USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 484 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 67 CYS SG : rot -101:sc= -3.84 USER MOD Set 1.2: A 72 MET CE :methyl 136:sc= -1.78 (180deg=-2.41) USER MOD Set 2.1: A 59 CYS SG : rot -134:sc= -1.94! USER MOD Set 2.2: A 62 CYS SG : rot 180:sc= 0.129 USER MOD Set 3.1: A 36 GLN : amide:sc= 0 K(o=-7.5,f=-8.3) USER MOD Set 3.2: A 39 ASN : amide:sc= -7.54! C(o=-7.5!,f=-12!) USER MOD Set 4.1: A 18 HIS :FLIP no HE2:sc= -4.16 F(o=-7.1!,f=-4.1) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 154:sc= 0.0249 (180deg=0) USER MOD Set 5.1: A 7 CYS SG : rot 79:sc= -6.1! USER MOD Set 5.2: A 10 CYS SG : rot 83:sc= -6.8! USER MOD Set 5.3: A 24 CYS SG : rot 90:sc= -0.766 USER MOD Set 5.4: A 27 CYS SG : rot 128:sc= -3.56! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.91) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -160:sc= -0.467 USER MOD Single : A 17 TYR OH : rot -81:sc= 0.824 USER MOD Single : A 19 TYR OH : rot -139:sc= 0.862 USER MOD Single : A 23 SER OG : rot 110:sc= -1.23 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -90:sc= 0.723 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 41 TYR OH : rot 70:sc= -2.17 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.74! C(o=-2.7!,f=-2.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 140:sc= 0.58 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 162:sc= -2.98! USER MOD Single : A 73 MET CE :methyl 177:sc= -1.13 (180deg=-1.35) USER MOD Single : A 74 LYS NZ :NH3+ 134:sc= -0.0339 (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -8.371 -12.049 -13.902 1.00 0.00 N ATOM 72 CA ARG A 5 -7.803 -10.749 -13.441 1.00 0.00 C ATOM 73 C ARG A 5 -7.162 -10.946 -12.091 1.00 0.00 C ATOM 74 O ARG A 5 -7.259 -12.006 -11.512 1.00 0.00 O ATOM 75 CB ARG A 5 -8.932 -9.707 -13.336 1.00 0.00 C ATOM 76 CG ARG A 5 -9.889 -9.872 -14.546 1.00 0.00 C ATOM 77 CD ARG A 5 -10.837 -11.093 -14.346 1.00 0.00 C ATOM 78 NE ARG A 5 -12.218 -10.692 -14.739 1.00 0.00 N ATOM 79 CZ ARG A 5 -12.427 -10.184 -15.923 1.00 0.00 C ATOM 80 NH1 ARG A 5 -11.875 -10.754 -16.960 1.00 0.00 N ATOM 81 NH2 ARG A 5 -13.183 -9.125 -16.032 1.00 0.00 N ATOM 0 HA ARG A 5 -7.056 -10.396 -14.151 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.480 -9.839 -12.403 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.514 -8.700 -13.321 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.480 -8.965 -14.673 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.308 -10.004 -15.459 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.501 -11.936 -14.950 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.819 -11.419 -13.306 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.994 -10.814 -14.088 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.292 -11.582 -16.837 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.027 -10.371 -17.893 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.600 -8.708 -15.200 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.357 -8.715 -16.950 1.00 0.00 H new ATOM 95 N TYR A 6 -6.524 -9.932 -11.592 1.00 0.00 N ATOM 96 CA TYR A 6 -5.866 -10.077 -10.261 1.00 0.00 C ATOM 97 C TYR A 6 -5.768 -8.746 -9.530 1.00 0.00 C ATOM 98 O TYR A 6 -6.234 -7.740 -10.016 1.00 0.00 O ATOM 99 CB TYR A 6 -4.440 -10.612 -10.516 1.00 0.00 C ATOM 100 CG TYR A 6 -4.470 -11.648 -11.644 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.825 -12.955 -11.385 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.125 -11.293 -12.932 1.00 0.00 C ATOM 103 CE1 TYR A 6 -4.830 -13.891 -12.393 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.125 -12.232 -13.940 1.00 0.00 C ATOM 105 CZ TYR A 6 -4.477 -13.539 -13.677 1.00 0.00 C ATOM 106 OH TYR A 6 -4.467 -14.481 -14.685 1.00 0.00 O ATOM 0 H TYR A 6 -6.427 -9.019 -12.036 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.455 -10.751 -9.639 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.775 -9.790 -10.782 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.042 -11.062 -9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.101 -13.246 -10.382 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.853 -10.271 -13.152 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.113 -14.910 -12.176 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.847 -11.943 -14.943 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.195 -14.058 -15.526 1.00 0.00 H new ATOM 116 N CYS A 7 -5.153 -8.768 -8.359 1.00 0.00 N ATOM 117 CA CYS A 7 -5.014 -7.533 -7.592 1.00 0.00 C ATOM 118 C CYS A 7 -4.318 -6.497 -8.468 1.00 0.00 C ATOM 119 O CYS A 7 -3.109 -6.374 -8.472 1.00 0.00 O ATOM 120 CB CYS A 7 -4.179 -7.861 -6.328 1.00 0.00 C ATOM 121 SG CYS A 7 -2.992 -6.695 -5.796 1.00 0.00 S ATOM 0 H CYS A 7 -4.751 -9.599 -7.925 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.979 -7.128 -7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.873 -8.028 -5.505 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.662 -8.804 -6.506 1.00 0.00 H new ATOM 0 HG CYS A 7 -3.587 -5.730 -5.160 1.00 0.00 H new ATOM 126 N ALA A 8 -5.127 -5.786 -9.209 1.00 0.00 N ATOM 127 CA ALA A 8 -4.610 -4.735 -10.127 1.00 0.00 C ATOM 128 C ALA A 8 -3.490 -3.896 -9.499 1.00 0.00 C ATOM 129 O ALA A 8 -2.769 -3.212 -10.196 1.00 0.00 O ATOM 130 CB ALA A 8 -5.810 -3.787 -10.468 1.00 0.00 C ATOM 0 H ALA A 8 -6.141 -5.893 -9.215 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.192 -5.221 -11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.472 -3.000 -11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.602 -4.361 -10.950 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.193 -3.340 -9.550 1.00 0.00 H new ATOM 136 N VAL A 9 -3.330 -3.993 -8.206 1.00 0.00 N ATOM 137 CA VAL A 9 -2.249 -3.181 -7.532 1.00 0.00 C ATOM 138 C VAL A 9 -0.966 -3.910 -7.156 1.00 0.00 C ATOM 139 O VAL A 9 0.109 -3.390 -7.377 1.00 0.00 O ATOM 140 CB VAL A 9 -2.809 -2.657 -6.186 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.824 -1.605 -5.603 1.00 0.00 C ATOM 142 CG2 VAL A 9 -4.184 -2.015 -6.378 1.00 0.00 C ATOM 0 H VAL A 9 -3.885 -4.585 -7.588 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.989 -2.428 -8.276 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.916 -3.497 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.211 -1.231 -4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.851 -2.069 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.719 -0.777 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.555 -1.655 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.101 -1.178 -7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.877 -2.753 -6.781 1.00 0.00 H new ATOM 152 N CYS A 10 -1.059 -5.080 -6.602 1.00 0.00 N ATOM 153 CA CYS A 10 0.232 -5.750 -6.226 1.00 0.00 C ATOM 154 C CYS A 10 0.242 -7.318 -5.888 1.00 0.00 C ATOM 155 O CYS A 10 1.115 -8.016 -6.356 1.00 0.00 O ATOM 156 CB CYS A 10 0.601 -4.969 -4.925 1.00 0.00 C ATOM 157 SG CYS A 10 -0.813 -4.192 -4.023 1.00 0.00 S ATOM 0 H CYS A 10 -1.919 -5.589 -6.397 1.00 0.00 H new ATOM 0 HA CYS A 10 0.901 -5.716 -7.086 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.109 -5.653 -4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.316 -4.188 -5.184 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.379 -5.078 -3.258 1.00 0.00 H new ATOM 162 N ASN A 11 -0.698 -7.835 -5.115 1.00 0.00 N ATOM 163 CA ASN A 11 -0.655 -9.286 -4.805 1.00 0.00 C ATOM 164 C ASN A 11 -1.011 -10.176 -5.978 1.00 0.00 C ATOM 165 O ASN A 11 -0.177 -10.483 -6.806 1.00 0.00 O ATOM 166 CB ASN A 11 -1.643 -9.551 -3.650 1.00 0.00 C ATOM 167 CG ASN A 11 -1.666 -11.050 -3.331 1.00 0.00 C ATOM 168 OD1 ASN A 11 -0.658 -11.641 -3.002 1.00 0.00 O ATOM 169 ND2 ASN A 11 -2.795 -11.698 -3.420 1.00 0.00 N ATOM 0 H ASN A 11 -1.472 -7.316 -4.700 1.00 0.00 H new ATOM 0 HA ASN A 11 0.372 -9.534 -4.539 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.347 -8.985 -2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.641 -9.212 -3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.828 -12.696 -3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.645 -11.206 -3.696 1.00 0.00 H new ATOM 176 N ASP A 12 -2.238 -10.570 -6.029 1.00 0.00 N ATOM 177 CA ASP A 12 -2.670 -11.446 -7.138 1.00 0.00 C ATOM 178 C ASP A 12 -4.183 -11.617 -7.133 1.00 0.00 C ATOM 179 O ASP A 12 -4.893 -10.710 -6.766 1.00 0.00 O ATOM 180 CB ASP A 12 -2.007 -12.821 -6.951 1.00 0.00 C ATOM 181 CG ASP A 12 -2.039 -13.593 -8.274 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.854 -12.941 -9.287 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.245 -14.793 -8.195 1.00 0.00 O ATOM 0 H ASP A 12 -2.962 -10.326 -5.354 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.377 -10.997 -8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.977 -12.697 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.528 -13.385 -6.177 1.00 0.00 H new ATOM 188 N TYR A 13 -4.650 -12.803 -7.523 1.00 0.00 N ATOM 189 CA TYR A 13 -6.131 -13.059 -7.554 1.00 0.00 C ATOM 190 C TYR A 13 -6.886 -12.211 -6.546 1.00 0.00 C ATOM 191 O TYR A 13 -6.993 -12.543 -5.382 1.00 0.00 O ATOM 192 CB TYR A 13 -6.421 -14.511 -7.237 1.00 0.00 C ATOM 193 CG TYR A 13 -5.583 -15.449 -8.128 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.972 -15.747 -9.433 1.00 0.00 C ATOM 195 CD2 TYR A 13 -4.463 -16.069 -7.612 1.00 0.00 C ATOM 196 CE1 TYR A 13 -5.255 -16.655 -10.185 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.748 -16.974 -8.371 1.00 0.00 C ATOM 198 CZ TYR A 13 -4.138 -17.272 -9.660 1.00 0.00 C ATOM 199 OH TYR A 13 -3.421 -18.179 -10.414 1.00 0.00 O ATOM 0 H TYR A 13 -4.069 -13.588 -7.816 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.464 -12.800 -8.559 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.202 -14.709 -6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.482 -14.714 -7.385 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.840 -15.264 -9.858 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.143 -15.844 -6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.570 -16.884 -11.192 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.876 -17.453 -7.952 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.665 -18.516 -9.889 1.00 0.00 H new ATOM 209 N ALA A 14 -7.386 -11.140 -7.031 1.00 0.00 N ATOM 210 CA ALA A 14 -8.150 -10.205 -6.172 1.00 0.00 C ATOM 211 C ALA A 14 -9.291 -10.922 -5.468 1.00 0.00 C ATOM 212 O ALA A 14 -9.859 -11.861 -5.991 1.00 0.00 O ATOM 213 CB ALA A 14 -8.730 -9.093 -7.083 1.00 0.00 C ATOM 0 H ALA A 14 -7.303 -10.855 -8.007 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.491 -9.788 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.299 -8.387 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.915 -8.569 -7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.385 -9.540 -7.831 1.00 0.00 H new ATOM 219 N SER A 15 -9.604 -10.468 -4.290 1.00 0.00 N ATOM 220 CA SER A 15 -10.706 -11.109 -3.539 1.00 0.00 C ATOM 221 C SER A 15 -12.042 -10.828 -4.218 1.00 0.00 C ATOM 222 O SER A 15 -13.034 -11.468 -3.932 1.00 0.00 O ATOM 223 CB SER A 15 -10.727 -10.529 -2.112 1.00 0.00 C ATOM 224 OG SER A 15 -9.766 -11.303 -1.411 1.00 0.00 O ATOM 0 H SER A 15 -9.147 -9.687 -3.820 1.00 0.00 H new ATOM 0 HA SER A 15 -10.549 -12.187 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.467 -9.471 -2.108 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.715 -10.616 -1.661 1.00 0.00 H new ATOM 0 HG SER A 15 -9.928 -11.231 -0.447 1.00 0.00 H new ATOM 230 N GLY A 16 -12.042 -9.866 -5.112 1.00 0.00 N ATOM 231 CA GLY A 16 -13.313 -9.521 -5.828 1.00 0.00 C ATOM 232 C GLY A 16 -13.320 -8.046 -6.237 1.00 0.00 C ATOM 233 O GLY A 16 -12.332 -7.353 -6.109 1.00 0.00 O ATOM 0 H GLY A 16 -11.228 -9.311 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.420 -10.149 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.167 -9.729 -5.184 1.00 0.00 H new ATOM 237 N TYR A 17 -14.445 -7.604 -6.729 1.00 0.00 N ATOM 238 CA TYR A 17 -14.568 -6.182 -7.160 1.00 0.00 C ATOM 239 C TYR A 17 -14.872 -5.283 -5.950 1.00 0.00 C ATOM 240 O TYR A 17 -15.655 -5.642 -5.093 1.00 0.00 O ATOM 241 CB TYR A 17 -15.748 -6.104 -8.197 1.00 0.00 C ATOM 242 CG TYR A 17 -15.288 -5.430 -9.511 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.143 -5.854 -10.170 1.00 0.00 C ATOM 244 CD2 TYR A 17 -16.031 -4.404 -10.063 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.757 -5.257 -11.355 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.642 -3.813 -11.249 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.505 -4.237 -11.904 1.00 0.00 C ATOM 248 OH TYR A 17 -14.132 -3.663 -13.102 1.00 0.00 O ATOM 0 H TYR A 17 -15.286 -8.168 -6.851 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.636 -5.838 -7.609 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -16.118 -7.107 -8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.578 -5.543 -7.767 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.550 -6.655 -9.754 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.924 -4.061 -9.562 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.861 -5.593 -11.856 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.233 -3.012 -11.667 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.429 -3.000 -12.942 1.00 0.00 H new ATOM 258 N HIS A 18 -14.245 -4.128 -5.907 1.00 0.00 N ATOM 259 CA HIS A 18 -14.485 -3.193 -4.762 1.00 0.00 C ATOM 260 C HIS A 18 -14.443 -1.737 -5.223 1.00 0.00 C ATOM 261 O HIS A 18 -15.316 -0.953 -4.901 1.00 0.00 O ATOM 262 CB HIS A 18 -13.366 -3.404 -3.711 1.00 0.00 C ATOM 263 CG HIS A 18 -13.049 -4.894 -3.580 1.00 0.00 C ATOM 264 ND1 HIS A 18 -13.859 -5.937 -3.172 1.00 0.00 N flip ATOM 265 CD2 HIS A 18 -11.937 -5.412 -3.823 1.00 0.00 C flip ATOM 266 CE1 HIS A 18 -13.141 -7.095 -3.195 1.00 0.00 C flip ATOM 267 NE2 HIS A 18 -11.952 -6.663 -3.615 1.00 0.00 N flip ATOM 0 H HIS A 18 -13.584 -3.796 -6.609 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.469 -3.401 -4.342 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.470 -2.857 -4.006 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.680 -3.004 -2.747 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -14.838 -5.853 -2.898 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.073 -4.863 -4.167 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.453 -8.097 -2.940 1.00 0.00 H new ATOM 275 N TYR A 19 -13.423 -1.403 -5.971 1.00 0.00 N ATOM 276 CA TYR A 19 -13.291 -0.001 -6.470 1.00 0.00 C ATOM 277 C TYR A 19 -13.849 0.112 -7.868 1.00 0.00 C ATOM 278 O TYR A 19 -14.252 1.169 -8.311 1.00 0.00 O ATOM 279 CB TYR A 19 -11.791 0.313 -6.559 1.00 0.00 C ATOM 280 CG TYR A 19 -11.234 0.407 -5.158 1.00 0.00 C ATOM 281 CD1 TYR A 19 -11.361 1.544 -4.447 1.00 0.00 C ATOM 282 CD2 TYR A 19 -10.749 -0.710 -4.550 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.052 1.571 -3.116 1.00 0.00 C ATOM 284 CE2 TYR A 19 -10.433 -0.699 -3.217 1.00 0.00 C ATOM 285 CZ TYR A 19 -10.583 0.444 -2.484 1.00 0.00 C ATOM 286 OH TYR A 19 -10.274 0.466 -1.140 1.00 0.00 O ATOM 0 H TYR A 19 -12.678 -2.038 -6.257 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.824 0.676 -5.802 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.274 -0.466 -7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.632 1.250 -7.093 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.710 2.443 -4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.612 -1.614 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.177 2.486 -2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.064 -1.597 -2.744 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.449 -0.040 -0.986 1.00 0.00 H new ATOM 296 N GLY A 20 -13.859 -0.995 -8.528 1.00 0.00 N ATOM 297 CA GLY A 20 -14.370 -1.060 -9.920 1.00 0.00 C ATOM 298 C GLY A 20 -13.340 -1.836 -10.707 1.00 0.00 C ATOM 299 O GLY A 20 -13.308 -1.822 -11.918 1.00 0.00 O ATOM 0 H GLY A 20 -13.527 -1.885 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.341 -1.553 -9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.505 -0.060 -10.333 1.00 0.00 H new ATOM 303 N VAL A 21 -12.492 -2.491 -9.951 1.00 0.00 N ATOM 304 CA VAL A 21 -11.409 -3.308 -10.536 1.00 0.00 C ATOM 305 C VAL A 21 -11.192 -4.534 -9.690 1.00 0.00 C ATOM 306 O VAL A 21 -11.430 -4.520 -8.500 1.00 0.00 O ATOM 307 CB VAL A 21 -10.061 -2.484 -10.482 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.867 -1.615 -11.758 1.00 0.00 C ATOM 309 CG2 VAL A 21 -10.081 -1.585 -9.226 1.00 0.00 C ATOM 0 H VAL A 21 -12.515 -2.487 -8.931 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.681 -3.575 -11.557 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.225 -3.182 -10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.930 -1.064 -11.684 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.840 -2.260 -12.637 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.695 -0.912 -11.849 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.156 -1.010 -9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.930 -0.903 -9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.171 -2.207 -8.335 1.00 0.00 H new ATOM 319 N TRP A 22 -10.751 -5.568 -10.308 1.00 0.00 N ATOM 320 CA TRP A 22 -10.507 -6.792 -9.534 1.00 0.00 C ATOM 321 C TRP A 22 -9.283 -6.493 -8.702 1.00 0.00 C ATOM 322 O TRP A 22 -8.187 -6.891 -9.031 1.00 0.00 O ATOM 323 CB TRP A 22 -10.227 -7.942 -10.509 1.00 0.00 C ATOM 324 CG TRP A 22 -11.423 -8.102 -11.439 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.462 -7.638 -12.670 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.540 -8.710 -11.123 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.683 -7.997 -13.109 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.435 -8.688 -12.178 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.890 -9.325 -9.937 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.675 -9.279 -12.043 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -14.131 -9.916 -9.805 1.00 0.00 C ATOM 332 CH2 TRP A 22 -15.023 -9.893 -10.858 1.00 0.00 C ATOM 0 H TRP A 22 -10.549 -5.623 -11.306 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.352 -7.080 -8.909 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.326 -7.736 -11.086 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.050 -8.867 -9.960 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.695 -7.096 -13.203 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -13.023 -7.778 -14.046 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.193 -9.344 -9.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.374 -9.261 -12.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.404 -10.397 -8.877 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.993 -10.356 -10.754 1.00 0.00 H new ATOM 343 N SER A 23 -9.500 -5.769 -7.626 1.00 0.00 N ATOM 344 CA SER A 23 -8.371 -5.393 -6.729 1.00 0.00 C ATOM 345 C SER A 23 -8.219 -6.290 -5.512 1.00 0.00 C ATOM 346 O SER A 23 -9.093 -7.047 -5.147 1.00 0.00 O ATOM 347 CB SER A 23 -8.618 -3.932 -6.240 1.00 0.00 C ATOM 348 OG SER A 23 -9.967 -3.664 -6.596 1.00 0.00 O ATOM 0 H SER A 23 -10.415 -5.424 -7.335 1.00 0.00 H new ATOM 0 HA SER A 23 -7.452 -5.498 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.465 -3.842 -5.165 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.934 -3.232 -6.719 1.00 0.00 H new ATOM 0 HG SER A 23 -10.516 -3.616 -5.786 1.00 0.00 H new ATOM 354 N CYS A 24 -7.086 -6.140 -4.917 1.00 0.00 N ATOM 355 CA CYS A 24 -6.731 -6.907 -3.722 1.00 0.00 C ATOM 356 C CYS A 24 -7.785 -6.803 -2.611 1.00 0.00 C ATOM 357 O CYS A 24 -8.861 -6.271 -2.796 1.00 0.00 O ATOM 358 CB CYS A 24 -5.404 -6.271 -3.227 1.00 0.00 C ATOM 359 SG CYS A 24 -4.945 -4.649 -3.954 1.00 0.00 S ATOM 0 H CYS A 24 -6.365 -5.489 -5.227 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.652 -7.967 -3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.466 -6.154 -2.145 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.595 -6.974 -3.426 1.00 0.00 H new ATOM 0 HG CYS A 24 -5.447 -3.692 -3.231 1.00 0.00 H new ATOM 364 N GLU A 25 -7.414 -7.338 -1.461 1.00 0.00 N ATOM 365 CA GLU A 25 -8.315 -7.322 -0.274 1.00 0.00 C ATOM 366 C GLU A 25 -7.694 -6.448 0.807 1.00 0.00 C ATOM 367 O GLU A 25 -8.304 -5.514 1.287 1.00 0.00 O ATOM 368 CB GLU A 25 -8.439 -8.763 0.261 1.00 0.00 C ATOM 369 CG GLU A 25 -9.603 -8.843 1.257 1.00 0.00 C ATOM 370 CD GLU A 25 -9.208 -8.140 2.558 1.00 0.00 C ATOM 371 OE1 GLU A 25 -8.161 -8.498 3.072 1.00 0.00 O ATOM 372 OE2 GLU A 25 -9.976 -7.281 2.963 1.00 0.00 O ATOM 0 H GLU A 25 -6.512 -7.788 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.295 -6.932 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.605 -9.455 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.510 -9.063 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.492 -8.375 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.855 -9.885 1.456 1.00 0.00 H new ATOM 379 N GLY A 26 -6.480 -6.777 1.168 1.00 0.00 N ATOM 380 CA GLY A 26 -5.778 -5.982 2.218 1.00 0.00 C ATOM 381 C GLY A 26 -5.197 -4.725 1.584 1.00 0.00 C ATOM 382 O GLY A 26 -5.479 -3.625 2.017 1.00 0.00 O ATOM 0 H GLY A 26 -5.948 -7.557 0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.472 -5.715 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.985 -6.576 2.672 1.00 0.00 H new ATOM 386 N CYS A 27 -4.383 -4.904 0.568 1.00 0.00 N ATOM 387 CA CYS A 27 -3.796 -3.718 -0.088 1.00 0.00 C ATOM 388 C CYS A 27 -4.946 -2.806 -0.533 1.00 0.00 C ATOM 389 O CYS A 27 -4.790 -1.617 -0.663 1.00 0.00 O ATOM 390 CB CYS A 27 -2.926 -4.181 -1.315 1.00 0.00 C ATOM 391 SG CYS A 27 -2.805 -5.972 -1.705 1.00 0.00 S ATOM 0 H CYS A 27 -4.111 -5.807 0.179 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.147 -3.169 0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.315 -3.678 -2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.913 -3.811 -1.157 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.096 -6.164 -2.957 1.00 0.00 H new ATOM 396 N LYS A 28 -6.077 -3.400 -0.777 1.00 0.00 N ATOM 397 CA LYS A 28 -7.236 -2.586 -1.203 1.00 0.00 C ATOM 398 C LYS A 28 -7.539 -1.617 -0.065 1.00 0.00 C ATOM 399 O LYS A 28 -7.960 -0.498 -0.278 1.00 0.00 O ATOM 400 CB LYS A 28 -8.448 -3.573 -1.472 1.00 0.00 C ATOM 401 CG LYS A 28 -9.668 -3.296 -0.536 1.00 0.00 C ATOM 402 CD LYS A 28 -10.870 -4.132 -1.008 1.00 0.00 C ATOM 403 CE LYS A 28 -11.885 -4.252 0.136 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.112 -4.961 -0.326 1.00 0.00 N ATOM 0 H LYS A 28 -6.245 -4.403 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.047 -2.019 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.764 -3.480 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.113 -4.601 -1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.416 -3.549 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.919 -2.235 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.336 -3.663 -1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.539 -5.122 -1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.438 -4.792 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.148 -3.260 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.575 -5.419 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.766 -4.277 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.852 -5.682 -1.029 1.00 0.00 H new ATOM 418 N ALA A 29 -7.309 -2.092 1.131 1.00 0.00 N ATOM 419 CA ALA A 29 -7.558 -1.258 2.319 1.00 0.00 C ATOM 420 C ALA A 29 -6.612 -0.063 2.318 1.00 0.00 C ATOM 421 O ALA A 29 -7.002 1.047 2.617 1.00 0.00 O ATOM 422 CB ALA A 29 -7.297 -2.128 3.573 1.00 0.00 C ATOM 0 H ALA A 29 -6.957 -3.029 1.326 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.584 -0.890 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.474 -1.535 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.969 -2.986 3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.264 -2.476 3.566 1.00 0.00 H new ATOM 428 N PHE A 30 -5.377 -0.321 1.978 1.00 0.00 N ATOM 429 CA PHE A 30 -4.383 0.777 1.946 1.00 0.00 C ATOM 430 C PHE A 30 -4.883 1.893 1.059 1.00 0.00 C ATOM 431 O PHE A 30 -4.895 3.045 1.439 1.00 0.00 O ATOM 432 CB PHE A 30 -3.052 0.213 1.356 1.00 0.00 C ATOM 433 CG PHE A 30 -2.103 1.380 0.957 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.308 2.117 -0.220 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.050 1.733 1.785 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.473 3.184 -0.535 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.227 2.796 1.459 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.442 3.513 0.304 1.00 0.00 C ATOM 0 H PHE A 30 -5.020 -1.242 1.723 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.224 1.165 2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.563 -0.428 2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.266 -0.406 0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.118 1.854 -0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.870 1.174 2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.637 3.752 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.588 3.065 2.114 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.207 4.341 0.058 1.00 0.00 H new ATOM 448 N PHE A 31 -5.291 1.518 -0.101 1.00 0.00 N ATOM 449 CA PHE A 31 -5.805 2.526 -1.065 1.00 0.00 C ATOM 450 C PHE A 31 -6.889 3.402 -0.462 1.00 0.00 C ATOM 451 O PHE A 31 -6.843 4.589 -0.593 1.00 0.00 O ATOM 452 CB PHE A 31 -6.389 1.781 -2.277 1.00 0.00 C ATOM 453 CG PHE A 31 -6.865 2.800 -3.334 1.00 0.00 C ATOM 454 CD1 PHE A 31 -5.999 3.733 -3.861 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.185 2.823 -3.734 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.448 4.669 -4.757 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.643 3.753 -4.618 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.777 4.681 -5.143 1.00 0.00 C ATOM 0 H PHE A 31 -5.295 0.554 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.977 3.175 -1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.636 1.121 -2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.222 1.152 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.960 3.727 -3.567 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.870 2.088 -3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.763 5.399 -5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.684 3.761 -4.905 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.131 5.415 -5.852 1.00 0.00 H new ATOM 468 N LYS A 32 -7.844 2.807 0.182 1.00 0.00 N ATOM 469 CA LYS A 32 -8.931 3.636 0.790 1.00 0.00 C ATOM 470 C LYS A 32 -8.418 4.422 1.973 1.00 0.00 C ATOM 471 O LYS A 32 -8.850 5.530 2.223 1.00 0.00 O ATOM 472 CB LYS A 32 -10.091 2.677 1.240 1.00 0.00 C ATOM 473 CG LYS A 32 -11.439 3.197 0.715 1.00 0.00 C ATOM 474 CD LYS A 32 -12.564 2.324 1.274 1.00 0.00 C ATOM 475 CE LYS A 32 -13.911 2.876 0.801 1.00 0.00 C ATOM 476 NZ LYS A 32 -15.026 2.262 1.574 1.00 0.00 N ATOM 0 H LYS A 32 -7.927 1.799 0.317 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.295 4.352 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.909 1.671 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.117 2.610 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.584 4.235 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.452 3.175 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.442 1.294 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.524 2.312 2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.930 3.959 0.922 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.042 2.672 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.933 2.647 1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.017 1.231 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.908 2.478 2.584 1.00 0.00 H new ATOM 490 N ARG A 33 -7.518 3.848 2.673 1.00 0.00 N ATOM 491 CA ARG A 33 -6.967 4.544 3.838 1.00 0.00 C ATOM 492 C ARG A 33 -6.040 5.655 3.402 1.00 0.00 C ATOM 493 O ARG A 33 -5.620 6.459 4.211 1.00 0.00 O ATOM 494 CB ARG A 33 -6.144 3.526 4.633 1.00 0.00 C ATOM 495 CG ARG A 33 -5.511 4.206 5.895 1.00 0.00 C ATOM 496 CD ARG A 33 -4.032 4.569 5.627 1.00 0.00 C ATOM 497 NE ARG A 33 -3.180 3.389 5.950 1.00 0.00 N ATOM 498 CZ ARG A 33 -2.851 3.153 7.193 1.00 0.00 C ATOM 499 NH1 ARG A 33 -3.498 3.770 8.143 1.00 0.00 N ATOM 500 NH2 ARG A 33 -1.887 2.310 7.441 1.00 0.00 N ATOM 0 H ARG A 33 -7.134 2.921 2.492 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.778 4.968 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.779 2.695 4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.358 3.111 4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.072 5.105 6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.578 3.534 6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.897 4.857 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.738 5.425 6.235 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.856 2.770 5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.246 4.423 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.256 3.599 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.404 1.847 6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.617 2.114 8.405 1.00 0.00 H new ATOM 514 N SER A 34 -5.727 5.687 2.116 1.00 0.00 N ATOM 515 CA SER A 34 -4.801 6.762 1.605 1.00 0.00 C ATOM 516 C SER A 34 -5.355 7.656 0.468 1.00 0.00 C ATOM 517 O SER A 34 -5.314 8.862 0.600 1.00 0.00 O ATOM 518 CB SER A 34 -3.551 6.044 1.055 1.00 0.00 C ATOM 519 OG SER A 34 -4.076 4.950 0.320 1.00 0.00 O ATOM 0 H SER A 34 -6.065 5.029 1.414 1.00 0.00 H new ATOM 0 HA SER A 34 -4.621 7.433 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.959 6.704 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.898 5.707 1.860 1.00 0.00 H new ATOM 0 HG SER A 34 -4.160 4.171 0.908 1.00 0.00 H new ATOM 525 N ILE A 35 -5.900 7.054 -0.604 1.00 0.00 N ATOM 526 CA ILE A 35 -6.447 7.892 -1.770 1.00 0.00 C ATOM 527 C ILE A 35 -5.783 9.266 -1.820 1.00 0.00 C ATOM 528 O ILE A 35 -4.604 9.374 -1.565 1.00 0.00 O ATOM 529 CB ILE A 35 -8.000 8.055 -1.731 1.00 0.00 C ATOM 530 CG1 ILE A 35 -8.679 6.745 -1.297 1.00 0.00 C ATOM 531 CG2 ILE A 35 -8.504 8.390 -3.186 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.524 5.684 -2.422 1.00 0.00 C ATOM 0 H ILE A 35 -5.988 6.044 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.202 7.338 -2.676 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.248 8.846 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.231 6.379 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.735 6.921 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.588 8.507 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.041 9.316 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.232 7.579 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.005 4.755 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.993 6.051 -3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.465 5.501 -2.606 1.00 0.00 H new ATOM 544 N GLN A 36 -6.548 10.280 -2.110 1.00 0.00 N ATOM 545 CA GLN A 36 -5.975 11.647 -2.185 1.00 0.00 C ATOM 546 C GLN A 36 -4.757 11.685 -3.109 1.00 0.00 C ATOM 547 O GLN A 36 -3.972 10.770 -3.169 1.00 0.00 O ATOM 548 CB GLN A 36 -5.542 12.096 -0.792 1.00 0.00 C ATOM 549 CG GLN A 36 -6.781 12.321 0.077 1.00 0.00 C ATOM 550 CD GLN A 36 -6.371 13.044 1.364 1.00 0.00 C ATOM 551 OE1 GLN A 36 -5.384 12.710 1.988 1.00 0.00 O ATOM 552 NE2 GLN A 36 -7.100 14.038 1.792 1.00 0.00 N ATOM 0 H GLN A 36 -7.549 10.218 -2.299 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.742 12.312 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.898 11.342 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.959 13.015 -0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.518 12.912 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.250 11.367 0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.930 14.323 1.272 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.840 14.530 2.647 1.00 0.00 H new ATOM 561 N GLY A 37 -4.617 12.758 -3.802 1.00 0.00 N ATOM 562 CA GLY A 37 -3.453 12.888 -4.738 1.00 0.00 C ATOM 563 C GLY A 37 -2.356 13.683 -4.053 1.00 0.00 C ATOM 564 O GLY A 37 -1.315 13.161 -3.712 1.00 0.00 O ATOM 0 H GLY A 37 -5.247 13.559 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.084 11.902 -5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.762 13.387 -5.657 1.00 0.00 H new ATOM 568 N HIS A 38 -2.625 14.941 -3.872 1.00 0.00 N ATOM 569 CA HIS A 38 -1.630 15.821 -3.210 1.00 0.00 C ATOM 570 C HIS A 38 -1.258 15.265 -1.840 1.00 0.00 C ATOM 571 O HIS A 38 -1.794 15.675 -0.829 1.00 0.00 O ATOM 572 CB HIS A 38 -2.256 17.212 -3.031 1.00 0.00 C ATOM 573 CG HIS A 38 -2.381 17.889 -4.398 1.00 0.00 C ATOM 574 ND1 HIS A 38 -1.421 18.175 -5.144 1.00 0.00 N ATOM 575 CD2 HIS A 38 -3.511 18.307 -5.077 1.00 0.00 C ATOM 576 CE1 HIS A 38 -1.813 18.727 -6.216 1.00 0.00 C ATOM 577 NE2 HIS A 38 -3.139 18.856 -6.266 1.00 0.00 N ATOM 0 H HIS A 38 -3.492 15.399 -4.154 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.731 15.877 -3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.237 17.125 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.640 17.818 -2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.526 18.213 -4.721 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.148 19.056 -7.000 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.721 19.259 -7.000 1.00 0.00 H new ATOM 585 N ASN A 39 -0.340 14.337 -1.839 1.00 0.00 N ATOM 586 CA ASN A 39 0.111 13.712 -0.562 1.00 0.00 C ATOM 587 C ASN A 39 1.627 13.698 -0.488 1.00 0.00 C ATOM 588 O ASN A 39 2.298 13.766 -1.498 1.00 0.00 O ATOM 589 CB ASN A 39 -0.397 12.287 -0.547 1.00 0.00 C ATOM 590 CG ASN A 39 -1.900 12.300 -0.687 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.446 12.342 -1.771 1.00 0.00 O ATOM 592 ND2 ASN A 39 -2.603 12.266 0.396 1.00 0.00 N ATOM 0 H ASN A 39 0.121 13.982 -2.676 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.273 14.278 0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.052 11.719 -1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.110 11.795 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.622 12.274 0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.140 12.231 1.304 1.00 0.00 H new ATOM 599 N ASP A 40 2.149 13.613 0.707 1.00 0.00 N ATOM 600 CA ASP A 40 3.629 13.597 0.851 1.00 0.00 C ATOM 601 C ASP A 40 4.182 12.295 0.392 1.00 0.00 C ATOM 602 O ASP A 40 5.355 12.007 0.521 1.00 0.00 O ATOM 603 CB ASP A 40 3.971 13.782 2.319 1.00 0.00 C ATOM 604 CG ASP A 40 3.573 15.190 2.763 1.00 0.00 C ATOM 605 OD1 ASP A 40 2.411 15.342 3.102 1.00 0.00 O ATOM 606 OD2 ASP A 40 4.453 16.034 2.738 1.00 0.00 O ATOM 0 H ASP A 40 1.621 13.555 1.578 1.00 0.00 H new ATOM 0 HA ASP A 40 4.058 14.397 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.449 13.038 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.038 13.628 2.477 1.00 0.00 H new ATOM 611 N TYR A 41 3.328 11.555 -0.127 1.00 0.00 N ATOM 612 CA TYR A 41 3.701 10.216 -0.643 1.00 0.00 C ATOM 613 C TYR A 41 4.855 10.330 -1.632 1.00 0.00 C ATOM 614 O TYR A 41 4.707 10.907 -2.689 1.00 0.00 O ATOM 615 CB TYR A 41 2.487 9.629 -1.394 1.00 0.00 C ATOM 616 CG TYR A 41 1.465 9.034 -0.411 1.00 0.00 C ATOM 617 CD1 TYR A 41 1.092 9.722 0.712 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.817 7.860 -0.721 1.00 0.00 C ATOM 619 CE1 TYR A 41 0.080 9.278 1.512 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.213 7.382 0.084 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.589 8.095 1.216 1.00 0.00 C ATOM 622 OH TYR A 41 -1.600 7.638 2.035 1.00 0.00 O ATOM 0 H TYR A 41 2.343 11.798 -0.236 1.00 0.00 H new ATOM 0 HA TYR A 41 3.999 9.582 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.012 10.408 -1.990 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.822 8.857 -2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.609 10.634 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.111 7.303 -1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.204 9.850 2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.718 6.461 -0.170 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.380 8.225 1.951 1.00 0.00 H new ATOM 632 N MET A 42 5.983 9.773 -1.282 1.00 0.00 N ATOM 633 CA MET A 42 7.146 9.850 -2.206 1.00 0.00 C ATOM 634 C MET A 42 8.142 8.735 -1.913 1.00 0.00 C ATOM 635 O MET A 42 8.422 8.419 -0.773 1.00 0.00 O ATOM 636 CB MET A 42 7.852 11.238 -2.018 1.00 0.00 C ATOM 637 CG MET A 42 7.538 12.157 -3.212 1.00 0.00 C ATOM 638 SD MET A 42 8.365 13.767 -3.259 1.00 0.00 S ATOM 639 CE MET A 42 9.862 13.231 -4.127 1.00 0.00 C ATOM 0 H MET A 42 6.147 9.274 -0.407 1.00 0.00 H new ATOM 0 HA MET A 42 6.792 9.739 -3.231 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.515 11.704 -1.092 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.929 11.098 -1.930 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.791 11.621 -4.126 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.462 12.330 -3.231 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.527 14.083 -4.265 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.369 12.466 -3.539 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.591 12.820 -5.100 1.00 0.00 H new ATOM 752 N ILE A 51 5.266 -0.689 -8.306 1.00 0.00 N ATOM 753 CA ILE A 51 5.229 -1.855 -7.352 1.00 0.00 C ATOM 754 C ILE A 51 5.000 -3.172 -8.083 1.00 0.00 C ATOM 755 O ILE A 51 4.847 -3.204 -9.287 1.00 0.00 O ATOM 756 CB ILE A 51 4.104 -1.580 -6.292 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.570 -2.068 -4.920 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.771 -2.314 -6.653 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.495 -1.766 -3.877 1.00 0.00 C ATOM 0 HA ILE A 51 6.192 -1.952 -6.851 1.00 0.00 H new ATOM 0 HB ILE A 51 3.916 -0.506 -6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.769 -3.139 -4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.504 -1.578 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.019 -2.097 -5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.417 -1.968 -7.624 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.947 -3.389 -6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.828 -2.114 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.318 -0.691 -3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.571 -2.277 -4.148 1.00 0.00 H new ATOM 771 N ASP A 52 4.990 -4.242 -7.331 1.00 0.00 N ATOM 772 CA ASP A 52 4.778 -5.576 -7.957 1.00 0.00 C ATOM 773 C ASP A 52 4.173 -6.561 -6.968 1.00 0.00 C ATOM 774 O ASP A 52 3.042 -6.959 -7.116 1.00 0.00 O ATOM 775 CB ASP A 52 6.148 -6.110 -8.415 1.00 0.00 C ATOM 776 CG ASP A 52 7.183 -5.852 -7.319 1.00 0.00 C ATOM 777 OD1 ASP A 52 7.580 -4.704 -7.209 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.520 -6.818 -6.654 1.00 0.00 O ATOM 0 H ASP A 52 5.119 -4.248 -6.319 1.00 0.00 H new ATOM 0 HA ASP A 52 4.090 -5.470 -8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.083 -7.177 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.451 -5.620 -9.340 1.00 0.00 H new ATOM 783 N LYS A 53 4.940 -6.944 -5.975 1.00 0.00 N ATOM 784 CA LYS A 53 4.405 -7.911 -4.970 1.00 0.00 C ATOM 785 C LYS A 53 5.145 -7.797 -3.633 1.00 0.00 C ATOM 786 O LYS A 53 6.328 -8.064 -3.550 1.00 0.00 O ATOM 787 CB LYS A 53 4.603 -9.339 -5.536 1.00 0.00 C ATOM 788 CG LYS A 53 3.588 -10.298 -4.892 1.00 0.00 C ATOM 789 CD LYS A 53 3.860 -10.405 -3.378 1.00 0.00 C ATOM 790 CE LYS A 53 3.255 -11.708 -2.841 1.00 0.00 C ATOM 791 NZ LYS A 53 3.562 -11.866 -1.391 1.00 0.00 N ATOM 0 H LYS A 53 5.899 -6.633 -5.819 1.00 0.00 H new ATOM 0 HA LYS A 53 3.352 -7.693 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.475 -9.332 -6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.618 -9.682 -5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.574 -9.938 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.660 -11.282 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.933 -10.384 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.428 -9.550 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.176 -11.704 -2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.652 -12.557 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.145 -12.753 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.593 -11.891 -1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.162 -11.065 -0.862 1.00 0.00 H new ATOM 805 N ASN A 54 4.428 -7.400 -2.612 1.00 0.00 N ATOM 806 CA ASN A 54 5.058 -7.263 -1.277 1.00 0.00 C ATOM 807 C ASN A 54 3.992 -7.282 -0.185 1.00 0.00 C ATOM 808 O ASN A 54 3.635 -8.329 0.319 1.00 0.00 O ATOM 809 CB ASN A 54 5.801 -5.917 -1.226 1.00 0.00 C ATOM 810 CG ASN A 54 7.086 -6.016 -2.052 1.00 0.00 C ATOM 811 OD1 ASN A 54 8.057 -6.619 -1.639 1.00 0.00 O ATOM 812 ND2 ASN A 54 7.135 -5.438 -3.222 1.00 0.00 N ATOM 0 H ASN A 54 3.436 -7.167 -2.651 1.00 0.00 H new ATOM 0 HA ASN A 54 5.747 -8.092 -1.114 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.165 -5.123 -1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.038 -5.658 -0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.985 -5.494 -3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.324 -4.930 -3.574 1.00 0.00 H new ATOM 819 N ARG A 55 3.495 -6.122 0.144 1.00 0.00 N ATOM 820 CA ARG A 55 2.447 -6.031 1.198 1.00 0.00 C ATOM 821 C ARG A 55 1.910 -4.614 1.289 1.00 0.00 C ATOM 822 O ARG A 55 0.882 -4.296 0.730 1.00 0.00 O ATOM 823 CB ARG A 55 3.063 -6.463 2.565 1.00 0.00 C ATOM 824 CG ARG A 55 1.924 -6.750 3.563 1.00 0.00 C ATOM 825 CD ARG A 55 2.507 -7.017 4.977 1.00 0.00 C ATOM 826 NE ARG A 55 2.400 -5.765 5.783 1.00 0.00 N ATOM 827 CZ ARG A 55 3.162 -5.607 6.833 1.00 0.00 C ATOM 828 NH1 ARG A 55 2.784 -6.123 7.970 1.00 0.00 N ATOM 829 NH2 ARG A 55 4.272 -4.931 6.711 1.00 0.00 N ATOM 0 H ARG A 55 3.770 -5.232 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 55 1.619 -6.693 0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.682 -7.351 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.712 -5.676 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.239 -5.903 3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.347 -7.613 3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.963 -7.827 5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.548 -7.331 4.903 1.00 0.00 H new ATOM 0 HE ARG A 55 1.737 -5.038 5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.907 -6.640 8.029 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.366 -6.010 8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.532 -4.536 5.807 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.879 -4.797 7.520 1.00 0.00 H new ATOM 843 N ARG A 56 2.618 -3.809 1.973 1.00 0.00 N ATOM 844 CA ARG A 56 2.206 -2.388 2.140 1.00 0.00 C ATOM 845 C ARG A 56 3.275 -1.619 2.899 1.00 0.00 C ATOM 846 O ARG A 56 3.017 -0.563 3.442 1.00 0.00 O ATOM 847 CB ARG A 56 0.888 -2.331 2.944 1.00 0.00 C ATOM 848 CG ARG A 56 1.138 -2.843 4.367 1.00 0.00 C ATOM 849 CD ARG A 56 -0.205 -3.166 5.028 1.00 0.00 C ATOM 850 NE ARG A 56 -1.159 -2.059 4.745 1.00 0.00 N ATOM 851 CZ ARG A 56 -2.405 -2.178 5.109 1.00 0.00 C ATOM 852 NH1 ARG A 56 -2.706 -2.061 6.373 1.00 0.00 N ATOM 853 NH2 ARG A 56 -3.310 -2.412 4.197 1.00 0.00 N ATOM 0 H ARG A 56 3.488 -4.061 2.442 1.00 0.00 H new ATOM 0 HA ARG A 56 2.068 -1.941 1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.511 -1.309 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.125 -2.937 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.768 -3.732 4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.672 -2.091 4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.597 -4.108 4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.076 -3.287 6.104 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.840 -1.214 4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.972 -1.879 7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.676 -2.151 6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.037 -2.499 3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.290 -2.508 4.464 1.00 0.00 H new ATOM 867 N LYS A 57 4.470 -2.174 2.922 1.00 0.00 N ATOM 868 CA LYS A 57 5.604 -1.504 3.643 1.00 0.00 C ATOM 869 C LYS A 57 6.683 -1.071 2.672 1.00 0.00 C ATOM 870 O LYS A 57 7.752 -0.649 3.068 1.00 0.00 O ATOM 871 CB LYS A 57 6.208 -2.509 4.637 1.00 0.00 C ATOM 872 CG LYS A 57 6.816 -3.683 3.863 1.00 0.00 C ATOM 873 CD LYS A 57 7.074 -4.848 4.830 1.00 0.00 C ATOM 874 CE LYS A 57 7.931 -4.357 6.004 1.00 0.00 C ATOM 875 NZ LYS A 57 8.550 -5.511 6.715 1.00 0.00 N ATOM 0 H LYS A 57 4.707 -3.059 2.474 1.00 0.00 H new ATOM 0 HA LYS A 57 5.224 -0.621 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.972 -2.023 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.439 -2.868 5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.141 -3.998 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.748 -3.377 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.128 -5.246 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.581 -5.661 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.709 -3.687 5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.315 -3.783 6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.127 -5.162 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.803 -6.135 7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.153 -6.042 6.055 1.00 0.00 H new ATOM 889 N SER A 58 6.385 -1.181 1.418 1.00 0.00 N ATOM 890 CA SER A 58 7.380 -0.779 0.393 1.00 0.00 C ATOM 891 C SER A 58 7.404 0.733 0.288 1.00 0.00 C ATOM 892 O SER A 58 8.279 1.384 0.823 1.00 0.00 O ATOM 893 CB SER A 58 6.955 -1.371 -0.963 1.00 0.00 C ATOM 894 OG SER A 58 5.557 -1.129 -1.023 1.00 0.00 O ATOM 0 H SER A 58 5.498 -1.531 1.055 1.00 0.00 H new ATOM 0 HA SER A 58 8.370 -1.143 0.669 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.479 -0.891 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.178 -2.436 -1.020 1.00 0.00 H new ATOM 0 HG SER A 58 5.311 -0.859 -1.932 1.00 0.00 H new ATOM 900 N CYS A 59 6.436 1.267 -0.406 1.00 0.00 N ATOM 901 CA CYS A 59 6.369 2.746 -0.564 1.00 0.00 C ATOM 902 C CYS A 59 4.929 3.172 -0.745 1.00 0.00 C ATOM 903 O CYS A 59 4.322 2.912 -1.762 1.00 0.00 O ATOM 904 CB CYS A 59 7.183 3.169 -1.798 1.00 0.00 C ATOM 905 SG CYS A 59 6.840 4.811 -2.493 1.00 0.00 S ATOM 0 H CYS A 59 5.692 0.745 -0.868 1.00 0.00 H new ATOM 0 HA CYS A 59 6.781 3.222 0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.240 3.127 -1.536 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.019 2.429 -2.581 1.00 0.00 H new ATOM 0 HG CYS A 59 6.726 4.720 -3.785 1.00 0.00 H new ATOM 910 N GLN A 60 4.401 3.805 0.256 1.00 0.00 N ATOM 911 CA GLN A 60 2.999 4.260 0.174 1.00 0.00 C ATOM 912 C GLN A 60 2.731 4.985 -1.139 1.00 0.00 C ATOM 913 O GLN A 60 1.618 5.009 -1.620 1.00 0.00 O ATOM 914 CB GLN A 60 2.746 5.231 1.343 1.00 0.00 C ATOM 915 CG GLN A 60 3.233 4.588 2.642 1.00 0.00 C ATOM 916 CD GLN A 60 2.713 5.398 3.833 1.00 0.00 C ATOM 917 OE1 GLN A 60 1.547 5.343 4.172 1.00 0.00 O ATOM 918 NE2 GLN A 60 3.542 6.160 4.492 1.00 0.00 N ATOM 0 H GLN A 60 4.882 4.026 1.128 1.00 0.00 H new ATOM 0 HA GLN A 60 2.338 3.395 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.269 6.172 1.170 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.684 5.465 1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.881 3.558 2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.322 4.554 2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.521 6.210 4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.211 6.706 5.287 1.00 0.00 H new ATOM 927 N ALA A 61 3.754 5.555 -1.712 1.00 0.00 N ATOM 928 CA ALA A 61 3.550 6.278 -2.997 1.00 0.00 C ATOM 929 C ALA A 61 3.540 5.342 -4.176 1.00 0.00 C ATOM 930 O ALA A 61 3.000 5.669 -5.203 1.00 0.00 O ATOM 931 CB ALA A 61 4.634 7.335 -3.133 1.00 0.00 C ATOM 0 H ALA A 61 4.709 5.552 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 61 2.571 6.757 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.500 7.875 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.568 8.033 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.613 6.855 -3.128 1.00 0.00 H new ATOM 937 N CYS A 62 4.124 4.187 -4.036 1.00 0.00 N ATOM 938 CA CYS A 62 4.111 3.256 -5.183 1.00 0.00 C ATOM 939 C CYS A 62 2.799 2.516 -5.134 1.00 0.00 C ATOM 940 O CYS A 62 2.206 2.237 -6.146 1.00 0.00 O ATOM 941 CB CYS A 62 5.273 2.243 -5.051 1.00 0.00 C ATOM 942 SG CYS A 62 6.934 2.780 -5.514 1.00 0.00 S ATOM 0 H CYS A 62 4.598 3.857 -3.196 1.00 0.00 H new ATOM 0 HA CYS A 62 4.227 3.797 -6.122 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.308 1.911 -4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.025 1.371 -5.656 1.00 0.00 H new ATOM 0 HG CYS A 62 7.772 1.802 -5.335 1.00 0.00 H new ATOM 947 N ARG A 63 2.367 2.203 -3.933 1.00 0.00 N ATOM 948 CA ARG A 63 1.089 1.484 -3.800 1.00 0.00 C ATOM 949 C ARG A 63 0.003 2.388 -4.300 1.00 0.00 C ATOM 950 O ARG A 63 -0.767 2.039 -5.170 1.00 0.00 O ATOM 951 CB ARG A 63 0.800 1.218 -2.295 1.00 0.00 C ATOM 952 CG ARG A 63 1.734 0.133 -1.735 1.00 0.00 C ATOM 953 CD ARG A 63 1.137 -1.255 -2.018 1.00 0.00 C ATOM 954 NE ARG A 63 2.088 -2.301 -1.553 1.00 0.00 N ATOM 955 CZ ARG A 63 1.747 -3.558 -1.635 1.00 0.00 C ATOM 956 NH1 ARG A 63 0.480 -3.868 -1.615 1.00 0.00 N ATOM 957 NH2 ARG A 63 2.683 -4.460 -1.741 1.00 0.00 N ATOM 0 H ARG A 63 2.847 2.417 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 63 1.132 0.546 -4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.928 2.140 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.238 0.909 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.720 0.216 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.867 0.271 -0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.180 -1.364 -1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.944 -1.370 -3.085 1.00 0.00 H new ATOM 0 HE ARG A 63 2.998 -2.038 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.224 -3.134 -1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.193 -4.845 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.663 -4.178 -1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.435 -5.447 -1.806 1.00 0.00 H new ATOM 971 N LEU A 64 -0.031 3.551 -3.721 1.00 0.00 N ATOM 972 CA LEU A 64 -1.037 4.532 -4.112 1.00 0.00 C ATOM 973 C LEU A 64 -0.956 4.831 -5.589 1.00 0.00 C ATOM 974 O LEU A 64 -1.916 4.677 -6.316 1.00 0.00 O ATOM 975 CB LEU A 64 -0.750 5.836 -3.366 1.00 0.00 C ATOM 976 CG LEU A 64 -1.878 6.856 -3.630 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.236 6.297 -3.103 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.538 8.165 -2.878 1.00 0.00 C ATOM 0 H LEU A 64 0.609 3.854 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.023 4.132 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.667 5.642 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.206 6.247 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.964 7.042 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.027 7.023 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.469 5.364 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.162 6.113 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.324 8.899 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.462 7.962 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.588 8.557 -3.241 1.00 0.00 H new ATOM 990 N ARG A 65 0.204 5.260 -6.011 1.00 0.00 N ATOM 991 CA ARG A 65 0.372 5.580 -7.432 1.00 0.00 C ATOM 992 C ARG A 65 -0.013 4.397 -8.278 1.00 0.00 C ATOM 993 O ARG A 65 -0.701 4.554 -9.268 1.00 0.00 O ATOM 994 CB ARG A 65 1.867 5.945 -7.679 1.00 0.00 C ATOM 995 CG ARG A 65 2.096 6.342 -9.167 1.00 0.00 C ATOM 996 CD ARG A 65 1.732 7.827 -9.378 1.00 0.00 C ATOM 997 NE ARG A 65 1.326 8.025 -10.799 1.00 0.00 N ATOM 998 CZ ARG A 65 1.215 9.238 -11.269 1.00 0.00 C ATOM 999 NH1 ARG A 65 0.824 10.191 -10.469 1.00 0.00 N ATOM 1000 NH2 ARG A 65 1.498 9.457 -12.525 1.00 0.00 N ATOM 0 H ARG A 65 1.029 5.398 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.269 6.419 -7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.158 6.770 -7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.501 5.097 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.137 6.171 -9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.488 5.714 -9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.920 8.115 -8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.584 8.462 -9.137 1.00 0.00 H new ATOM 0 HE ARG A 65 1.137 7.221 -11.398 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.611 9.983 -9.494 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.732 11.145 -10.819 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.800 8.687 -13.122 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.417 10.398 -12.909 1.00 0.00 H new ATOM 1014 N LYS A 66 0.418 3.220 -7.906 1.00 0.00 N ATOM 1015 CA LYS A 66 0.036 2.081 -8.736 1.00 0.00 C ATOM 1016 C LYS A 66 -1.443 1.895 -8.621 1.00 0.00 C ATOM 1017 O LYS A 66 -2.081 1.487 -9.556 1.00 0.00 O ATOM 1018 CB LYS A 66 0.761 0.798 -8.266 1.00 0.00 C ATOM 1019 CG LYS A 66 2.213 0.801 -8.801 1.00 0.00 C ATOM 1020 CD LYS A 66 2.244 0.282 -10.270 1.00 0.00 C ATOM 1021 CE LYS A 66 2.356 -1.247 -10.283 1.00 0.00 C ATOM 1022 NZ LYS A 66 2.354 -1.755 -11.683 1.00 0.00 N ATOM 0 H LYS A 66 0.997 3.018 -7.091 1.00 0.00 H new ATOM 0 HA LYS A 66 0.318 2.271 -9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.763 0.747 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.231 -0.084 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.624 1.810 -8.755 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.842 0.172 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.340 0.593 -10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.088 0.721 -10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.272 -1.555 -9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.525 -1.684 -9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.430 -2.792 -11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.469 -1.476 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.162 -1.352 -12.200 1.00 0.00 H new ATOM 1036 N CYS A 67 -1.988 2.235 -7.472 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.433 2.070 -7.314 1.00 0.00 C ATOM 1038 C CYS A 67 -4.152 3.035 -8.216 1.00 0.00 C ATOM 1039 O CYS A 67 -5.235 2.784 -8.634 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.800 2.314 -5.847 1.00 0.00 C ATOM 1041 SG CYS A 67 -4.184 0.851 -4.865 1.00 0.00 S ATOM 0 H CYS A 67 -1.490 2.610 -6.665 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.732 1.059 -7.591 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.972 2.838 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.661 2.982 -5.816 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.473 0.731 -4.751 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.564 4.153 -8.461 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.251 5.110 -9.354 1.00 0.00 C ATOM 1049 C TYR A 68 -3.983 4.675 -10.781 1.00 0.00 C ATOM 1050 O TYR A 68 -4.760 4.937 -11.679 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.657 6.524 -9.141 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.073 7.155 -7.765 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.375 7.042 -7.257 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.169 7.966 -7.076 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.746 7.720 -6.119 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.571 8.656 -5.936 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.856 8.528 -5.460 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.252 9.215 -4.345 1.00 0.00 O ATOM 0 H TYR A 68 -2.659 4.447 -8.094 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.321 5.132 -9.146 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.570 6.469 -9.197 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.985 7.177 -9.950 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.094 6.416 -7.764 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.153 8.058 -7.429 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.752 7.614 -5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.870 9.296 -5.421 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.463 9.501 -3.840 1.00 0.00 H new ATOM 1068 N GLU A 69 -2.874 4.010 -10.958 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.511 3.530 -12.311 1.00 0.00 C ATOM 1070 C GLU A 69 -3.455 2.428 -12.718 1.00 0.00 C ATOM 1071 O GLU A 69 -3.660 2.149 -13.882 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.071 2.988 -12.253 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.442 3.053 -13.649 1.00 0.00 C ATOM 1074 CD GLU A 69 -0.155 4.513 -14.006 1.00 0.00 C ATOM 1075 OE1 GLU A 69 0.466 5.161 -13.180 1.00 0.00 O ATOM 1076 OE2 GLU A 69 -0.574 4.897 -15.085 1.00 0.00 O ATOM 0 H GLU A 69 -2.207 3.781 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.579 4.340 -13.038 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.479 3.573 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.073 1.960 -11.891 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.480 2.473 -13.672 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.115 2.612 -14.385 1.00 0.00 H new ATOM 1083 N VAL A 70 -3.998 1.835 -11.731 1.00 0.00 N ATOM 1084 CA VAL A 70 -4.959 0.723 -11.949 1.00 0.00 C ATOM 1085 C VAL A 70 -6.148 1.260 -12.678 1.00 0.00 C ATOM 1086 O VAL A 70 -6.515 0.825 -13.751 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.443 0.226 -10.541 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.789 -0.505 -10.640 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.446 -0.730 -9.925 1.00 0.00 C ATOM 0 H VAL A 70 -3.824 2.066 -10.753 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.493 -0.083 -12.516 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.545 1.115 -9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.097 -0.837 -9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.541 0.171 -11.046 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.686 -1.369 -11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.809 -1.057 -8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.323 -1.596 -10.575 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.486 -0.227 -9.805 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.712 2.206 -12.044 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.923 2.897 -12.572 1.00 0.00 C ATOM 1101 C GLY A 71 -9.085 2.637 -11.610 1.00 0.00 C ATOM 1102 O GLY A 71 -10.164 2.260 -12.020 1.00 0.00 O ATOM 0 H GLY A 71 -6.387 2.559 -11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.739 3.967 -12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.166 2.528 -13.569 1.00 0.00 H new ATOM 1106 N MET A 72 -8.828 2.850 -10.330 1.00 0.00 N ATOM 1107 CA MET A 72 -9.915 2.620 -9.293 1.00 0.00 C ATOM 1108 C MET A 72 -10.480 3.949 -8.822 1.00 0.00 C ATOM 1109 O MET A 72 -10.245 4.984 -9.414 1.00 0.00 O ATOM 1110 CB MET A 72 -9.305 1.871 -8.016 1.00 0.00 C ATOM 1111 CG MET A 72 -7.783 1.947 -8.049 1.00 0.00 C ATOM 1112 SD MET A 72 -6.903 1.755 -6.494 1.00 0.00 S ATOM 1113 CE MET A 72 -7.736 0.265 -5.988 1.00 0.00 C ATOM 0 H MET A 72 -7.932 3.167 -9.959 1.00 0.00 H new ATOM 0 HA MET A 72 -10.698 2.016 -9.753 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.681 2.329 -7.101 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.626 0.829 -8.007 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.424 1.180 -8.735 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.505 2.911 -8.475 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.007 -0.443 -5.594 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.467 0.501 -5.215 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.244 -0.177 -6.845 1.00 0.00 H new ATOM 1123 N MET A 73 -11.212 3.880 -7.764 1.00 0.00 N ATOM 1124 CA MET A 73 -11.810 5.081 -7.204 1.00 0.00 C ATOM 1125 C MET A 73 -12.413 4.756 -5.867 1.00 0.00 C ATOM 1126 O MET A 73 -13.234 3.869 -5.752 1.00 0.00 O ATOM 1127 CB MET A 73 -12.896 5.621 -8.143 1.00 0.00 C ATOM 1128 CG MET A 73 -13.969 4.544 -8.393 1.00 0.00 C ATOM 1129 SD MET A 73 -15.023 4.753 -9.849 1.00 0.00 S ATOM 1130 CE MET A 73 -15.501 3.017 -10.035 1.00 0.00 C ATOM 0 H MET A 73 -11.420 3.019 -7.259 1.00 0.00 H new ATOM 0 HA MET A 73 -11.040 5.843 -7.085 1.00 0.00 H new ATOM 0 HB2 MET A 73 -13.356 6.508 -7.707 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.450 5.926 -9.089 1.00 0.00 H new ATOM 0 HG2 MET A 73 -13.468 3.579 -8.474 1.00 0.00 H new ATOM 0 HG3 MET A 73 -14.612 4.496 -7.514 1.00 0.00 H new ATOM 0 HE1 MET A 73 -16.208 2.920 -10.859 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.616 2.416 -10.244 1.00 0.00 H new ATOM 0 HE3 MET A 73 -15.968 2.667 -9.114 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.965 5.475 -4.879 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.462 5.274 -3.489 1.00 0.00 C ATOM 1142 C LYS A 74 -13.890 4.736 -3.454 1.00 0.00 C ATOM 1143 O LYS A 74 -14.236 3.924 -2.618 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.448 6.628 -2.769 1.00 0.00 C ATOM 1145 CG LYS A 74 -12.769 6.418 -1.286 1.00 0.00 C ATOM 1146 CD LYS A 74 -12.702 7.764 -0.563 1.00 0.00 C ATOM 1147 CE LYS A 74 -13.307 7.615 0.834 1.00 0.00 C ATOM 1148 NZ LYS A 74 -12.514 6.648 1.645 1.00 0.00 N ATOM 0 H LYS A 74 -11.262 6.208 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 74 -11.812 4.544 -3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.472 7.100 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.179 7.300 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.761 5.980 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.060 5.718 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.668 8.100 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.245 8.522 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.330 8.584 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.339 7.273 0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.346 7.045 2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.040 5.755 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.602 6.469 1.178 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.688 5.206 -4.366 1.00 0.00 N ATOM 1163 CA GLY A 75 -16.104 4.743 -4.413 1.00 0.00 C ATOM 1164 C GLY A 75 -16.813 5.058 -3.095 1.00 0.00 C ATOM 1165 O GLY A 75 -16.884 6.236 -2.787 1.00 0.00 O ATOM 1166 OXT GLY A 75 -17.243 4.102 -2.470 1.00 0.00 O ATOM 0 H GLY A 75 -14.426 5.887 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.625 5.229 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.136 3.670 -4.603 1.00 0.00 H new