USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 478 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 33 CYS SG : rot 170:sc= -5.93! USER MOD Set 1.2: A 36 HIS : no HD1:sc= -9.17! C(o=-15!,f=-13!) USER MOD Set 2.1: A 21 MET CE :methyl 163:sc= -0.81 (180deg=-0.223) USER MOD Set 2.2: A 25 MET CE :methyl 138:sc= -8.03! (180deg=-12.5!) USER MOD Single : A 16 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.9!) USER MOD Single : A 18 GLN : amide:sc= -0.757 K(o=-0.76,f=-2!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -170:sc= -0.0472 USER MOD Single : A 27 SER OG : rot -20:sc= -2.08 USER MOD Single : A 37 ASN : amide:sc= -0.294 K(o=-0.29,f=0.45) USER MOD Single : A 43 SER OG : rot -89:sc= -4.58! USER MOD Single : A 45 ASN : amide:sc= -0.06 X(o=-0.06,f=-0.47) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.155 (180deg=-0.804) USER MOD Single : A 55 THR OG1 : rot -70:sc= -4.12! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.38! X(o=-1.4!,f=-1.1) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -113:sc= 0.14 (180deg=0) USER MOD Single : A 81 TYR OH : rot 90:sc= -0.915 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.144 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 1.869 -2.185 -5.279 1.00 0.00 N ATOM 31 CA GLN A 16 2.758 -3.290 -5.595 1.00 0.00 C ATOM 32 C GLN A 16 3.034 -3.338 -7.099 1.00 0.00 C ATOM 33 O GLN A 16 4.146 -3.653 -7.520 1.00 0.00 O ATOM 34 CB GLN A 16 2.179 -4.618 -5.101 1.00 0.00 C ATOM 35 CG GLN A 16 1.923 -4.578 -3.594 1.00 0.00 C ATOM 36 CD GLN A 16 1.970 -5.984 -2.992 1.00 0.00 C ATOM 37 OE1 GLN A 16 2.240 -6.966 -3.664 1.00 0.00 O ATOM 38 NE2 GLN A 16 1.692 -6.026 -1.692 1.00 0.00 N ATOM 0 HA GLN A 16 3.704 -3.128 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.248 -4.830 -5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.869 -5.429 -5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.669 -3.947 -3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.950 -4.127 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.474 -5.166 -1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.697 -6.918 -1.198 1.00 0.00 H new ATOM 47 N GLU A 17 2.003 -3.019 -7.867 1.00 0.00 N ATOM 48 CA GLU A 17 2.120 -3.021 -9.316 1.00 0.00 C ATOM 49 C GLU A 17 3.108 -1.944 -9.770 1.00 0.00 C ATOM 50 O GLU A 17 3.996 -2.213 -10.577 1.00 0.00 O ATOM 51 CB GLU A 17 0.754 -2.826 -9.976 1.00 0.00 C ATOM 52 CG GLU A 17 -0.268 -3.823 -9.428 1.00 0.00 C ATOM 53 CD GLU A 17 0.387 -5.174 -9.134 1.00 0.00 C ATOM 54 OE1 GLU A 17 0.338 -5.652 -7.991 1.00 0.00 O ATOM 55 OE2 GLU A 17 0.963 -5.732 -10.145 1.00 0.00 O ATOM 0 H GLU A 17 1.083 -2.757 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 17 2.503 -3.992 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.404 -1.809 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.846 -2.951 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.716 -3.426 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.075 -3.955 -10.149 1.00 0.00 H new ATOM 63 N GLN A 18 2.920 -0.749 -9.231 1.00 0.00 N ATOM 64 CA GLN A 18 3.783 0.369 -9.571 1.00 0.00 C ATOM 65 C GLN A 18 5.185 0.150 -8.999 1.00 0.00 C ATOM 66 O GLN A 18 6.181 0.470 -9.646 1.00 0.00 O ATOM 67 CB GLN A 18 3.190 1.690 -9.077 1.00 0.00 C ATOM 68 CG GLN A 18 3.870 2.883 -9.752 1.00 0.00 C ATOM 69 CD GLN A 18 3.900 4.097 -8.821 1.00 0.00 C ATOM 70 OE1 GLN A 18 2.919 4.801 -8.644 1.00 0.00 O ATOM 71 NE2 GLN A 18 5.077 4.301 -8.236 1.00 0.00 N ATOM 0 H GLN A 18 2.183 -0.530 -8.561 1.00 0.00 H new ATOM 0 HA GLN A 18 3.859 0.427 -10.657 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.120 1.712 -9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.308 1.764 -7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.887 2.613 -10.036 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.339 3.137 -10.670 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.858 3.673 -8.428 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.199 5.085 -7.595 1.00 0.00 H new ATOM 80 N TRP A 19 5.219 -0.394 -7.791 1.00 0.00 N ATOM 81 CA TRP A 19 6.482 -0.660 -7.124 1.00 0.00 C ATOM 82 C TRP A 19 7.311 -1.573 -8.029 1.00 0.00 C ATOM 83 O TRP A 19 8.536 -1.471 -8.065 1.00 0.00 O ATOM 84 CB TRP A 19 6.253 -1.247 -5.730 1.00 0.00 C ATOM 85 CG TRP A 19 7.534 -1.714 -5.034 1.00 0.00 C ATOM 86 CD1 TRP A 19 8.509 -0.960 -4.508 1.00 0.00 C ATOM 87 CD2 TRP A 19 7.940 -3.080 -4.808 1.00 0.00 C ATOM 88 NE1 TRP A 19 9.510 -1.737 -3.962 1.00 0.00 N ATOM 89 CE2 TRP A 19 9.153 -3.067 -4.150 1.00 0.00 C ATOM 90 CE3 TRP A 19 7.304 -4.287 -5.148 1.00 0.00 C ATOM 91 CZ2 TRP A 19 9.834 -4.232 -3.776 1.00 0.00 C ATOM 92 CZ3 TRP A 19 7.998 -5.442 -4.767 1.00 0.00 C ATOM 93 CH2 TRP A 19 9.220 -5.446 -4.105 1.00 0.00 C ATOM 0 H TRP A 19 4.391 -0.658 -7.257 1.00 0.00 H new ATOM 0 HA TRP A 19 7.035 0.265 -6.962 1.00 0.00 H new ATOM 0 HB2 TRP A 19 5.765 -0.497 -5.107 1.00 0.00 H new ATOM 0 HB3 TRP A 19 5.567 -2.090 -5.810 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.511 0.120 -4.511 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.356 -1.398 -3.505 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.355 -4.321 -5.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 10.783 -4.196 -3.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.552 -6.397 -5.004 1.00 0.00 H new ATOM 0 HH2 TRP A 19 9.694 -6.381 -3.846 1.00 0.00 H new ATOM 104 N ALA A 20 6.610 -2.445 -8.739 1.00 0.00 N ATOM 105 CA ALA A 20 7.266 -3.376 -9.642 1.00 0.00 C ATOM 106 C ALA A 20 7.882 -2.600 -10.808 1.00 0.00 C ATOM 107 O ALA A 20 8.958 -2.949 -11.290 1.00 0.00 O ATOM 108 CB ALA A 20 6.259 -4.429 -10.109 1.00 0.00 C ATOM 0 H ALA A 20 5.594 -2.527 -8.707 1.00 0.00 H new ATOM 0 HA ALA A 20 8.074 -3.901 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.751 -5.127 -10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.873 -4.971 -9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.435 -3.939 -10.628 1.00 0.00 H new ATOM 114 N MET A 21 7.172 -1.562 -11.227 1.00 0.00 N ATOM 115 CA MET A 21 7.636 -0.734 -12.327 1.00 0.00 C ATOM 116 C MET A 21 9.011 -0.136 -12.022 1.00 0.00 C ATOM 117 O MET A 21 9.687 0.364 -12.919 1.00 0.00 O ATOM 118 CB MET A 21 6.632 0.394 -12.575 1.00 0.00 C ATOM 119 CG MET A 21 6.783 0.960 -13.989 1.00 0.00 C ATOM 120 SD MET A 21 5.345 0.555 -14.965 1.00 0.00 S ATOM 121 CE MET A 21 4.271 1.907 -14.512 1.00 0.00 C ATOM 0 H MET A 21 6.279 -1.276 -10.825 1.00 0.00 H new ATOM 0 HA MET A 21 7.722 -1.359 -13.216 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.618 0.020 -12.435 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.783 1.188 -11.843 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.910 2.042 -13.945 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.678 0.553 -14.459 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.461 1.987 -15.237 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.854 1.724 -13.522 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.841 2.836 -14.500 1.00 0.00 H new ATOM 131 N GLN A 22 9.384 -0.208 -10.752 1.00 0.00 N ATOM 132 CA GLN A 22 10.665 0.320 -10.318 1.00 0.00 C ATOM 133 C GLN A 22 11.714 0.139 -11.417 1.00 0.00 C ATOM 134 O GLN A 22 11.952 1.049 -12.209 1.00 0.00 O ATOM 135 CB GLN A 22 11.117 -0.341 -9.014 1.00 0.00 C ATOM 136 CG GLN A 22 12.505 0.154 -8.600 1.00 0.00 C ATOM 137 CD GLN A 22 12.763 -0.116 -7.117 1.00 0.00 C ATOM 138 OE1 GLN A 22 12.852 0.787 -6.301 1.00 0.00 O ATOM 139 NE2 GLN A 22 12.879 -1.406 -6.813 1.00 0.00 N ATOM 0 H GLN A 22 8.821 -0.624 -10.010 1.00 0.00 H new ATOM 0 HA GLN A 22 10.550 1.387 -10.125 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.399 -0.123 -8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.135 -1.424 -9.138 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.266 -0.342 -9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.588 1.222 -8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.794 -2.112 -7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.053 -1.689 -5.849 1.00 0.00 H new ATOM 148 N THR A 23 12.314 -1.043 -11.429 1.00 0.00 N ATOM 149 CA THR A 23 13.331 -1.355 -12.418 1.00 0.00 C ATOM 150 C THR A 23 12.734 -1.326 -13.826 1.00 0.00 C ATOM 151 O THR A 23 13.235 -0.623 -14.703 1.00 0.00 O ATOM 152 CB THR A 23 13.951 -2.704 -12.049 1.00 0.00 C ATOM 153 OG1 THR A 23 14.006 -2.683 -10.625 1.00 0.00 O ATOM 154 CG2 THR A 23 15.416 -2.813 -12.477 1.00 0.00 C ATOM 0 H THR A 23 12.115 -1.795 -10.770 1.00 0.00 H new ATOM 0 HA THR A 23 14.123 -0.606 -12.420 1.00 0.00 H new ATOM 0 HB THR A 23 13.377 -3.506 -12.514 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.535 -3.444 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.807 -3.790 -12.191 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.489 -2.695 -13.558 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.997 -2.032 -11.987 1.00 0.00 H new ATOM 162 N LEU A 24 11.671 -2.098 -14.000 1.00 0.00 N ATOM 163 CA LEU A 24 11.000 -2.169 -15.286 1.00 0.00 C ATOM 164 C LEU A 24 11.063 -0.800 -15.966 1.00 0.00 C ATOM 165 O LEU A 24 11.809 -0.614 -16.927 1.00 0.00 O ATOM 166 CB LEU A 24 9.577 -2.707 -15.119 1.00 0.00 C ATOM 167 CG LEU A 24 8.764 -2.862 -16.406 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.849 -4.087 -16.332 1.00 0.00 C ATOM 169 CD2 LEU A 24 7.984 -1.584 -16.719 1.00 0.00 C ATOM 0 H LEU A 24 11.258 -2.680 -13.271 1.00 0.00 H new ATOM 0 HA LEU A 24 11.509 -2.875 -15.942 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.632 -3.679 -14.628 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.034 -2.041 -14.448 1.00 0.00 H new ATOM 0 HG LEU A 24 9.458 -3.026 -17.230 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.282 -4.174 -17.259 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.452 -4.984 -16.190 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.160 -3.976 -15.495 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.415 -1.721 -17.638 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.301 -1.365 -15.899 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.680 -0.754 -16.843 1.00 0.00 H new ATOM 181 N MET A 25 10.271 0.123 -15.441 1.00 0.00 N ATOM 182 CA MET A 25 10.228 1.470 -15.986 1.00 0.00 C ATOM 183 C MET A 25 11.573 2.177 -15.807 1.00 0.00 C ATOM 184 O MET A 25 11.975 2.976 -16.651 1.00 0.00 O ATOM 185 CB MET A 25 9.132 2.271 -15.280 1.00 0.00 C ATOM 186 CG MET A 25 9.409 3.773 -15.366 1.00 0.00 C ATOM 187 SD MET A 25 8.086 4.684 -14.588 1.00 0.00 S ATOM 188 CE MET A 25 6.847 4.586 -15.870 1.00 0.00 C ATOM 0 H MET A 25 9.654 -0.035 -14.644 1.00 0.00 H new ATOM 0 HA MET A 25 10.013 1.404 -17.053 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.166 2.049 -15.733 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.071 1.968 -14.235 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.356 4.005 -14.879 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.505 4.074 -16.409 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.874 4.386 -15.421 1.00 0.00 H new ATOM 0 HE2 MET A 25 6.809 5.531 -16.413 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.100 3.781 -16.560 1.00 0.00 H new ATOM 198 N GLY A 26 12.230 1.858 -14.701 1.00 0.00 N ATOM 199 CA GLY A 26 13.521 2.453 -14.401 1.00 0.00 C ATOM 200 C GLY A 26 14.525 2.181 -15.523 1.00 0.00 C ATOM 201 O GLY A 26 15.562 2.837 -15.605 1.00 0.00 O ATOM 0 H GLY A 26 11.892 1.196 -14.003 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.407 3.528 -14.264 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.902 2.050 -13.462 1.00 0.00 H new ATOM 205 N SER A 27 14.181 1.212 -16.359 1.00 0.00 N ATOM 206 CA SER A 27 15.039 0.846 -17.473 1.00 0.00 C ATOM 207 C SER A 27 15.173 2.023 -18.441 1.00 0.00 C ATOM 208 O SER A 27 16.027 2.010 -19.325 1.00 0.00 O ATOM 209 CB SER A 27 14.497 -0.384 -18.204 1.00 0.00 C ATOM 210 OG SER A 27 14.722 -1.584 -17.470 1.00 0.00 O ATOM 0 H SER A 27 13.320 0.670 -16.287 1.00 0.00 H new ATOM 0 HA SER A 27 16.024 0.596 -17.078 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.428 -0.260 -18.378 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.972 -0.463 -19.182 1.00 0.00 H new ATOM 0 HG SER A 27 15.440 -1.440 -16.819 1.00 0.00 H new ATOM 216 N GLY A 28 14.314 3.012 -18.241 1.00 0.00 N ATOM 217 CA GLY A 28 14.326 4.195 -19.085 1.00 0.00 C ATOM 218 C GLY A 28 13.280 4.085 -20.197 1.00 0.00 C ATOM 219 O GLY A 28 13.368 4.780 -21.207 1.00 0.00 O ATOM 0 H GLY A 28 13.606 3.018 -17.507 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.128 5.080 -18.480 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.316 4.324 -19.523 1.00 0.00 H new ATOM 223 N VAL A 29 12.315 3.206 -19.972 1.00 0.00 N ATOM 224 CA VAL A 29 11.254 2.995 -20.943 1.00 0.00 C ATOM 225 C VAL A 29 10.302 4.193 -20.918 1.00 0.00 C ATOM 226 O VAL A 29 9.937 4.721 -21.967 1.00 0.00 O ATOM 227 CB VAL A 29 10.549 1.665 -20.667 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.159 1.639 -21.305 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.396 0.486 -21.150 1.00 0.00 C ATOM 0 H VAL A 29 12.245 2.632 -19.132 1.00 0.00 H new ATOM 0 HA VAL A 29 11.665 2.926 -21.950 1.00 0.00 H new ATOM 0 HB VAL A 29 10.424 1.569 -19.588 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.680 0.683 -21.094 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.554 2.447 -20.893 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.251 1.768 -22.383 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.873 -0.447 -20.942 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.566 0.576 -22.223 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.354 0.489 -20.629 1.00 0.00 H new ATOM 239 N LEU A 30 9.927 4.585 -19.710 1.00 0.00 N ATOM 240 CA LEU A 30 9.024 5.711 -19.535 1.00 0.00 C ATOM 241 C LEU A 30 9.780 6.868 -18.880 1.00 0.00 C ATOM 242 O LEU A 30 10.962 6.743 -18.565 1.00 0.00 O ATOM 243 CB LEU A 30 7.773 5.280 -18.767 1.00 0.00 C ATOM 244 CG LEU A 30 6.718 4.521 -19.574 1.00 0.00 C ATOM 245 CD1 LEU A 30 5.764 3.760 -18.651 1.00 0.00 C ATOM 246 CD2 LEU A 30 5.971 5.463 -20.521 1.00 0.00 C ATOM 0 H LEU A 30 10.232 4.144 -18.842 1.00 0.00 H new ATOM 0 HA LEU A 30 8.669 6.069 -20.501 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.082 4.653 -17.931 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.307 6.169 -18.343 1.00 0.00 H new ATOM 0 HG LEU A 30 7.227 3.780 -20.191 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.024 3.229 -19.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.329 3.044 -18.054 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.258 4.464 -17.990 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.227 4.899 -21.083 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.475 6.242 -19.942 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.679 5.920 -21.213 1.00 0.00 H new ATOM 258 N ALA A 31 9.066 7.969 -18.695 1.00 0.00 N ATOM 259 CA ALA A 31 9.655 9.148 -18.083 1.00 0.00 C ATOM 260 C ALA A 31 8.884 9.494 -16.807 1.00 0.00 C ATOM 261 O ALA A 31 7.656 9.561 -16.818 1.00 0.00 O ATOM 262 CB ALA A 31 9.658 10.299 -19.092 1.00 0.00 C ATOM 0 H ALA A 31 8.086 8.069 -18.958 1.00 0.00 H new ATOM 0 HA ALA A 31 10.691 8.958 -17.801 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.100 11.184 -18.633 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.242 10.014 -19.967 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.635 10.520 -19.395 1.00 0.00 H new ATOM 268 N ARG A 32 9.638 9.704 -15.738 1.00 0.00 N ATOM 269 CA ARG A 32 9.041 10.041 -14.457 1.00 0.00 C ATOM 270 C ARG A 32 9.651 11.334 -13.911 1.00 0.00 C ATOM 271 O ARG A 32 10.773 11.693 -14.264 1.00 0.00 O ATOM 272 CB ARG A 32 9.250 8.918 -13.439 1.00 0.00 C ATOM 273 CG ARG A 32 10.708 8.456 -13.424 1.00 0.00 C ATOM 274 CD ARG A 32 11.023 7.675 -12.146 1.00 0.00 C ATOM 275 NE ARG A 32 12.470 7.752 -11.849 1.00 0.00 N ATOM 276 CZ ARG A 32 13.412 7.074 -12.520 1.00 0.00 C ATOM 277 NH1 ARG A 32 13.063 6.265 -13.529 1.00 0.00 N ATOM 278 NH2 ARG A 32 14.702 7.206 -12.181 1.00 0.00 N ATOM 0 H ARG A 32 10.656 9.647 -15.733 1.00 0.00 H new ATOM 0 HA ARG A 32 7.971 10.178 -14.616 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.964 9.265 -12.446 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.601 8.077 -13.682 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.904 7.830 -14.295 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.368 9.320 -13.498 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.450 8.080 -11.312 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.722 6.634 -12.263 1.00 0.00 H new ATOM 0 HE ARG A 32 12.770 8.359 -11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.081 6.165 -13.786 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.779 5.749 -14.040 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.967 7.822 -11.413 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.419 6.690 -12.691 1.00 0.00 H new ATOM 292 N CYS A 33 8.885 11.998 -13.057 1.00 0.00 N ATOM 293 CA CYS A 33 9.336 13.243 -12.459 1.00 0.00 C ATOM 294 C CYS A 33 10.071 12.912 -11.158 1.00 0.00 C ATOM 295 O CYS A 33 9.633 12.054 -10.395 1.00 0.00 O ATOM 296 CB CYS A 33 8.176 14.213 -12.228 1.00 0.00 C ATOM 297 SG CYS A 33 8.822 15.876 -11.820 1.00 0.00 S ATOM 0 H CYS A 33 7.955 11.697 -12.765 1.00 0.00 H new ATOM 0 HA CYS A 33 10.017 13.751 -13.141 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.552 14.265 -13.120 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.544 13.850 -11.417 1.00 0.00 H new ATOM 0 HG CYS A 33 7.847 16.736 -11.836 1.00 0.00 H new ATOM 302 N ARG A 34 11.177 13.611 -10.947 1.00 0.00 N ATOM 303 CA ARG A 34 11.977 13.402 -9.752 1.00 0.00 C ATOM 304 C ARG A 34 11.159 13.732 -8.501 1.00 0.00 C ATOM 305 O ARG A 34 11.426 13.203 -7.423 1.00 0.00 O ATOM 306 CB ARG A 34 13.236 14.271 -9.773 1.00 0.00 C ATOM 307 CG ARG A 34 14.425 13.500 -10.350 1.00 0.00 C ATOM 308 CD ARG A 34 14.843 12.360 -9.418 1.00 0.00 C ATOM 309 NE ARG A 34 15.923 12.815 -8.515 1.00 0.00 N ATOM 310 CZ ARG A 34 16.525 12.031 -7.610 1.00 0.00 C ATOM 311 NH1 ARG A 34 16.155 10.750 -7.482 1.00 0.00 N ATOM 312 NH2 ARG A 34 17.497 12.530 -6.833 1.00 0.00 N ATOM 0 H ARG A 34 11.538 14.322 -11.583 1.00 0.00 H new ATOM 0 HA ARG A 34 12.273 12.353 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.055 15.166 -10.369 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.470 14.603 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.162 13.097 -11.328 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.265 14.178 -10.500 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.986 12.024 -8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.183 11.506 -10.004 1.00 0.00 H new ATOM 0 HE ARG A 34 16.228 13.786 -8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.415 10.371 -8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.613 10.153 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.778 13.506 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.956 11.934 -6.144 1.00 0.00 H new ATOM 326 N ILE A 35 10.179 14.603 -8.687 1.00 0.00 N ATOM 327 CA ILE A 35 9.320 15.010 -7.587 1.00 0.00 C ATOM 328 C ILE A 35 8.097 14.091 -7.535 1.00 0.00 C ATOM 329 O ILE A 35 7.422 14.009 -6.510 1.00 0.00 O ATOM 330 CB ILE A 35 8.969 16.494 -7.701 1.00 0.00 C ATOM 331 CG1 ILE A 35 8.383 17.022 -6.390 1.00 0.00 C ATOM 332 CG2 ILE A 35 8.039 16.748 -8.889 1.00 0.00 C ATOM 333 CD1 ILE A 35 9.467 17.670 -5.527 1.00 0.00 C ATOM 0 H ILE A 35 9.960 15.039 -9.583 1.00 0.00 H new ATOM 0 HA ILE A 35 9.842 14.903 -6.636 1.00 0.00 H new ATOM 0 HB ILE A 35 9.888 17.049 -7.888 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.600 17.750 -6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.916 16.204 -5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.805 17.811 -8.947 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.531 16.434 -9.810 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.118 16.180 -8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.024 18.037 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.236 16.933 -5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.915 18.502 -6.070 1.00 0.00 H new ATOM 345 N HIS A 36 7.850 13.423 -8.652 1.00 0.00 N ATOM 346 CA HIS A 36 6.721 12.514 -8.746 1.00 0.00 C ATOM 347 C HIS A 36 7.224 11.100 -9.042 1.00 0.00 C ATOM 348 O HIS A 36 7.608 10.797 -10.171 1.00 0.00 O ATOM 349 CB HIS A 36 5.708 13.011 -9.779 1.00 0.00 C ATOM 350 CG HIS A 36 5.522 14.510 -9.785 1.00 0.00 C ATOM 351 ND1 HIS A 36 5.097 15.217 -8.674 1.00 0.00 N ATOM 352 CD2 HIS A 36 5.707 15.427 -10.778 1.00 0.00 C ATOM 353 CE1 HIS A 36 5.033 16.501 -8.994 1.00 0.00 C ATOM 354 NE2 HIS A 36 5.411 16.629 -10.299 1.00 0.00 N ATOM 0 H HIS A 36 8.413 13.493 -9.500 1.00 0.00 H new ATOM 0 HA HIS A 36 6.194 12.483 -7.792 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.029 12.691 -10.770 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.746 12.537 -9.587 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.038 15.212 -11.783 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.734 17.305 -8.338 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.458 17.504 -10.821 1.00 0.00 H new ATOM 362 N ASN A 37 7.205 10.272 -8.008 1.00 0.00 N ATOM 363 CA ASN A 37 7.655 8.896 -8.143 1.00 0.00 C ATOM 364 C ASN A 37 6.442 7.986 -8.348 1.00 0.00 C ATOM 365 O ASN A 37 6.590 6.823 -8.720 1.00 0.00 O ATOM 366 CB ASN A 37 8.388 8.430 -6.883 1.00 0.00 C ATOM 367 CG ASN A 37 9.285 7.228 -7.184 1.00 0.00 C ATOM 368 OD1 ASN A 37 8.826 6.144 -7.506 1.00 0.00 O ATOM 369 ND2 ASN A 37 10.585 7.479 -7.061 1.00 0.00 N ATOM 0 H ASN A 37 6.885 10.527 -7.073 1.00 0.00 H new ATOM 0 HA ASN A 37 8.333 8.845 -8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.990 9.247 -6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.663 8.164 -6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.266 6.741 -7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.901 8.409 -6.788 1.00 0.00 H new ATOM 376 N ASP A 38 5.270 8.550 -8.096 1.00 0.00 N ATOM 377 CA ASP A 38 4.032 7.803 -8.249 1.00 0.00 C ATOM 378 C ASP A 38 3.330 8.246 -9.534 1.00 0.00 C ATOM 379 O ASP A 38 2.138 7.998 -9.711 1.00 0.00 O ATOM 380 CB ASP A 38 3.084 8.065 -7.077 1.00 0.00 C ATOM 381 CG ASP A 38 2.807 9.542 -6.787 1.00 0.00 C ATOM 382 OD1 ASP A 38 3.206 10.072 -5.740 1.00 0.00 O ATOM 383 OD2 ASP A 38 2.142 10.162 -7.702 1.00 0.00 O ATOM 0 H ASP A 38 5.151 9.515 -7.787 1.00 0.00 H new ATOM 0 HA ASP A 38 4.279 6.742 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.136 7.566 -7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.503 7.607 -6.181 1.00 0.00 H new ATOM 389 N VAL A 39 4.099 8.892 -10.398 1.00 0.00 N ATOM 390 CA VAL A 39 3.565 9.371 -11.662 1.00 0.00 C ATOM 391 C VAL A 39 4.314 8.698 -12.814 1.00 0.00 C ATOM 392 O VAL A 39 5.505 8.414 -12.703 1.00 0.00 O ATOM 393 CB VAL A 39 3.636 10.898 -11.715 1.00 0.00 C ATOM 394 CG1 VAL A 39 4.908 11.364 -12.426 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.389 11.482 -12.382 1.00 0.00 C ATOM 0 H VAL A 39 5.087 9.095 -10.248 1.00 0.00 H new ATOM 0 HA VAL A 39 2.512 9.104 -11.758 1.00 0.00 H new ATOM 0 HB VAL A 39 3.672 11.267 -10.690 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.933 12.453 -12.450 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.781 10.992 -11.890 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.917 10.979 -13.446 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.465 12.569 -12.407 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.308 11.101 -13.400 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.504 11.193 -11.815 1.00 0.00 H new ATOM 405 N ILE A 40 3.583 8.462 -13.894 1.00 0.00 N ATOM 406 CA ILE A 40 4.163 7.827 -15.066 1.00 0.00 C ATOM 407 C ILE A 40 3.906 8.703 -16.294 1.00 0.00 C ATOM 408 O ILE A 40 2.776 9.122 -16.536 1.00 0.00 O ATOM 409 CB ILE A 40 3.644 6.396 -15.212 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.530 6.001 -16.686 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.321 6.213 -14.466 1.00 0.00 C ATOM 412 CD1 ILE A 40 2.917 4.608 -16.835 1.00 0.00 C ATOM 0 H ILE A 40 2.595 8.699 -13.982 1.00 0.00 H new ATOM 0 HA ILE A 40 5.244 7.739 -14.957 1.00 0.00 H new ATOM 0 HB ILE A 40 4.368 5.723 -14.753 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.917 6.730 -17.215 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.517 6.019 -17.148 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.974 5.187 -14.586 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.468 6.424 -13.407 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.576 6.897 -14.873 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.847 4.352 -17.892 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.545 3.878 -16.326 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.920 4.600 -16.393 1.00 0.00 H new ATOM 424 N LEU A 41 4.975 8.953 -17.037 1.00 0.00 N ATOM 425 CA LEU A 41 4.879 9.771 -18.234 1.00 0.00 C ATOM 426 C LEU A 41 5.288 8.937 -19.450 1.00 0.00 C ATOM 427 O LEU A 41 6.140 8.056 -19.345 1.00 0.00 O ATOM 428 CB LEU A 41 5.691 11.057 -18.070 1.00 0.00 C ATOM 429 CG LEU A 41 5.745 11.641 -16.656 1.00 0.00 C ATOM 430 CD1 LEU A 41 6.749 12.792 -16.576 1.00 0.00 C ATOM 431 CD2 LEU A 41 4.352 12.061 -16.183 1.00 0.00 C ATOM 0 H LEU A 41 5.911 8.603 -16.833 1.00 0.00 H new ATOM 0 HA LEU A 41 3.849 10.090 -18.396 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.711 10.864 -18.401 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.277 11.812 -18.738 1.00 0.00 H new ATOM 0 HG LEU A 41 6.094 10.862 -15.978 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.768 13.189 -15.561 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.742 12.428 -16.842 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.454 13.581 -17.268 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.418 12.472 -15.176 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.951 12.817 -16.858 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.693 11.193 -16.178 1.00 0.00 H new ATOM 443 N ASP A 42 4.661 9.245 -20.576 1.00 0.00 N ATOM 444 CA ASP A 42 4.949 8.535 -21.811 1.00 0.00 C ATOM 445 C ASP A 42 6.082 9.248 -22.551 1.00 0.00 C ATOM 446 O ASP A 42 5.953 10.416 -22.914 1.00 0.00 O ATOM 447 CB ASP A 42 3.726 8.510 -22.729 1.00 0.00 C ATOM 448 CG ASP A 42 3.359 9.856 -23.356 1.00 0.00 C ATOM 449 OD1 ASP A 42 2.515 10.597 -22.829 1.00 0.00 O ATOM 450 OD2 ASP A 42 3.989 10.140 -24.445 1.00 0.00 O ATOM 0 H ASP A 42 3.955 9.976 -20.659 1.00 0.00 H new ATOM 0 HA ASP A 42 5.229 7.513 -21.556 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.905 7.791 -23.528 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.871 8.147 -22.159 1.00 0.00 H new ATOM 456 N SER A 43 7.167 8.515 -22.755 1.00 0.00 N ATOM 457 CA SER A 43 8.321 9.062 -23.446 1.00 0.00 C ATOM 458 C SER A 43 8.295 8.647 -24.918 1.00 0.00 C ATOM 459 O SER A 43 8.526 9.470 -25.803 1.00 0.00 O ATOM 460 CB SER A 43 9.625 8.605 -22.788 1.00 0.00 C ATOM 461 OG SER A 43 9.919 9.351 -21.610 1.00 0.00 O ATOM 0 H SER A 43 7.271 7.546 -22.453 1.00 0.00 H new ATOM 0 HA SER A 43 8.275 10.149 -23.381 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.553 7.546 -22.538 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.445 8.710 -23.498 1.00 0.00 H new ATOM 0 HG SER A 43 10.445 10.143 -21.847 1.00 0.00 H new ATOM 467 N GLY A 44 8.013 7.371 -25.135 1.00 0.00 N ATOM 468 CA GLY A 44 7.954 6.837 -26.485 1.00 0.00 C ATOM 469 C GLY A 44 9.223 6.051 -26.820 1.00 0.00 C ATOM 470 O GLY A 44 9.638 5.998 -27.977 1.00 0.00 O ATOM 0 H GLY A 44 7.823 6.691 -24.399 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.083 6.189 -26.586 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.828 7.652 -27.197 1.00 0.00 H new ATOM 474 N ASN A 45 9.803 5.459 -25.787 1.00 0.00 N ATOM 475 CA ASN A 45 11.016 4.677 -25.956 1.00 0.00 C ATOM 476 C ASN A 45 10.645 3.215 -26.212 1.00 0.00 C ATOM 477 O ASN A 45 9.478 2.840 -26.106 1.00 0.00 O ATOM 478 CB ASN A 45 11.886 4.731 -24.699 1.00 0.00 C ATOM 479 CG ASN A 45 12.482 6.126 -24.503 1.00 0.00 C ATOM 480 OD1 ASN A 45 12.134 6.855 -23.588 1.00 0.00 O ATOM 481 ND2 ASN A 45 13.396 6.457 -25.411 1.00 0.00 N ATOM 0 H ASN A 45 9.455 5.505 -24.829 1.00 0.00 H new ATOM 0 HA ASN A 45 11.571 5.094 -26.797 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.289 4.461 -23.828 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.688 3.997 -24.776 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.852 7.368 -25.367 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.641 5.799 -26.151 1.00 0.00 H new ATOM 488 N ASP A 46 11.659 2.430 -26.545 1.00 0.00 N ATOM 489 CA ASP A 46 11.453 1.017 -26.817 1.00 0.00 C ATOM 490 C ASP A 46 10.947 0.327 -25.549 1.00 0.00 C ATOM 491 O ASP A 46 11.725 0.045 -24.638 1.00 0.00 O ATOM 492 CB ASP A 46 12.760 0.341 -27.234 1.00 0.00 C ATOM 493 CG ASP A 46 14.008 0.840 -26.504 1.00 0.00 C ATOM 494 OD1 ASP A 46 14.664 1.798 -26.941 1.00 0.00 O ATOM 495 OD2 ASP A 46 14.306 0.194 -25.427 1.00 0.00 O ATOM 0 H ASP A 46 12.625 2.745 -26.633 1.00 0.00 H new ATOM 0 HA ASP A 46 10.728 0.931 -27.627 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.665 -0.732 -27.068 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.901 0.487 -28.305 1.00 0.00 H new ATOM 501 N ALA A 47 9.646 0.074 -25.530 1.00 0.00 N ATOM 502 CA ALA A 47 9.027 -0.578 -24.388 1.00 0.00 C ATOM 503 C ALA A 47 9.551 -2.012 -24.280 1.00 0.00 C ATOM 504 O ALA A 47 9.419 -2.647 -23.235 1.00 0.00 O ATOM 505 CB ALA A 47 7.505 -0.523 -24.532 1.00 0.00 C ATOM 0 H ALA A 47 9.004 0.309 -26.287 1.00 0.00 H new ATOM 0 HA ALA A 47 9.286 -0.061 -23.464 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.041 -1.012 -23.676 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.181 0.517 -24.576 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.207 -1.035 -25.447 1.00 0.00 H new ATOM 511 N SER A 48 10.134 -2.479 -25.374 1.00 0.00 N ATOM 512 CA SER A 48 10.678 -3.826 -25.414 1.00 0.00 C ATOM 513 C SER A 48 11.632 -4.041 -24.237 1.00 0.00 C ATOM 514 O SER A 48 11.746 -5.151 -23.721 1.00 0.00 O ATOM 515 CB SER A 48 11.401 -4.088 -26.737 1.00 0.00 C ATOM 516 OG SER A 48 12.261 -5.222 -26.660 1.00 0.00 O ATOM 0 H SER A 48 10.242 -1.949 -26.239 1.00 0.00 H new ATOM 0 HA SER A 48 9.851 -4.531 -25.336 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.666 -4.243 -27.527 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.984 -3.209 -27.012 1.00 0.00 H new ATOM 0 HG SER A 48 12.703 -5.357 -27.524 1.00 0.00 H new ATOM 522 N SER A 49 12.292 -2.960 -23.847 1.00 0.00 N ATOM 523 CA SER A 49 13.232 -3.017 -22.741 1.00 0.00 C ATOM 524 C SER A 49 12.476 -3.143 -21.417 1.00 0.00 C ATOM 525 O SER A 49 12.946 -3.799 -20.489 1.00 0.00 O ATOM 526 CB SER A 49 14.134 -1.781 -22.720 1.00 0.00 C ATOM 527 OG SER A 49 15.286 -1.974 -21.904 1.00 0.00 O ATOM 0 H SER A 49 12.194 -2.040 -24.277 1.00 0.00 H new ATOM 0 HA SER A 49 13.865 -3.894 -22.876 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.446 -1.543 -23.737 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.568 -0.925 -22.351 1.00 0.00 H new ATOM 0 HG SER A 49 15.836 -1.163 -21.918 1.00 0.00 H new ATOM 533 N ALA A 50 11.315 -2.505 -21.372 1.00 0.00 N ATOM 534 CA ALA A 50 10.489 -2.538 -20.178 1.00 0.00 C ATOM 535 C ALA A 50 9.878 -3.932 -20.023 1.00 0.00 C ATOM 536 O ALA A 50 9.767 -4.446 -18.911 1.00 0.00 O ATOM 537 CB ALA A 50 9.425 -1.442 -20.262 1.00 0.00 C ATOM 0 H ALA A 50 10.927 -1.962 -22.144 1.00 0.00 H new ATOM 0 HA ALA A 50 11.091 -2.341 -19.291 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.805 -1.467 -19.366 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.910 -0.469 -20.341 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.800 -1.608 -21.140 1.00 0.00 H new ATOM 543 N TYR A 51 9.498 -4.506 -21.156 1.00 0.00 N ATOM 544 CA TYR A 51 8.901 -5.830 -21.161 1.00 0.00 C ATOM 545 C TYR A 51 9.948 -6.904 -20.857 1.00 0.00 C ATOM 546 O TYR A 51 9.716 -7.786 -20.031 1.00 0.00 O ATOM 547 CB TYR A 51 8.363 -6.046 -22.577 1.00 0.00 C ATOM 548 CG TYR A 51 7.119 -5.217 -22.902 1.00 0.00 C ATOM 549 CD1 TYR A 51 5.930 -5.472 -22.250 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.186 -4.214 -23.848 1.00 0.00 C ATOM 551 CE1 TYR A 51 4.759 -4.692 -22.557 1.00 0.00 C ATOM 552 CE2 TYR A 51 6.015 -3.434 -24.154 1.00 0.00 C ATOM 553 CZ TYR A 51 4.859 -3.711 -23.494 1.00 0.00 C ATOM 554 OH TYR A 51 3.753 -2.975 -23.783 1.00 0.00 O ATOM 0 H TYR A 51 9.592 -4.077 -22.077 1.00 0.00 H new ATOM 0 HA TYR A 51 8.121 -5.902 -20.403 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.147 -5.802 -23.294 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.128 -7.102 -22.708 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.878 -6.256 -21.510 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.117 -4.014 -24.359 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.822 -4.882 -22.054 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.054 -2.646 -24.892 1.00 0.00 H new ATOM 0 HH TYR A 51 3.972 -2.311 -24.469 1.00 0.00 H new ATOM 564 N LYS A 52 11.077 -6.795 -21.541 1.00 0.00 N ATOM 565 CA LYS A 52 12.160 -7.745 -21.355 1.00 0.00 C ATOM 566 C LYS A 52 12.694 -7.630 -19.926 1.00 0.00 C ATOM 567 O LYS A 52 12.833 -8.633 -19.228 1.00 0.00 O ATOM 568 CB LYS A 52 13.232 -7.554 -22.430 1.00 0.00 C ATOM 569 CG LYS A 52 14.309 -6.573 -21.961 1.00 0.00 C ATOM 570 CD LYS A 52 15.432 -6.457 -22.993 1.00 0.00 C ATOM 571 CE LYS A 52 16.281 -7.730 -23.025 1.00 0.00 C ATOM 572 NZ LYS A 52 16.846 -8.009 -21.685 1.00 0.00 N ATOM 0 H LYS A 52 11.265 -6.063 -22.225 1.00 0.00 H new ATOM 0 HA LYS A 52 11.797 -8.765 -21.479 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.689 -8.515 -22.668 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.772 -7.184 -23.346 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.864 -5.593 -21.791 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.719 -6.906 -21.008 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.006 -6.274 -23.980 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.063 -5.601 -22.755 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.672 -8.573 -23.352 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.087 -7.619 -23.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.684 -8.617 -21.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.118 -7.114 -21.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.133 -8.491 -21.101 1.00 0.00 H new ATOM 586 N LEU A 53 12.979 -6.397 -19.533 1.00 0.00 N ATOM 587 CA LEU A 53 13.495 -6.138 -18.199 1.00 0.00 C ATOM 588 C LEU A 53 12.382 -6.363 -17.174 1.00 0.00 C ATOM 589 O LEU A 53 12.646 -6.782 -16.048 1.00 0.00 O ATOM 590 CB LEU A 53 14.123 -4.744 -18.129 1.00 0.00 C ATOM 591 CG LEU A 53 14.792 -4.376 -16.804 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.769 -3.833 -15.805 1.00 0.00 C ATOM 593 CD2 LEU A 53 15.574 -5.562 -16.236 1.00 0.00 C ATOM 0 H LEU A 53 12.863 -5.567 -20.114 1.00 0.00 H new ATOM 0 HA LEU A 53 14.297 -6.836 -17.958 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.865 -4.661 -18.923 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.348 -4.007 -18.339 1.00 0.00 H new ATOM 0 HG LEU A 53 15.510 -3.579 -16.995 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.271 -3.579 -14.872 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.296 -2.941 -16.217 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.009 -4.591 -15.614 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.040 -5.273 -15.294 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.895 -6.397 -16.064 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.346 -5.862 -16.945 1.00 0.00 H new ATOM 605 N GLY A 54 11.161 -6.074 -17.600 1.00 0.00 N ATOM 606 CA GLY A 54 10.007 -6.240 -16.733 1.00 0.00 C ATOM 607 C GLY A 54 9.816 -7.709 -16.350 1.00 0.00 C ATOM 608 O GLY A 54 9.667 -8.033 -15.173 1.00 0.00 O ATOM 0 H GLY A 54 10.946 -5.726 -18.534 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.135 -5.639 -15.832 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.113 -5.873 -17.237 1.00 0.00 H new ATOM 612 N THR A 55 9.825 -8.558 -17.367 1.00 0.00 N ATOM 613 CA THR A 55 9.654 -9.985 -17.151 1.00 0.00 C ATOM 614 C THR A 55 10.857 -10.559 -16.400 1.00 0.00 C ATOM 615 O THR A 55 10.702 -11.432 -15.547 1.00 0.00 O ATOM 616 CB THR A 55 9.417 -10.644 -18.512 1.00 0.00 C ATOM 617 OG1 THR A 55 7.998 -10.675 -18.640 1.00 0.00 O ATOM 618 CG2 THR A 55 9.825 -12.118 -18.528 1.00 0.00 C ATOM 0 H THR A 55 9.948 -8.286 -18.342 1.00 0.00 H new ATOM 0 HA THR A 55 8.789 -10.188 -16.520 1.00 0.00 H new ATOM 0 HB THR A 55 9.975 -10.105 -19.278 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.627 -11.325 -18.007 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.636 -12.537 -19.516 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.886 -12.204 -18.294 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.244 -12.664 -17.785 1.00 0.00 H new ATOM 626 N TYR A 56 12.029 -10.046 -16.744 1.00 0.00 N ATOM 627 CA TYR A 56 13.258 -10.496 -16.113 1.00 0.00 C ATOM 628 C TYR A 56 13.189 -10.324 -14.594 1.00 0.00 C ATOM 629 O TYR A 56 13.478 -11.256 -13.846 1.00 0.00 O ATOM 630 CB TYR A 56 14.369 -9.601 -16.666 1.00 0.00 C ATOM 631 CG TYR A 56 15.761 -9.930 -16.124 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.323 -11.166 -16.371 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.454 -8.991 -15.387 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.634 -11.476 -15.861 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.765 -9.301 -14.877 1.00 0.00 C ATOM 636 CZ TYR A 56 18.290 -10.528 -15.139 1.00 0.00 C ATOM 637 OH TYR A 56 19.527 -10.821 -14.656 1.00 0.00 O ATOM 0 H TYR A 56 12.154 -9.322 -17.452 1.00 0.00 H new ATOM 0 HA TYR A 56 13.431 -11.552 -16.320 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.384 -9.687 -17.752 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.135 -8.562 -16.432 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.780 -11.901 -16.947 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.013 -8.024 -15.193 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.086 -12.439 -16.048 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.319 -8.575 -14.300 1.00 0.00 H new ATOM 0 HH TYR A 56 19.876 -10.051 -14.161 1.00 0.00 H new ATOM 647 N LEU A 57 12.805 -9.124 -14.184 1.00 0.00 N ATOM 648 CA LEU A 57 12.695 -8.817 -12.768 1.00 0.00 C ATOM 649 C LEU A 57 11.474 -9.534 -12.189 1.00 0.00 C ATOM 650 O LEU A 57 11.570 -10.196 -11.156 1.00 0.00 O ATOM 651 CB LEU A 57 12.681 -7.303 -12.547 1.00 0.00 C ATOM 652 CG LEU A 57 12.279 -6.833 -11.147 1.00 0.00 C ATOM 653 CD1 LEU A 57 12.799 -5.421 -10.873 1.00 0.00 C ATOM 654 CD2 LEU A 57 10.765 -6.935 -10.948 1.00 0.00 C ATOM 0 H LEU A 57 12.566 -8.353 -14.808 1.00 0.00 H new ATOM 0 HA LEU A 57 13.568 -9.186 -12.229 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.675 -6.914 -12.768 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.997 -6.857 -13.269 1.00 0.00 H new ATOM 0 HG LEU A 57 12.745 -7.495 -10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.500 -5.111 -9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.887 -5.413 -10.945 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.382 -4.731 -11.606 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.506 -6.595 -9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.258 -6.311 -11.685 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.451 -7.971 -11.072 1.00 0.00 H new ATOM 666 N TYR A 58 10.353 -9.379 -12.879 1.00 0.00 N ATOM 667 CA TYR A 58 9.115 -10.004 -12.446 1.00 0.00 C ATOM 668 C TYR A 58 9.323 -11.493 -12.161 1.00 0.00 C ATOM 669 O TYR A 58 8.636 -12.069 -11.318 1.00 0.00 O ATOM 670 CB TYR A 58 8.136 -9.852 -13.611 1.00 0.00 C ATOM 671 CG TYR A 58 7.325 -8.555 -13.577 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.792 -8.105 -12.387 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.127 -7.834 -14.738 1.00 0.00 C ATOM 674 CE1 TYR A 58 6.028 -6.885 -12.355 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.364 -6.614 -14.706 1.00 0.00 C ATOM 676 CZ TYR A 58 5.852 -6.199 -13.516 1.00 0.00 C ATOM 677 OH TYR A 58 5.131 -5.046 -13.486 1.00 0.00 O ATOM 0 H TYR A 58 10.277 -8.829 -13.735 1.00 0.00 H new ATOM 0 HA TYR A 58 8.750 -9.539 -11.530 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.692 -9.896 -14.548 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.449 -10.698 -13.608 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.948 -8.668 -11.479 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.545 -8.186 -15.670 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.604 -6.523 -11.430 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.202 -6.041 -15.607 1.00 0.00 H new ATOM 0 HH TYR A 58 5.088 -4.663 -14.387 1.00 0.00 H new ATOM 687 N GLN A 59 10.272 -12.073 -12.879 1.00 0.00 N ATOM 688 CA GLN A 59 10.579 -13.484 -12.714 1.00 0.00 C ATOM 689 C GLN A 59 11.842 -13.658 -11.869 1.00 0.00 C ATOM 690 O GLN A 59 11.772 -14.102 -10.725 1.00 0.00 O ATOM 691 CB GLN A 59 10.727 -14.175 -14.071 1.00 0.00 C ATOM 692 CG GLN A 59 9.384 -14.725 -14.556 1.00 0.00 C ATOM 693 CD GLN A 59 8.297 -13.650 -14.495 1.00 0.00 C ATOM 694 OE1 GLN A 59 7.343 -13.738 -13.740 1.00 0.00 O ATOM 695 NE2 GLN A 59 8.495 -12.632 -15.328 1.00 0.00 N ATOM 0 H GLN A 59 10.839 -11.592 -13.577 1.00 0.00 H new ATOM 0 HA GLN A 59 9.748 -13.958 -12.191 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.120 -13.468 -14.802 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.450 -14.987 -13.993 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.484 -15.089 -15.579 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.093 -15.577 -13.942 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.316 -12.621 -15.934 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.826 -11.863 -15.361 1.00 0.00 H new ATOM 856 N LEU A 70 4.724 -13.943 -19.534 1.00 0.00 N ATOM 857 CA LEU A 70 5.204 -12.587 -19.740 1.00 0.00 C ATOM 858 C LEU A 70 4.017 -11.671 -20.048 1.00 0.00 C ATOM 859 O LEU A 70 4.110 -10.455 -19.889 1.00 0.00 O ATOM 860 CB LEU A 70 6.294 -12.562 -20.813 1.00 0.00 C ATOM 861 CG LEU A 70 6.330 -11.319 -21.705 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.732 -10.080 -20.901 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.241 -11.538 -22.914 1.00 0.00 C ATOM 0 HA LEU A 70 5.673 -12.207 -18.832 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.262 -12.660 -20.322 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.169 -13.438 -21.450 1.00 0.00 H new ATOM 0 HG LEU A 70 5.325 -11.143 -22.088 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.750 -9.210 -21.558 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.010 -9.916 -20.101 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.722 -10.231 -20.471 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.249 -10.640 -23.531 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.254 -11.752 -22.572 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.871 -12.378 -23.501 1.00 0.00 H new ATOM 875 N THR A 71 2.930 -12.291 -20.483 1.00 0.00 N ATOM 876 CA THR A 71 1.727 -11.547 -20.815 1.00 0.00 C ATOM 877 C THR A 71 1.241 -10.750 -19.602 1.00 0.00 C ATOM 878 O THR A 71 0.664 -9.675 -19.752 1.00 0.00 O ATOM 879 CB THR A 71 0.689 -12.538 -21.345 1.00 0.00 C ATOM 880 OG1 THR A 71 -0.342 -11.711 -21.876 1.00 0.00 O ATOM 881 CG2 THR A 71 0.000 -13.321 -20.225 1.00 0.00 C ATOM 0 H THR A 71 2.857 -13.300 -20.613 1.00 0.00 H new ATOM 0 HA THR A 71 1.921 -10.809 -21.594 1.00 0.00 H new ATOM 0 HB THR A 71 1.171 -13.235 -22.031 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.056 -12.273 -22.243 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.727 -14.010 -20.656 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.745 -13.885 -19.663 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.510 -12.627 -19.557 1.00 0.00 H new ATOM 889 N GLU A 72 1.494 -11.309 -18.428 1.00 0.00 N ATOM 890 CA GLU A 72 1.090 -10.664 -17.190 1.00 0.00 C ATOM 891 C GLU A 72 1.909 -9.392 -16.962 1.00 0.00 C ATOM 892 O GLU A 72 1.370 -8.370 -16.540 1.00 0.00 O ATOM 893 CB GLU A 72 1.223 -11.622 -16.004 1.00 0.00 C ATOM 894 CG GLU A 72 0.368 -11.155 -14.824 1.00 0.00 C ATOM 895 CD GLU A 72 -1.106 -11.502 -15.042 1.00 0.00 C ATOM 896 OE1 GLU A 72 -1.939 -10.597 -15.200 1.00 0.00 O ATOM 897 OE2 GLU A 72 -1.374 -12.764 -15.046 1.00 0.00 O ATOM 0 H GLU A 72 1.974 -12.201 -18.308 1.00 0.00 H new ATOM 0 HA GLU A 72 0.039 -10.386 -17.274 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.917 -12.624 -16.305 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.267 -11.686 -15.698 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.723 -11.623 -13.906 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.476 -10.078 -14.696 1.00 0.00 H new ATOM 905 N ALA A 73 3.197 -9.497 -17.252 1.00 0.00 N ATOM 906 CA ALA A 73 4.096 -8.367 -17.084 1.00 0.00 C ATOM 907 C ALA A 73 3.773 -7.303 -18.135 1.00 0.00 C ATOM 908 O ALA A 73 3.578 -6.135 -17.801 1.00 0.00 O ATOM 909 CB ALA A 73 5.545 -8.851 -17.170 1.00 0.00 C ATOM 0 H ALA A 73 3.640 -10.346 -17.602 1.00 0.00 H new ATOM 0 HA ALA A 73 3.962 -7.912 -16.103 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.220 -8.004 -17.044 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.731 -9.583 -16.384 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.718 -9.311 -18.143 1.00 0.00 H new ATOM 915 N ARG A 74 3.726 -7.745 -19.383 1.00 0.00 N ATOM 916 CA ARG A 74 3.430 -6.845 -20.485 1.00 0.00 C ATOM 917 C ARG A 74 2.017 -6.278 -20.342 1.00 0.00 C ATOM 918 O ARG A 74 1.744 -5.162 -20.783 1.00 0.00 O ATOM 919 CB ARG A 74 3.551 -7.563 -21.830 1.00 0.00 C ATOM 920 CG ARG A 74 2.222 -8.209 -22.228 1.00 0.00 C ATOM 921 CD ARG A 74 1.319 -7.205 -22.949 1.00 0.00 C ATOM 922 NE ARG A 74 1.374 -7.434 -24.410 1.00 0.00 N ATOM 923 CZ ARG A 74 1.092 -6.500 -25.328 1.00 0.00 C ATOM 924 NH1 ARG A 74 0.734 -5.267 -24.942 1.00 0.00 N ATOM 925 NH2 ARG A 74 1.168 -6.797 -26.633 1.00 0.00 N ATOM 0 H ARG A 74 3.888 -8.714 -19.656 1.00 0.00 H new ATOM 0 HA ARG A 74 4.156 -6.032 -20.454 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.859 -6.854 -22.598 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.327 -8.326 -21.770 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.409 -9.066 -22.876 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.716 -8.586 -21.339 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.293 -7.306 -22.595 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.636 -6.188 -22.720 1.00 0.00 H new ATOM 0 HE ARG A 74 1.644 -8.361 -24.739 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.676 -5.040 -23.949 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.519 -4.556 -25.641 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.441 -7.735 -26.928 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.953 -6.085 -27.331 1.00 0.00 H new ATOM 939 N ASP A 75 1.154 -7.072 -19.725 1.00 0.00 N ATOM 940 CA ASP A 75 -0.224 -6.664 -19.518 1.00 0.00 C ATOM 941 C ASP A 75 -0.286 -5.651 -18.373 1.00 0.00 C ATOM 942 O ASP A 75 -1.122 -4.749 -18.381 1.00 0.00 O ATOM 943 CB ASP A 75 -1.103 -7.858 -19.141 1.00 0.00 C ATOM 944 CG ASP A 75 -2.486 -7.497 -18.595 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.465 -7.403 -19.349 1.00 0.00 O ATOM 946 OD2 ASP A 75 -2.536 -7.308 -17.320 1.00 0.00 O ATOM 0 H ASP A 75 1.384 -7.997 -19.362 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.589 -6.228 -20.448 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.230 -8.489 -20.021 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.579 -8.454 -18.394 1.00 0.00 H new ATOM 952 N ALA A 76 0.610 -5.835 -17.414 1.00 0.00 N ATOM 953 CA ALA A 76 0.669 -4.949 -16.264 1.00 0.00 C ATOM 954 C ALA A 76 1.120 -3.560 -16.719 1.00 0.00 C ATOM 955 O ALA A 76 0.475 -2.560 -16.405 1.00 0.00 O ATOM 956 CB ALA A 76 1.598 -5.547 -15.206 1.00 0.00 C ATOM 0 H ALA A 76 1.301 -6.585 -17.410 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.316 -4.843 -15.810 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.642 -4.882 -14.343 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.217 -6.520 -14.895 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.597 -5.665 -15.624 1.00 0.00 H new ATOM 962 N ILE A 77 2.225 -3.541 -17.450 1.00 0.00 N ATOM 963 CA ILE A 77 2.770 -2.291 -17.951 1.00 0.00 C ATOM 964 C ILE A 77 1.854 -1.743 -19.047 1.00 0.00 C ATOM 965 O ILE A 77 1.755 -0.530 -19.230 1.00 0.00 O ATOM 966 CB ILE A 77 4.220 -2.480 -18.400 1.00 0.00 C ATOM 967 CG1 ILE A 77 4.309 -3.468 -19.564 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.107 -2.897 -17.225 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.759 -3.655 -20.015 1.00 0.00 C ATOM 0 H ILE A 77 2.758 -4.372 -17.707 1.00 0.00 H new ATOM 0 HA ILE A 77 2.801 -1.544 -17.157 1.00 0.00 H new ATOM 0 HB ILE A 77 4.594 -1.522 -18.762 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.891 -4.429 -19.263 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.708 -3.107 -20.399 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.133 -3.025 -17.571 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.077 -2.126 -16.455 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.744 -3.838 -16.811 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.794 -4.362 -20.844 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.166 -2.697 -20.338 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.352 -4.039 -19.185 1.00 0.00 H new ATOM 981 N LYS A 78 1.206 -2.662 -19.748 1.00 0.00 N ATOM 982 CA LYS A 78 0.302 -2.286 -20.821 1.00 0.00 C ATOM 983 C LYS A 78 -0.941 -1.622 -20.225 1.00 0.00 C ATOM 984 O LYS A 78 -1.521 -0.724 -20.833 1.00 0.00 O ATOM 985 CB LYS A 78 -0.011 -3.495 -21.706 1.00 0.00 C ATOM 986 CG LYS A 78 -1.137 -3.176 -22.691 1.00 0.00 C ATOM 987 CD LYS A 78 -1.804 -4.457 -23.195 1.00 0.00 C ATOM 988 CE LYS A 78 -3.021 -4.815 -22.339 1.00 0.00 C ATOM 989 NZ LYS A 78 -3.257 -6.276 -22.360 1.00 0.00 N ATOM 0 H LYS A 78 1.289 -3.667 -19.593 1.00 0.00 H new ATOM 0 HA LYS A 78 0.772 -1.553 -21.477 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.884 -3.790 -22.254 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.297 -4.342 -21.083 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.879 -2.541 -22.207 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.738 -2.613 -23.535 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.110 -4.328 -24.233 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.086 -5.277 -23.174 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.863 -4.481 -21.314 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.902 -4.293 -22.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.150 -6.476 -22.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.473 -6.747 -22.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.314 -6.633 -21.385 1.00 0.00 H new ATOM 1003 N ASP A 79 -1.314 -2.090 -19.043 1.00 0.00 N ATOM 1004 CA ASP A 79 -2.477 -1.553 -18.358 1.00 0.00 C ATOM 1005 C ASP A 79 -2.152 -0.154 -17.831 1.00 0.00 C ATOM 1006 O ASP A 79 -2.897 0.794 -18.076 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.868 -2.428 -17.166 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.889 -1.804 -16.212 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -4.488 -0.761 -16.512 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -4.063 -2.444 -15.105 1.00 0.00 O ATOM 0 H ASP A 79 -0.831 -2.836 -18.542 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.303 -1.523 -19.069 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.272 -3.368 -17.542 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.967 -2.671 -16.602 1.00 0.00 H new ATOM 1016 N ALA A 80 -1.039 -0.069 -17.117 1.00 0.00 N ATOM 1017 CA ALA A 80 -0.607 1.198 -16.553 1.00 0.00 C ATOM 1018 C ALA A 80 -0.358 2.197 -17.685 1.00 0.00 C ATOM 1019 O ALA A 80 -0.873 3.314 -17.657 1.00 0.00 O ATOM 1020 CB ALA A 80 0.636 0.975 -15.689 1.00 0.00 C ATOM 0 H ALA A 80 -0.424 -0.857 -16.916 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.381 1.615 -15.909 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.960 1.926 -15.266 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.399 0.281 -14.883 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.436 0.559 -16.302 1.00 0.00 H new ATOM 1026 N TYR A 81 0.432 1.759 -18.655 1.00 0.00 N ATOM 1027 CA TYR A 81 0.755 2.600 -19.794 1.00 0.00 C ATOM 1028 C TYR A 81 -0.514 3.153 -20.446 1.00 0.00 C ATOM 1029 O TYR A 81 -0.618 4.354 -20.691 1.00 0.00 O ATOM 1030 CB TYR A 81 1.476 1.695 -20.796 1.00 0.00 C ATOM 1031 CG TYR A 81 2.953 1.461 -20.473 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.370 1.398 -19.158 1.00 0.00 C ATOM 1033 CD2 TYR A 81 3.868 1.314 -21.495 1.00 0.00 C ATOM 1034 CE1 TYR A 81 4.760 1.178 -18.854 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.258 1.093 -21.191 1.00 0.00 C ATOM 1036 CZ TYR A 81 5.635 1.036 -19.885 1.00 0.00 C ATOM 1037 OH TYR A 81 6.948 0.828 -19.598 1.00 0.00 O ATOM 0 H TYR A 81 0.858 0.832 -18.675 1.00 0.00 H new ATOM 0 HA TYR A 81 1.364 3.449 -19.483 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.966 0.732 -20.833 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.397 2.136 -21.790 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.654 1.514 -18.358 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.542 1.365 -22.523 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.100 1.127 -17.830 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.984 0.975 -21.981 1.00 0.00 H new ATOM 0 HH TYR A 81 7.119 -0.134 -19.526 1.00 0.00 H new ATOM 1047 N GLU A 82 -1.448 2.250 -20.707 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.706 2.633 -21.326 1.00 0.00 C ATOM 1049 C GLU A 82 -3.598 3.353 -20.313 1.00 0.00 C ATOM 1050 O GLU A 82 -4.472 4.130 -20.692 1.00 0.00 O ATOM 1051 CB GLU A 82 -3.419 1.415 -21.916 1.00 0.00 C ATOM 1052 CG GLU A 82 -2.583 0.774 -23.025 1.00 0.00 C ATOM 1053 CD GLU A 82 -2.910 1.393 -24.386 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -3.175 0.662 -25.352 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -2.883 2.682 -24.418 1.00 0.00 O ATOM 0 H GLU A 82 -1.359 1.255 -20.501 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.492 3.320 -22.145 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.608 0.684 -21.130 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.389 1.714 -22.314 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.523 0.904 -22.808 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.773 -0.299 -23.054 1.00 0.00 H new ATOM 1063 N SER A 83 -3.346 3.069 -19.043 1.00 0.00 N ATOM 1064 CA SER A 83 -4.115 3.680 -17.973 1.00 0.00 C ATOM 1065 C SER A 83 -3.624 5.108 -17.725 1.00 0.00 C ATOM 1066 O SER A 83 -4.373 5.948 -17.228 1.00 0.00 O ATOM 1067 CB SER A 83 -4.020 2.857 -16.687 1.00 0.00 C ATOM 1068 OG SER A 83 -4.751 3.451 -15.617 1.00 0.00 O ATOM 0 H SER A 83 -2.620 2.424 -18.732 1.00 0.00 H new ATOM 0 HA SER A 83 -5.161 3.709 -18.278 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.399 1.852 -16.871 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.974 2.755 -16.398 1.00 0.00 H new ATOM 0 HG SER A 83 -4.667 2.895 -14.815 1.00 0.00 H new ATOM 1074 N TYR A 84 -2.370 5.340 -18.084 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.771 6.652 -17.908 1.00 0.00 C ATOM 1076 C TYR A 84 -1.510 7.322 -19.258 1.00 0.00 C ATOM 1077 O TYR A 84 -1.132 8.491 -19.313 1.00 0.00 O ATOM 1078 CB TYR A 84 -0.434 6.414 -17.203 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.558 6.180 -15.696 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.948 7.213 -14.867 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.280 4.937 -15.165 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -1.065 6.993 -13.449 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.397 4.717 -13.747 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.783 5.756 -12.959 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.893 5.548 -11.619 1.00 0.00 O ATOM 0 H TYR A 84 -1.752 4.641 -18.496 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.434 7.303 -17.338 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.055 5.551 -17.655 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.214 7.274 -17.375 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.165 8.186 -15.282 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.025 4.129 -15.813 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.370 7.792 -12.789 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.183 3.749 -13.319 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.662 4.618 -11.412 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.722 6.551 -20.315 1.00 0.00 N ATOM 1096 CA CYS A 85 -1.514 7.055 -21.662 1.00 0.00 C ATOM 1097 C CYS A 85 -2.236 8.398 -21.789 1.00 0.00 C ATOM 1098 O CYS A 85 -3.342 8.564 -21.277 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.982 6.053 -22.720 1.00 0.00 C ATOM 1100 SG CYS A 85 -1.971 6.838 -24.373 1.00 0.00 S ATOM 0 H CYS A 85 -2.035 5.582 -20.266 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.448 7.198 -21.839 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.330 5.179 -22.719 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.986 5.702 -22.482 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.368 5.979 -25.264 1.00 0.00 H new ATOM 1106 N GLY A 86 -1.581 9.323 -22.476 1.00 0.00 N ATOM 1107 CA GLY A 86 -2.147 10.646 -22.677 1.00 0.00 C ATOM 1108 C GLY A 86 -1.427 11.687 -21.817 1.00 0.00 C ATOM 1109 O GLY A 86 -1.796 12.860 -21.817 1.00 0.00 O ATOM 0 H GLY A 86 -0.664 9.182 -22.900 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.071 10.922 -23.729 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.208 10.633 -22.427 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.412 11.219 -21.104 1.00 0.00 N ATOM 1114 CA ILE A 87 0.363 12.095 -20.242 1.00 0.00 C ATOM 1115 C ILE A 87 1.828 12.069 -20.680 1.00 0.00 C ATOM 1116 O ILE A 87 2.543 11.104 -20.412 1.00 0.00 O ATOM 1117 CB ILE A 87 0.154 11.722 -18.773 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -1.322 11.443 -18.482 1.00 0.00 C ATOM 1119 CG2 ILE A 87 0.727 12.797 -17.847 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -1.497 10.780 -17.115 1.00 0.00 C ATOM 0 H ILE A 87 -0.109 10.245 -21.106 1.00 0.00 H new ATOM 0 HA ILE A 87 0.020 13.125 -20.338 1.00 0.00 H new ATOM 0 HB ILE A 87 0.701 10.800 -18.574 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.885 12.376 -18.512 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.733 10.798 -19.258 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.565 12.507 -16.809 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.796 12.904 -18.031 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.229 13.747 -18.040 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.556 10.593 -16.934 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.953 9.835 -17.096 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.107 11.438 -16.339 1.00 0.00 H new ATOM 1132 N ASP A 88 2.233 13.140 -21.347 1.00 0.00 N ATOM 1133 CA ASP A 88 3.600 13.251 -21.825 1.00 0.00 C ATOM 1134 C ASP A 88 4.509 13.664 -20.666 1.00 0.00 C ATOM 1135 O ASP A 88 5.632 13.175 -20.549 1.00 0.00 O ATOM 1136 CB ASP A 88 3.716 14.316 -22.918 1.00 0.00 C ATOM 1137 CG ASP A 88 3.303 13.854 -24.317 1.00 0.00 C ATOM 1138 OD1 ASP A 88 3.967 13.007 -24.932 1.00 0.00 O ATOM 1139 OD2 ASP A 88 2.235 14.409 -24.781 1.00 0.00 O ATOM 0 H ASP A 88 1.638 13.939 -21.568 1.00 0.00 H new ATOM 0 HA ASP A 88 3.895 12.283 -22.230 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.101 15.171 -22.638 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.748 14.665 -22.957 1.00 0.00 H new ATOM 1145 N ASP A 89 3.990 14.558 -19.838 1.00 0.00 N ATOM 1146 CA ASP A 89 4.741 15.041 -18.691 1.00 0.00 C ATOM 1147 C ASP A 89 3.768 15.576 -17.639 1.00 0.00 C ATOM 1148 O ASP A 89 2.694 16.072 -17.976 1.00 0.00 O ATOM 1149 CB ASP A 89 5.680 16.181 -19.089 1.00 0.00 C ATOM 1150 CG ASP A 89 6.107 17.098 -17.941 1.00 0.00 C ATOM 1151 OD1 ASP A 89 5.415 18.072 -17.611 1.00 0.00 O ATOM 1152 OD2 ASP A 89 7.217 16.773 -17.368 1.00 0.00 O ATOM 0 H ASP A 89 3.058 14.961 -19.938 1.00 0.00 H new ATOM 0 HA ASP A 89 5.328 14.211 -18.298 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.573 15.754 -19.544 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.191 16.785 -19.853 1.00 0.00 H new