USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 403 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 Single : A 1 SER N :NH3+ 143:sc= 0.417 (180deg=0.0594) USER MOD Single : A 1 SER OG : rot 180:sc= 0.123 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 139:sc= -0.0756 (180deg=-0.64) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 12 GLN : amide:sc= -0.0492 X(o=-0.049,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -119:sc= -0.216 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.5) USER MOD Single : A 18 HIS : no HD1:sc= -0.235 X(o=-0.23,f=-0.083) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 20 SER OG : rot 22:sc= 0.23! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0845 X(o=-0.085,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.67 F(o=-6!,f=-1.7) USER MOD Single : A 38 SER OG : rot 60:sc= 0.344 USER MOD Single : A 42 GLN : amide:sc= -0.517 K(o=-0.52,f=-7.2!) USER MOD Single : A 44 HIS : no HD1:sc= -8.56! C(o=-8.6!,f=-8.1!) USER MOD Single : A 45 SER OG : rot 90:sc= -4.36! USER MOD Single : A 49 LYS NZ :NH3+ 149:sc= -0.116 (180deg=-1.08) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.152 -5.780 -3.096 1.00 0.00 N ATOM 2 CA SER A 1 13.413 -4.537 -2.328 1.00 0.00 C ATOM 3 C SER A 1 12.536 -4.497 -1.083 1.00 0.00 C ATOM 4 O SER A 1 11.549 -5.201 -0.993 1.00 0.00 O ATOM 5 CB SER A 1 13.085 -3.311 -3.194 1.00 0.00 C ATOM 6 OG SER A 1 13.598 -3.644 -4.475 1.00 0.00 O ATOM 0 H1 SER A 1 13.200 -5.575 -4.115 1.00 0.00 H new ATOM 0 H2 SER A 1 13.867 -6.495 -2.853 1.00 0.00 H new ATOM 0 H3 SER A 1 12.206 -6.142 -2.860 1.00 0.00 H new ATOM 0 HA SER A 1 14.464 -4.523 -2.041 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.012 -3.125 -3.231 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.552 -2.408 -2.800 1.00 0.00 H new ATOM 0 HG SER A 1 13.427 -2.907 -5.098 1.00 0.00 H new ATOM 14 N TYR A 2 12.912 -3.669 -0.143 1.00 0.00 N ATOM 15 CA TYR A 2 12.113 -3.566 1.106 1.00 0.00 C ATOM 16 C TYR A 2 11.143 -2.394 1.037 1.00 0.00 C ATOM 17 O TYR A 2 11.236 -1.556 0.161 1.00 0.00 O ATOM 18 CB TYR A 2 13.077 -3.339 2.280 1.00 0.00 C ATOM 19 CG TYR A 2 14.322 -4.206 2.088 1.00 0.00 C ATOM 20 CD1 TYR A 2 14.290 -5.551 2.391 1.00 0.00 C ATOM 21 CD2 TYR A 2 15.494 -3.655 1.611 1.00 0.00 C ATOM 22 CE1 TYR A 2 15.413 -6.333 2.221 1.00 0.00 C ATOM 23 CE2 TYR A 2 16.617 -4.438 1.439 1.00 0.00 C ATOM 24 CZ TYR A 2 16.585 -5.783 1.743 1.00 0.00 C ATOM 25 OH TYR A 2 17.707 -6.568 1.570 1.00 0.00 O ATOM 0 H TYR A 2 13.733 -3.065 -0.189 1.00 0.00 H new ATOM 0 HA TYR A 2 11.541 -4.484 1.237 1.00 0.00 H new ATOM 0 HB2 TYR A 2 13.358 -2.287 2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 2 12.587 -3.589 3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 2 13.379 -5.995 2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 2 15.532 -2.603 1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 2 15.375 -7.385 2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 2 17.527 -3.995 1.064 1.00 0.00 H new ATOM 0 HH TYR A 2 18.441 -6.018 1.225 1.00 0.00 H new ATOM 35 N GLN A 3 10.227 -2.354 1.966 1.00 0.00 N ATOM 36 CA GLN A 3 9.240 -1.246 1.975 1.00 0.00 C ATOM 37 C GLN A 3 9.696 -0.125 2.901 1.00 0.00 C ATOM 38 O GLN A 3 9.843 -0.326 4.090 1.00 0.00 O ATOM 39 CB GLN A 3 7.901 -1.798 2.488 1.00 0.00 C ATOM 40 CG GLN A 3 6.970 -2.044 1.297 1.00 0.00 C ATOM 41 CD GLN A 3 5.721 -2.784 1.775 1.00 0.00 C ATOM 42 OE1 GLN A 3 4.873 -2.227 2.444 1.00 0.00 O ATOM 43 NE2 GLN A 3 5.566 -4.040 1.454 1.00 0.00 N ATOM 0 H GLN A 3 10.122 -3.039 2.714 1.00 0.00 H new ATOM 0 HA GLN A 3 9.140 -0.847 0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.062 -2.726 3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.445 -1.092 3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 3 6.691 -1.096 0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.484 -2.629 0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.274 -4.514 0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.737 -4.547 1.764 1.00 0.00 H new ATOM 52 N VAL A 4 9.911 1.039 2.332 1.00 0.00 N ATOM 53 CA VAL A 4 10.358 2.195 3.150 1.00 0.00 C ATOM 54 C VAL A 4 9.408 3.379 2.985 1.00 0.00 C ATOM 55 O VAL A 4 9.507 4.361 3.694 1.00 0.00 O ATOM 56 CB VAL A 4 11.750 2.610 2.657 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.809 1.763 3.365 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.843 2.371 1.149 1.00 0.00 C ATOM 0 H VAL A 4 9.794 1.231 1.337 1.00 0.00 H new ATOM 0 HA VAL A 4 10.375 1.908 4.201 1.00 0.00 H new ATOM 0 HB VAL A 4 11.916 3.665 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.800 2.055 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.741 1.921 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.642 0.709 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.831 2.665 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.681 1.314 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.083 2.964 0.639 1.00 0.00 H new ATOM 68 N ILE A 5 8.504 3.261 2.047 1.00 0.00 N ATOM 69 CA ILE A 5 7.539 4.358 1.813 1.00 0.00 C ATOM 70 C ILE A 5 6.191 4.057 2.464 1.00 0.00 C ATOM 71 O ILE A 5 6.009 3.025 3.078 1.00 0.00 O ATOM 72 CB ILE A 5 7.333 4.486 0.311 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.172 3.106 -0.300 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.576 5.153 -0.299 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.163 3.178 -1.447 1.00 0.00 C ATOM 0 H ILE A 5 8.398 2.450 1.437 1.00 0.00 H new ATOM 0 HA ILE A 5 7.933 5.277 2.246 1.00 0.00 H new ATOM 0 HB ILE A 5 6.442 5.081 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.132 2.743 -0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.832 2.398 0.456 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.444 5.252 -1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.713 6.140 0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.454 4.540 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.044 2.189 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.202 3.523 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.523 3.874 -2.205 1.00 0.00 H new ATOM 87 N CYS A 6 5.272 4.971 2.311 1.00 0.00 N ATOM 88 CA CYS A 6 3.927 4.776 2.904 1.00 0.00 C ATOM 89 C CYS A 6 2.875 5.397 2.000 1.00 0.00 C ATOM 90 O CYS A 6 2.795 6.599 1.883 1.00 0.00 O ATOM 91 CB CYS A 6 3.891 5.485 4.261 1.00 0.00 C ATOM 92 SG CYS A 6 4.022 4.454 5.740 1.00 0.00 S ATOM 0 H CYS A 6 5.399 5.844 1.799 1.00 0.00 H new ATOM 0 HA CYS A 6 3.724 3.711 3.019 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.703 6.211 4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.959 6.047 4.323 1.00 0.00 H new ATOM 97 N ARG A 7 2.077 4.570 1.386 1.00 0.00 N ATOM 98 CA ARG A 7 1.031 5.103 0.485 1.00 0.00 C ATOM 99 C ARG A 7 -0.283 5.400 1.207 1.00 0.00 C ATOM 100 O ARG A 7 -0.974 4.501 1.645 1.00 0.00 O ATOM 101 CB ARG A 7 0.762 4.038 -0.579 1.00 0.00 C ATOM 102 CG ARG A 7 -0.182 4.609 -1.636 1.00 0.00 C ATOM 103 CD ARG A 7 -0.320 3.601 -2.779 1.00 0.00 C ATOM 104 NE ARG A 7 -1.731 3.594 -3.254 1.00 0.00 N ATOM 105 CZ ARG A 7 -2.480 2.553 -3.018 1.00 0.00 C ATOM 106 NH1 ARG A 7 -2.670 2.181 -1.783 1.00 0.00 N ATOM 107 NH2 ARG A 7 -3.014 1.918 -4.025 1.00 0.00 N ATOM 0 H ARG A 7 2.107 3.554 1.471 1.00 0.00 H new ATOM 0 HA ARG A 7 1.389 6.043 0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.698 3.725 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.321 3.153 -0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.158 4.816 -1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.204 5.556 -2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.351 3.865 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.032 2.606 -2.440 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.108 4.396 -3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.236 2.702 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.253 1.369 -1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.843 2.238 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.603 1.102 -3.859 1.00 0.00 H new ATOM 121 N ASP A 8 -0.601 6.670 1.313 1.00 0.00 N ATOM 122 CA ASP A 8 -1.864 7.062 1.994 1.00 0.00 C ATOM 123 C ASP A 8 -2.948 7.332 0.943 1.00 0.00 C ATOM 124 O ASP A 8 -2.803 8.213 0.116 1.00 0.00 O ATOM 125 CB ASP A 8 -1.603 8.342 2.805 1.00 0.00 C ATOM 126 CG ASP A 8 -2.730 8.539 3.811 1.00 0.00 C ATOM 127 OD1 ASP A 8 -3.785 8.937 3.360 1.00 0.00 O ATOM 128 OD2 ASP A 8 -2.470 8.282 4.975 1.00 0.00 O ATOM 0 H ASP A 8 -0.040 7.444 0.957 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.199 6.262 2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.646 8.270 3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.540 9.202 2.138 1.00 0.00 H new ATOM 133 N GLU A 9 -4.017 6.570 0.996 1.00 0.00 N ATOM 134 CA GLU A 9 -5.111 6.766 0.008 1.00 0.00 C ATOM 135 C GLU A 9 -6.141 7.798 0.459 1.00 0.00 C ATOM 136 O GLU A 9 -7.081 8.080 -0.260 1.00 0.00 O ATOM 137 CB GLU A 9 -5.819 5.422 -0.180 1.00 0.00 C ATOM 138 CG GLU A 9 -6.546 5.053 1.115 1.00 0.00 C ATOM 139 CD GLU A 9 -6.964 3.583 1.056 1.00 0.00 C ATOM 140 OE1 GLU A 9 -7.732 3.274 0.158 1.00 0.00 O ATOM 141 OE2 GLU A 9 -6.492 2.851 1.911 1.00 0.00 O ATOM 0 H GLU A 9 -4.172 5.828 1.678 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.667 7.135 -0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.529 5.483 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.095 4.649 -0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.896 5.224 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.422 5.688 1.248 1.00 0.00 H new ATOM 148 N LYS A 10 -5.966 8.344 1.624 1.00 0.00 N ATOM 149 CA LYS A 10 -6.953 9.355 2.090 1.00 0.00 C ATOM 150 C LYS A 10 -6.596 10.705 1.504 1.00 0.00 C ATOM 151 O LYS A 10 -7.386 11.628 1.516 1.00 0.00 O ATOM 152 CB LYS A 10 -6.878 9.457 3.638 1.00 0.00 C ATOM 153 CG LYS A 10 -8.136 8.856 4.323 1.00 0.00 C ATOM 154 CD LYS A 10 -7.754 7.525 4.973 1.00 0.00 C ATOM 155 CE LYS A 10 -8.988 6.917 5.636 1.00 0.00 C ATOM 156 NZ LYS A 10 -10.069 6.705 4.632 1.00 0.00 N ATOM 0 H LYS A 10 -5.199 8.141 2.265 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.955 9.061 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.989 8.936 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.772 10.502 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.523 9.545 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.929 8.705 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.356 6.842 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.968 7.680 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.726 5.968 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.344 7.575 6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.532 5.790 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.770 7.469 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.660 6.708 3.676 1.00 0.00 H new ATOM 170 N THR A 11 -5.399 10.784 1.001 1.00 0.00 N ATOM 171 CA THR A 11 -4.927 12.047 0.394 1.00 0.00 C ATOM 172 C THR A 11 -4.219 11.738 -0.908 1.00 0.00 C ATOM 173 O THR A 11 -3.967 12.616 -1.705 1.00 0.00 O ATOM 174 CB THR A 11 -3.937 12.711 1.352 1.00 0.00 C ATOM 175 OG1 THR A 11 -2.751 12.887 0.602 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.542 11.745 2.473 1.00 0.00 C ATOM 0 H THR A 11 -4.725 10.019 0.986 1.00 0.00 H new ATOM 0 HA THR A 11 -5.772 12.710 0.206 1.00 0.00 H new ATOM 0 HB THR A 11 -4.372 13.622 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.070 13.314 1.163 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.837 12.235 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.431 11.452 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.076 10.859 2.042 1.00 0.00 H new ATOM 184 N GLN A 12 -3.894 10.477 -1.078 1.00 0.00 N ATOM 185 CA GLN A 12 -3.196 10.034 -2.316 1.00 0.00 C ATOM 186 C GLN A 12 -1.798 10.587 -2.343 1.00 0.00 C ATOM 187 O GLN A 12 -1.327 11.045 -3.367 1.00 0.00 O ATOM 188 CB GLN A 12 -3.958 10.531 -3.569 1.00 0.00 C ATOM 189 CG GLN A 12 -5.465 10.316 -3.380 1.00 0.00 C ATOM 190 CD GLN A 12 -6.143 10.288 -4.754 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.932 11.149 -5.087 1.00 0.00 O ATOM 192 NE2 GLN A 12 -5.862 9.318 -5.581 1.00 0.00 N ATOM 0 H GLN A 12 -4.086 9.735 -0.405 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.161 8.945 -2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.750 11.588 -3.737 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.613 9.994 -4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.648 9.381 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.885 11.115 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.200 8.591 -5.309 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.304 9.287 -6.500 1.00 0.00 H new ATOM 201 N MET A 13 -1.158 10.536 -1.206 1.00 0.00 N ATOM 202 CA MET A 13 0.219 11.048 -1.109 1.00 0.00 C ATOM 203 C MET A 13 1.124 10.011 -0.465 1.00 0.00 C ATOM 204 O MET A 13 0.820 9.490 0.591 1.00 0.00 O ATOM 205 CB MET A 13 0.201 12.309 -0.230 1.00 0.00 C ATOM 206 CG MET A 13 1.560 13.002 -0.311 1.00 0.00 C ATOM 207 SD MET A 13 1.992 13.804 -1.875 1.00 0.00 S ATOM 208 CE MET A 13 3.761 13.997 -1.550 1.00 0.00 C ATOM 0 H MET A 13 -1.541 10.157 -0.340 1.00 0.00 H new ATOM 0 HA MET A 13 0.596 11.273 -2.107 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.586 12.986 -0.562 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.023 12.043 0.803 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.602 13.754 0.477 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.329 12.263 -0.087 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.237 14.481 -2.403 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.903 14.610 -0.660 1.00 0.00 H new ATOM 0 HE3 MET A 13 4.211 13.017 -1.391 1.00 0.00 H new ATOM 218 N ILE A 14 2.220 9.724 -1.113 1.00 0.00 N ATOM 219 CA ILE A 14 3.150 8.727 -0.551 1.00 0.00 C ATOM 220 C ILE A 14 4.213 9.405 0.293 1.00 0.00 C ATOM 221 O ILE A 14 4.748 10.429 -0.088 1.00 0.00 O ATOM 222 CB ILE A 14 3.818 7.995 -1.706 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.754 7.563 -2.711 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.523 6.742 -1.145 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.340 6.533 -3.673 1.00 0.00 C ATOM 0 H ILE A 14 2.503 10.138 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 14 2.599 8.031 0.082 1.00 0.00 H new ATOM 0 HB ILE A 14 4.539 8.647 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.897 7.139 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.392 8.428 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.009 6.203 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.271 7.043 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.788 6.094 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.576 6.228 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.183 6.972 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.680 5.663 -3.112 1.00 0.00 H new ATOM 237 N TYR A 15 4.501 8.816 1.427 1.00 0.00 N ATOM 238 CA TYR A 15 5.528 9.399 2.328 1.00 0.00 C ATOM 239 C TYR A 15 6.716 8.459 2.482 1.00 0.00 C ATOM 240 O TYR A 15 6.621 7.281 2.197 1.00 0.00 O ATOM 241 CB TYR A 15 4.875 9.622 3.695 1.00 0.00 C ATOM 242 CG TYR A 15 3.652 10.519 3.515 1.00 0.00 C ATOM 243 CD1 TYR A 15 3.809 11.863 3.245 1.00 0.00 C ATOM 244 CD2 TYR A 15 2.378 9.999 3.606 1.00 0.00 C ATOM 245 CE1 TYR A 15 2.708 12.675 3.067 1.00 0.00 C ATOM 246 CE2 TYR A 15 1.276 10.812 3.428 1.00 0.00 C ATOM 247 CZ TYR A 15 1.433 12.156 3.157 1.00 0.00 C ATOM 248 OH TYR A 15 0.332 12.969 2.981 1.00 0.00 O ATOM 0 H TYR A 15 4.066 7.957 1.763 1.00 0.00 H new ATOM 0 HA TYR A 15 5.894 10.336 1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.582 8.668 4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.584 10.084 4.381 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.802 12.283 3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.241 8.949 3.818 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.845 13.725 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.283 10.393 3.501 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.209 12.968 3.798 1.00 0.00 H new ATOM 258 N GLN A 16 7.819 8.994 2.931 1.00 0.00 N ATOM 259 CA GLN A 16 9.021 8.150 3.109 1.00 0.00 C ATOM 260 C GLN A 16 9.013 7.440 4.453 1.00 0.00 C ATOM 261 O GLN A 16 8.040 7.477 5.180 1.00 0.00 O ATOM 262 CB GLN A 16 10.253 9.058 3.028 1.00 0.00 C ATOM 263 CG GLN A 16 10.245 9.797 1.688 1.00 0.00 C ATOM 264 CD GLN A 16 11.676 9.900 1.156 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.552 10.446 1.798 1.00 0.00 O ATOM 266 NE2 GLN A 16 11.957 9.389 -0.012 1.00 0.00 N ATOM 0 H GLN A 16 7.934 9.976 3.180 1.00 0.00 H new ATOM 0 HA GLN A 16 9.036 7.388 2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.248 9.772 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.163 8.466 3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.616 9.268 0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.819 10.793 1.812 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.227 8.929 -0.556 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.906 9.449 -0.380 1.00 0.00 H new ATOM 275 N GLN A 17 10.109 6.805 4.753 1.00 0.00 N ATOM 276 CA GLN A 17 10.210 6.074 6.042 1.00 0.00 C ATOM 277 C GLN A 17 10.409 7.029 7.216 1.00 0.00 C ATOM 278 O GLN A 17 11.129 8.004 7.115 1.00 0.00 O ATOM 279 CB GLN A 17 11.420 5.128 5.969 1.00 0.00 C ATOM 280 CG GLN A 17 11.179 3.941 6.905 1.00 0.00 C ATOM 281 CD GLN A 17 12.481 3.157 7.088 1.00 0.00 C ATOM 282 OE1 GLN A 17 13.430 3.324 6.346 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.568 2.291 8.063 1.00 0.00 N ATOM 0 H GLN A 17 10.939 6.761 4.161 1.00 0.00 H new ATOM 0 HA GLN A 17 9.282 5.525 6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.564 4.779 4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.329 5.656 6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.817 4.294 7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.407 3.291 6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.776 2.146 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.428 1.760 8.198 1.00 0.00 H new ATOM 292 N HIS A 18 9.761 6.726 8.315 1.00 0.00 N ATOM 293 CA HIS A 18 9.893 7.599 9.517 1.00 0.00 C ATOM 294 C HIS A 18 9.486 9.030 9.193 1.00 0.00 C ATOM 295 O HIS A 18 9.877 9.965 9.866 1.00 0.00 O ATOM 296 CB HIS A 18 11.365 7.573 9.993 1.00 0.00 C ATOM 297 CG HIS A 18 11.451 6.844 11.339 1.00 0.00 C ATOM 298 ND1 HIS A 18 12.221 7.156 12.272 1.00 0.00 N ATOM 299 CD2 HIS A 18 10.748 5.743 11.796 1.00 0.00 C ATOM 300 CE1 HIS A 18 12.086 6.381 13.266 1.00 0.00 C ATOM 301 NE2 HIS A 18 11.164 5.440 13.056 1.00 0.00 N ATOM 0 H HIS A 18 9.151 5.917 8.429 1.00 0.00 H new ATOM 0 HA HIS A 18 9.235 7.226 10.302 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.989 7.070 9.254 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.745 8.590 10.092 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.990 5.209 11.241 1.00 0.00 H new ATOM 0 HE1 HIS A 18 12.654 6.472 14.180 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.853 4.692 13.676 1.00 0.00 H new ATOM 309 N GLN A 19 8.693 9.171 8.167 1.00 0.00 N ATOM 310 CA GLN A 19 8.239 10.522 7.771 1.00 0.00 C ATOM 311 C GLN A 19 6.854 10.797 8.356 1.00 0.00 C ATOM 312 O GLN A 19 5.942 10.012 8.189 1.00 0.00 O ATOM 313 CB GLN A 19 8.167 10.564 6.239 1.00 0.00 C ATOM 314 CG GLN A 19 8.138 12.020 5.775 1.00 0.00 C ATOM 315 CD GLN A 19 9.565 12.484 5.474 1.00 0.00 C ATOM 316 OE1 GLN A 19 10.369 12.671 6.364 1.00 0.00 O ATOM 317 NE2 GLN A 19 9.920 12.681 4.233 1.00 0.00 N ATOM 0 H GLN A 19 8.343 8.406 7.590 1.00 0.00 H new ATOM 0 HA GLN A 19 8.931 11.278 8.144 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.027 10.050 5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.276 10.041 5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.516 12.118 4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.693 12.650 6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.250 12.526 3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.868 12.990 4.017 1.00 0.00 H new ATOM 326 N SER A 20 6.721 11.908 9.033 1.00 0.00 N ATOM 327 CA SER A 20 5.402 12.241 9.638 1.00 0.00 C ATOM 328 C SER A 20 4.547 13.127 8.747 1.00 0.00 C ATOM 329 O SER A 20 5.026 14.067 8.142 1.00 0.00 O ATOM 330 CB SER A 20 5.657 12.985 10.956 1.00 0.00 C ATOM 331 OG SER A 20 6.293 14.192 10.557 1.00 0.00 O ATOM 0 H SER A 20 7.462 12.591 9.191 1.00 0.00 H new ATOM 0 HA SER A 20 4.860 11.307 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.727 13.182 11.489 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.291 12.403 11.626 1.00 0.00 H new ATOM 0 HG SER A 20 6.087 14.375 9.616 1.00 0.00 H new ATOM 337 N TRP A 21 3.278 12.800 8.690 1.00 0.00 N ATOM 338 CA TRP A 21 2.344 13.594 7.858 1.00 0.00 C ATOM 339 C TRP A 21 0.970 13.653 8.524 1.00 0.00 C ATOM 340 O TRP A 21 0.309 12.648 8.698 1.00 0.00 O ATOM 341 CB TRP A 21 2.246 12.970 6.440 1.00 0.00 C ATOM 342 CG TRP A 21 1.369 11.698 6.416 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.075 11.692 6.096 1.00 0.00 C ATOM 344 CD2 TRP A 21 1.829 10.461 6.526 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.226 10.378 5.995 1.00 0.00 N ATOM 346 CE2 TRP A 21 0.831 9.535 6.255 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.100 10.012 6.855 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.097 8.186 6.304 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.361 8.652 6.905 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.360 7.743 6.630 1.00 0.00 C ATOM 0 H TRP A 21 2.856 12.015 9.187 1.00 0.00 H new ATOM 0 HA TRP A 21 2.720 14.613 7.763 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.833 13.706 5.750 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.247 12.725 6.084 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.580 12.539 5.951 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.156 10.040 5.747 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.885 10.722 7.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.315 7.474 6.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.351 8.303 7.160 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.567 6.684 6.670 1.00 0.00 H new ATOM 361 N LEU A 22 0.570 14.851 8.878 1.00 0.00 N ATOM 362 CA LEU A 22 -0.747 15.041 9.538 1.00 0.00 C ATOM 363 C LEU A 22 -1.888 14.982 8.538 1.00 0.00 C ATOM 364 O LEU A 22 -1.708 15.252 7.366 1.00 0.00 O ATOM 365 CB LEU A 22 -0.756 16.448 10.179 1.00 0.00 C ATOM 366 CG LEU A 22 0.054 16.464 11.496 1.00 0.00 C ATOM 367 CD1 LEU A 22 -0.748 15.783 12.613 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.389 15.728 11.306 1.00 0.00 C ATOM 0 H LEU A 22 1.107 15.706 8.734 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.885 14.248 10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.336 17.172 9.481 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.783 16.755 10.376 1.00 0.00 H new ATOM 0 HG LEU A 22 0.251 17.500 11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.170 15.799 13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.687 16.315 12.763 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.957 14.750 12.333 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.951 15.746 12.240 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.197 14.694 11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.968 16.221 10.525 1.00 0.00 H new ATOM 380 N ARG A 23 -3.050 14.628 9.035 1.00 0.00 N ATOM 381 CA ARG A 23 -4.241 14.536 8.156 1.00 0.00 C ATOM 382 C ARG A 23 -5.426 15.295 8.791 1.00 0.00 C ATOM 383 O ARG A 23 -5.447 15.510 9.987 1.00 0.00 O ATOM 384 CB ARG A 23 -4.602 13.045 8.012 1.00 0.00 C ATOM 385 CG ARG A 23 -4.009 12.506 6.702 1.00 0.00 C ATOM 386 CD ARG A 23 -3.864 10.986 6.802 1.00 0.00 C ATOM 387 NE ARG A 23 -5.198 10.393 7.105 1.00 0.00 N ATOM 388 CZ ARG A 23 -5.267 9.204 7.639 1.00 0.00 C ATOM 389 NH1 ARG A 23 -4.466 8.269 7.206 1.00 0.00 N ATOM 390 NH2 ARG A 23 -6.137 8.989 8.587 1.00 0.00 N ATOM 0 H ARG A 23 -3.217 14.400 10.015 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.029 14.979 7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.214 12.481 8.860 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.685 12.919 8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.654 12.767 5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.038 12.964 6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.475 10.582 5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.150 10.726 7.583 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.051 10.913 6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.799 8.473 6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.507 7.334 7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.748 9.744 8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.206 8.066 9.016 1.00 0.00 H new ATOM 404 N PRO A 24 -6.401 15.694 7.971 1.00 0.00 N ATOM 405 CA PRO A 24 -7.566 16.422 8.474 1.00 0.00 C ATOM 406 C PRO A 24 -8.280 15.669 9.591 1.00 0.00 C ATOM 407 O PRO A 24 -7.956 14.538 9.897 1.00 0.00 O ATOM 408 CB PRO A 24 -8.510 16.553 7.260 1.00 0.00 C ATOM 409 CG PRO A 24 -7.798 15.890 6.043 1.00 0.00 C ATOM 410 CD PRO A 24 -6.408 15.440 6.518 1.00 0.00 C ATOM 0 HA PRO A 24 -7.266 17.382 8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.463 16.064 7.460 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.727 17.601 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.373 15.039 5.678 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.712 16.596 5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.239 14.385 6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.619 15.999 6.016 1.00 0.00 H new ATOM 418 N VAL A 25 -9.246 16.321 10.175 1.00 0.00 N ATOM 419 CA VAL A 25 -10.008 15.690 11.270 1.00 0.00 C ATOM 420 C VAL A 25 -11.124 14.818 10.715 1.00 0.00 C ATOM 421 O VAL A 25 -11.441 14.881 9.543 1.00 0.00 O ATOM 422 CB VAL A 25 -10.639 16.813 12.128 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.686 18.016 12.192 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.956 17.265 11.496 1.00 0.00 C ATOM 0 H VAL A 25 -9.537 17.269 9.934 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.337 15.068 11.863 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.820 16.430 13.132 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.135 18.804 12.797 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.741 17.708 12.640 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.505 18.391 11.185 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.398 18.056 12.102 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.767 17.641 10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.643 16.421 11.444 1.00 0.00 H new ATOM 434 N LEU A 26 -11.700 14.018 11.564 1.00 0.00 N ATOM 435 CA LEU A 26 -12.794 13.138 11.102 1.00 0.00 C ATOM 436 C LEU A 26 -14.075 13.940 10.939 1.00 0.00 C ATOM 437 O LEU A 26 -14.553 14.139 9.840 1.00 0.00 O ATOM 438 CB LEU A 26 -13.016 12.040 12.160 1.00 0.00 C ATOM 439 CG LEU A 26 -11.658 11.569 12.687 1.00 0.00 C ATOM 440 CD1 LEU A 26 -11.863 10.361 13.601 1.00 0.00 C ATOM 441 CD2 LEU A 26 -10.770 11.164 11.509 1.00 0.00 C ATOM 0 H LEU A 26 -11.459 13.938 12.552 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.528 12.696 10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.624 12.424 12.979 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.561 11.203 11.724 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.182 12.376 13.244 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.898 10.022 13.978 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.502 10.642 14.438 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.336 9.556 13.039 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.802 10.828 11.881 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.246 10.355 10.956 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.628 12.020 10.849 1.00 0.00 H new ATOM 453 N ARG A 27 -14.606 14.388 12.038 1.00 0.00 N ATOM 454 CA ARG A 27 -15.853 15.183 11.981 1.00 0.00 C ATOM 455 C ARG A 27 -15.877 16.212 13.100 1.00 0.00 C ATOM 456 O ARG A 27 -16.663 17.138 13.081 1.00 0.00 O ATOM 457 CB ARG A 27 -17.058 14.242 12.156 1.00 0.00 C ATOM 458 CG ARG A 27 -16.572 12.836 12.517 1.00 0.00 C ATOM 459 CD ARG A 27 -17.782 11.966 12.856 1.00 0.00 C ATOM 460 NE ARG A 27 -17.720 10.715 12.052 1.00 0.00 N ATOM 461 CZ ARG A 27 -18.733 10.385 11.300 1.00 0.00 C ATOM 462 NH1 ARG A 27 -19.784 9.849 11.858 1.00 0.00 N ATOM 463 NH2 ARG A 27 -18.660 10.600 10.016 1.00 0.00 N ATOM 0 H ARG A 27 -14.228 14.236 12.973 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.900 15.694 11.019 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -17.716 14.621 12.938 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.642 14.210 11.236 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -16.018 12.403 11.684 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -15.889 12.879 13.366 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -17.789 11.730 13.920 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -18.705 12.505 12.643 1.00 0.00 H new ATOM 0 HE ARG A 27 -16.892 10.121 12.089 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -19.803 9.695 12.866 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -20.586 9.584 11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -17.821 11.020 9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -19.442 10.349 9.412 1.00 0.00 H new ATOM 477 N SER A 28 -15.010 16.030 14.060 1.00 0.00 N ATOM 478 CA SER A 28 -14.963 16.981 15.188 1.00 0.00 C ATOM 479 C SER A 28 -13.950 18.091 14.921 1.00 0.00 C ATOM 480 O SER A 28 -14.145 18.917 14.052 1.00 0.00 O ATOM 481 CB SER A 28 -14.540 16.207 16.446 1.00 0.00 C ATOM 482 OG SER A 28 -15.706 15.487 16.818 1.00 0.00 O ATOM 0 H SER A 28 -14.338 15.264 14.105 1.00 0.00 H new ATOM 0 HA SER A 28 -15.945 17.436 15.318 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.706 15.536 16.240 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.218 16.881 17.239 1.00 0.00 H new ATOM 0 HG SER A 28 -15.521 14.958 17.622 1.00 0.00 H new ATOM 488 N ASN A 29 -12.883 18.092 15.675 1.00 0.00 N ATOM 489 CA ASN A 29 -11.852 19.142 15.475 1.00 0.00 C ATOM 490 C ASN A 29 -10.461 18.635 15.856 1.00 0.00 C ATOM 491 O ASN A 29 -9.551 19.414 16.066 1.00 0.00 O ATOM 492 CB ASN A 29 -12.209 20.338 16.375 1.00 0.00 C ATOM 493 CG ASN A 29 -12.670 21.509 15.503 1.00 0.00 C ATOM 494 OD1 ASN A 29 -11.902 22.386 15.163 1.00 0.00 O ATOM 495 ND2 ASN A 29 -13.918 21.559 15.122 1.00 0.00 N ATOM 0 H ASN A 29 -12.685 17.416 16.413 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.834 19.426 14.423 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.997 20.059 17.075 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.344 20.631 16.970 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.243 22.332 14.542 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.567 20.825 15.405 1.00 0.00 H new ATOM 502 N ARG A 30 -10.313 17.339 15.930 1.00 0.00 N ATOM 503 CA ARG A 30 -9.000 16.782 16.293 1.00 0.00 C ATOM 504 C ARG A 30 -8.159 16.529 15.044 1.00 0.00 C ATOM 505 O ARG A 30 -8.681 16.388 13.968 1.00 0.00 O ATOM 506 CB ARG A 30 -9.266 15.473 17.058 1.00 0.00 C ATOM 507 CG ARG A 30 -8.681 14.267 16.331 1.00 0.00 C ATOM 508 CD ARG A 30 -8.944 13.046 17.187 1.00 0.00 C ATOM 509 NE ARG A 30 -8.922 11.824 16.331 1.00 0.00 N ATOM 510 CZ ARG A 30 -9.004 10.645 16.890 1.00 0.00 C ATOM 511 NH1 ARG A 30 -8.921 10.558 18.190 1.00 0.00 N ATOM 512 NH2 ARG A 30 -9.167 9.595 16.132 1.00 0.00 N ATOM 0 H ARG A 30 -11.047 16.653 15.754 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.438 17.479 16.914 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.834 15.541 18.057 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.340 15.337 17.184 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.140 14.152 15.349 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.611 14.399 16.170 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.190 12.968 17.970 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.910 13.138 17.683 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.844 11.908 15.317 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.794 11.401 18.750 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.983 9.647 18.645 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.228 9.702 15.119 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.233 8.668 16.552 1.00 0.00 H new ATOM 526 N VAL A 31 -6.868 16.455 15.227 1.00 0.00 N ATOM 527 CA VAL A 31 -5.965 16.214 14.061 1.00 0.00 C ATOM 528 C VAL A 31 -5.411 14.800 14.075 1.00 0.00 C ATOM 529 O VAL A 31 -5.093 14.271 15.123 1.00 0.00 O ATOM 530 CB VAL A 31 -4.793 17.200 14.163 1.00 0.00 C ATOM 531 CG1 VAL A 31 -5.233 18.562 13.623 1.00 0.00 C ATOM 532 CG2 VAL A 31 -4.391 17.350 15.633 1.00 0.00 C ATOM 0 H VAL A 31 -6.400 16.550 16.128 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.530 16.351 13.139 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.948 16.829 13.584 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.404 19.266 13.693 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.535 18.460 12.581 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.074 18.932 14.210 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.559 18.049 15.713 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.238 17.728 16.205 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.089 16.380 16.029 1.00 0.00 H new ATOM 542 N GLU A 32 -5.295 14.206 12.907 1.00 0.00 N ATOM 543 CA GLU A 32 -4.757 12.820 12.850 1.00 0.00 C ATOM 544 C GLU A 32 -3.276 12.822 12.528 1.00 0.00 C ATOM 545 O GLU A 32 -2.844 13.424 11.565 1.00 0.00 O ATOM 546 CB GLU A 32 -5.494 12.045 11.754 1.00 0.00 C ATOM 547 CG GLU A 32 -6.623 11.227 12.386 1.00 0.00 C ATOM 548 CD GLU A 32 -6.061 9.899 12.900 1.00 0.00 C ATOM 549 OE1 GLU A 32 -5.181 9.973 13.743 1.00 0.00 O ATOM 550 OE2 GLU A 32 -6.543 8.886 12.421 1.00 0.00 O ATOM 0 H GLU A 32 -5.547 14.619 12.009 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.904 12.353 13.824 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.899 12.735 11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.802 11.386 11.230 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.076 11.784 13.206 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.408 11.043 11.653 1.00 0.00 H new ATOM 557 N TYR A 33 -2.531 12.138 13.338 1.00 0.00 N ATOM 558 CA TYR A 33 -1.069 12.065 13.127 1.00 0.00 C ATOM 559 C TYR A 33 -0.709 10.737 12.501 1.00 0.00 C ATOM 560 O TYR A 33 -0.973 9.707 13.075 1.00 0.00 O ATOM 561 CB TYR A 33 -0.404 12.147 14.503 1.00 0.00 C ATOM 562 CG TYR A 33 1.034 12.657 14.373 1.00 0.00 C ATOM 563 CD1 TYR A 33 2.010 11.867 13.800 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.384 13.900 14.862 1.00 0.00 C ATOM 565 CE1 TYR A 33 3.314 12.312 13.722 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.687 14.344 14.782 1.00 0.00 C ATOM 567 CZ TYR A 33 3.662 13.552 14.212 1.00 0.00 C ATOM 568 OH TYR A 33 4.968 13.991 14.140 1.00 0.00 O ATOM 0 H TYR A 33 -2.877 11.621 14.146 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.740 12.873 12.473 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.975 12.812 15.151 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.407 11.164 14.974 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.751 10.894 13.410 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.631 14.530 15.311 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.068 11.683 13.273 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.946 15.319 15.168 1.00 0.00 H new ATOM 0 HH TYR A 33 5.034 14.887 14.531 1.00 0.00 H new ATOM 578 N CYS A 34 -0.110 10.780 11.335 1.00 0.00 N ATOM 579 CA CYS A 34 0.269 9.503 10.663 1.00 0.00 C ATOM 580 C CYS A 34 1.708 9.527 10.165 1.00 0.00 C ATOM 581 O CYS A 34 2.065 10.328 9.321 1.00 0.00 O ATOM 582 CB CYS A 34 -0.665 9.291 9.465 1.00 0.00 C ATOM 583 SG CYS A 34 -2.160 8.309 9.751 1.00 0.00 S ATOM 0 H CYS A 34 0.129 11.632 10.828 1.00 0.00 H new ATOM 0 HA CYS A 34 0.179 8.694 11.388 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.969 10.270 9.095 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.093 8.813 8.670 1.00 0.00 H new ATOM 588 N TRP A 35 2.507 8.634 10.707 1.00 0.00 N ATOM 589 CA TRP A 35 3.934 8.560 10.299 1.00 0.00 C ATOM 590 C TRP A 35 4.309 7.131 9.943 1.00 0.00 C ATOM 591 O TRP A 35 3.779 6.194 10.499 1.00 0.00 O ATOM 592 CB TRP A 35 4.806 9.019 11.477 1.00 0.00 C ATOM 593 CG TRP A 35 5.308 7.788 12.253 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.397 7.118 11.924 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.753 7.289 13.346 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.499 6.177 12.873 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.495 6.215 13.821 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.610 7.676 14.029 1.00 0.00 C ATOM 599 CZ2 TRP A 35 5.100 5.546 14.962 1.00 0.00 C ATOM 600 CZ3 TRP A 35 3.222 7.002 15.172 1.00 0.00 C ATOM 601 CH2 TRP A 35 3.966 5.939 15.637 1.00 0.00 C ATOM 0 H TRP A 35 2.224 7.956 11.415 1.00 0.00 H new ATOM 0 HA TRP A 35 4.091 9.198 9.429 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.652 9.602 11.112 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.232 9.669 12.137 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.054 7.289 11.084 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.254 5.491 12.893 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.021 8.506 13.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.682 4.712 15.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.333 7.309 15.702 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.660 5.415 16.530 1.00 0.00 H new ATOM 612 N CYS A 36 5.221 6.991 9.027 1.00 0.00 N ATOM 613 CA CYS A 36 5.643 5.626 8.621 1.00 0.00 C ATOM 614 C CYS A 36 6.648 5.022 9.587 1.00 0.00 C ATOM 615 O CYS A 36 7.747 5.509 9.726 1.00 0.00 O ATOM 616 CB CYS A 36 6.312 5.714 7.253 1.00 0.00 C ATOM 617 SG CYS A 36 6.007 4.362 6.091 1.00 0.00 S ATOM 0 H CYS A 36 5.690 7.757 8.544 1.00 0.00 H new ATOM 0 HA CYS A 36 4.754 4.995 8.608 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.993 6.643 6.781 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.388 5.789 7.408 1.00 0.00 H new ATOM 622 N ASN A 37 6.259 3.959 10.228 1.00 0.00 N ATOM 623 CA ASN A 37 7.186 3.315 11.183 1.00 0.00 C ATOM 624 C ASN A 37 8.106 2.357 10.438 1.00 0.00 C ATOM 625 O ASN A 37 9.155 1.984 10.923 1.00 0.00 O ATOM 626 CB ASN A 37 6.357 2.524 12.207 1.00 0.00 C ATOM 627 CG ASN A 37 7.179 1.341 12.720 1.00 0.00 C ATOM 628 OD1 ASN A 37 6.970 0.158 12.212 1.00 0.00 O flip ATOM 629 ND2 ASN A 37 8.017 1.484 13.588 1.00 0.00 N flip ATOM 0 H ASN A 37 5.346 3.514 10.131 1.00 0.00 H new ATOM 0 HA ASN A 37 7.788 4.073 11.685 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.071 3.170 13.037 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.435 2.168 11.748 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.184 2.407 13.988 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.553 0.681 13.916 1.00 0.00 H new ATOM 636 N SER A 38 7.683 1.978 9.258 1.00 0.00 N ATOM 637 CA SER A 38 8.499 1.046 8.443 1.00 0.00 C ATOM 638 C SER A 38 7.862 0.839 7.071 1.00 0.00 C ATOM 639 O SER A 38 8.543 0.592 6.096 1.00 0.00 O ATOM 640 CB SER A 38 8.567 -0.304 9.169 1.00 0.00 C ATOM 641 OG SER A 38 9.927 -0.417 9.566 1.00 0.00 O ATOM 0 H SER A 38 6.807 2.277 8.829 1.00 0.00 H new ATOM 0 HA SER A 38 9.497 1.464 8.309 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.898 -0.328 10.029 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.274 -1.124 8.514 1.00 0.00 H new ATOM 0 HG SER A 38 10.160 0.333 10.153 1.00 0.00 H new ATOM 647 N GLY A 39 6.559 0.948 7.025 1.00 0.00 N ATOM 648 CA GLY A 39 5.848 0.761 5.726 1.00 0.00 C ATOM 649 C GLY A 39 4.388 0.375 5.976 1.00 0.00 C ATOM 650 O GLY A 39 3.708 -0.100 5.087 1.00 0.00 O ATOM 0 H GLY A 39 5.961 1.157 7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.894 1.680 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.342 -0.014 5.140 1.00 0.00 H new ATOM 654 N ARG A 40 3.942 0.593 7.190 1.00 0.00 N ATOM 655 CA ARG A 40 2.533 0.256 7.544 1.00 0.00 C ATOM 656 C ARG A 40 1.791 1.502 7.999 1.00 0.00 C ATOM 657 O ARG A 40 0.690 1.426 8.508 1.00 0.00 O ATOM 658 CB ARG A 40 2.557 -0.753 8.705 1.00 0.00 C ATOM 659 CG ARG A 40 3.392 -0.175 9.850 1.00 0.00 C ATOM 660 CD ARG A 40 3.483 -1.202 10.979 1.00 0.00 C ATOM 661 NE ARG A 40 4.411 -0.684 12.024 1.00 0.00 N ATOM 662 CZ ARG A 40 4.813 -1.479 12.978 1.00 0.00 C ATOM 663 NH1 ARG A 40 5.607 -2.469 12.680 1.00 0.00 N ATOM 664 NH2 ARG A 40 4.404 -1.255 14.196 1.00 0.00 N ATOM 0 H ARG A 40 4.496 0.990 7.949 1.00 0.00 H new ATOM 0 HA ARG A 40 2.029 -0.160 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.542 -0.959 9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.980 -1.701 8.372 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.390 0.080 9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.939 0.746 10.217 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.496 -1.382 11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.843 -2.156 10.594 1.00 0.00 H new ATOM 0 HE ARG A 40 4.730 0.285 11.994 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.904 -2.612 11.715 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.932 -3.101 13.412 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.782 -0.470 14.389 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.707 -1.865 14.956 1.00 0.00 H new ATOM 678 N ALA A 41 2.413 2.630 7.803 1.00 0.00 N ATOM 679 CA ALA A 41 1.773 3.902 8.211 1.00 0.00 C ATOM 680 C ALA A 41 1.261 3.821 9.643 1.00 0.00 C ATOM 681 O ALA A 41 0.163 3.361 9.889 1.00 0.00 O ATOM 682 CB ALA A 41 0.584 4.183 7.275 1.00 0.00 C ATOM 0 H ALA A 41 3.336 2.722 7.378 1.00 0.00 H new ATOM 0 HA ALA A 41 2.513 4.700 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.105 5.118 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.940 4.262 6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.136 3.368 7.347 1.00 0.00 H new ATOM 688 N GLN A 42 2.072 4.269 10.565 1.00 0.00 N ATOM 689 CA GLN A 42 1.658 4.235 11.983 1.00 0.00 C ATOM 690 C GLN A 42 0.932 5.527 12.291 1.00 0.00 C ATOM 691 O GLN A 42 1.256 6.545 11.721 1.00 0.00 O ATOM 692 CB GLN A 42 2.929 4.146 12.843 1.00 0.00 C ATOM 693 CG GLN A 42 2.790 2.996 13.844 1.00 0.00 C ATOM 694 CD GLN A 42 1.672 3.314 14.836 1.00 0.00 C ATOM 695 OE1 GLN A 42 0.506 3.291 14.501 1.00 0.00 O ATOM 696 NE2 GLN A 42 1.985 3.612 16.067 1.00 0.00 N ATOM 0 H GLN A 42 3.000 4.655 10.390 1.00 0.00 H new ATOM 0 HA GLN A 42 1.007 3.385 12.187 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.800 3.986 12.208 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.089 5.085 13.372 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.570 2.067 13.318 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.730 2.847 14.375 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.964 3.633 16.354 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.251 3.824 16.743 1.00 0.00 H new ATOM 705 N CYS A 43 -0.045 5.493 13.163 1.00 0.00 N ATOM 706 CA CYS A 43 -0.750 6.770 13.450 1.00 0.00 C ATOM 707 C CYS A 43 -1.338 6.860 14.848 1.00 0.00 C ATOM 708 O CYS A 43 -1.508 5.877 15.541 1.00 0.00 O ATOM 709 CB CYS A 43 -1.895 6.907 12.429 1.00 0.00 C ATOM 710 SG CYS A 43 -1.488 6.644 10.682 1.00 0.00 S ATOM 0 H CYS A 43 -0.372 4.670 13.669 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.012 7.569 13.378 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.678 6.200 12.703 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.319 7.906 12.530 1.00 0.00 H new ATOM 715 N HIS A 44 -1.636 8.083 15.219 1.00 0.00 N ATOM 716 CA HIS A 44 -2.223 8.363 16.552 1.00 0.00 C ATOM 717 C HIS A 44 -3.040 9.630 16.463 1.00 0.00 C ATOM 718 O HIS A 44 -3.135 10.217 15.403 1.00 0.00 O ATOM 719 CB HIS A 44 -1.102 8.539 17.597 1.00 0.00 C ATOM 720 CG HIS A 44 -0.330 9.840 17.354 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.867 9.900 16.999 1.00 0.00 N ATOM 722 CD2 HIS A 44 -0.730 11.153 17.519 1.00 0.00 C ATOM 723 CE1 HIS A 44 1.272 11.099 16.923 1.00 0.00 C ATOM 724 NE2 HIS A 44 0.319 11.977 17.238 1.00 0.00 N ATOM 0 H HIS A 44 -1.491 8.908 14.638 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.857 7.530 16.857 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.531 8.547 18.599 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.419 7.691 17.550 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.716 11.474 17.822 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.275 11.378 16.636 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.363 12.996 17.262 1.00 0.00 H new ATOM 732 N SER A 45 -3.624 10.039 17.557 1.00 0.00 N ATOM 733 CA SER A 45 -4.441 11.286 17.507 1.00 0.00 C ATOM 734 C SER A 45 -4.220 12.184 18.713 1.00 0.00 C ATOM 735 O SER A 45 -4.439 11.793 19.843 1.00 0.00 O ATOM 736 CB SER A 45 -5.920 10.889 17.456 1.00 0.00 C ATOM 737 OG SER A 45 -6.520 11.902 16.662 1.00 0.00 O ATOM 0 H SER A 45 -3.574 9.576 18.464 1.00 0.00 H new ATOM 0 HA SER A 45 -4.138 11.847 16.623 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.053 9.902 17.012 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.358 10.852 18.453 1.00 0.00 H new ATOM 0 HG SER A 45 -6.496 11.636 15.719 1.00 0.00 H new ATOM 743 N VAL A 46 -3.780 13.381 18.428 1.00 0.00 N ATOM 744 CA VAL A 46 -3.522 14.371 19.503 1.00 0.00 C ATOM 745 C VAL A 46 -4.512 15.552 19.357 1.00 0.00 C ATOM 746 O VAL A 46 -4.221 16.505 18.661 1.00 0.00 O ATOM 747 CB VAL A 46 -2.097 14.920 19.311 1.00 0.00 C ATOM 748 CG1 VAL A 46 -1.121 14.107 20.162 1.00 0.00 C ATOM 749 CG2 VAL A 46 -1.703 14.800 17.837 1.00 0.00 C ATOM 0 H VAL A 46 -3.588 13.714 17.483 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.638 13.902 20.480 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.064 15.966 19.616 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.111 14.494 20.027 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.402 14.184 21.212 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.153 13.062 19.854 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.694 15.188 17.697 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.734 13.753 17.536 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.400 15.374 17.226 1.00 0.00 H new ATOM 759 N PRO A 47 -5.676 15.478 20.014 1.00 0.00 N ATOM 760 CA PRO A 47 -6.661 16.557 19.919 1.00 0.00 C ATOM 761 C PRO A 47 -6.113 17.886 20.398 1.00 0.00 C ATOM 762 O PRO A 47 -4.987 17.979 20.849 1.00 0.00 O ATOM 763 CB PRO A 47 -7.826 16.125 20.829 1.00 0.00 C ATOM 764 CG PRO A 47 -7.499 14.695 21.353 1.00 0.00 C ATOM 765 CD PRO A 47 -6.073 14.354 20.888 1.00 0.00 C ATOM 0 HA PRO A 47 -6.958 16.707 18.881 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.943 16.821 21.660 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.766 16.126 20.277 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.568 14.659 22.440 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.214 13.970 20.964 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.395 14.255 21.736 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.050 13.407 20.348 1.00 0.00 H new ATOM 773 N VAL A 48 -6.938 18.889 20.287 1.00 0.00 N ATOM 774 CA VAL A 48 -6.529 20.249 20.719 1.00 0.00 C ATOM 775 C VAL A 48 -7.517 20.820 21.724 1.00 0.00 C ATOM 776 O VAL A 48 -8.197 21.790 21.453 1.00 0.00 O ATOM 777 CB VAL A 48 -6.510 21.140 19.495 1.00 0.00 C ATOM 778 CG1 VAL A 48 -6.152 22.570 19.906 1.00 0.00 C ATOM 779 CG2 VAL A 48 -5.462 20.618 18.508 1.00 0.00 C ATOM 0 H VAL A 48 -7.884 18.822 19.913 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.548 20.198 21.191 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.494 21.135 19.025 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.139 23.210 19.024 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.894 22.942 20.613 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.168 22.578 20.375 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.444 21.256 17.625 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.480 20.626 18.981 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.714 19.599 18.214 1.00 0.00 H new ATOM 789 N LYS A 49 -7.581 20.205 22.872 1.00 0.00 N ATOM 790 CA LYS A 49 -8.518 20.692 23.913 1.00 0.00 C ATOM 791 C LYS A 49 -8.351 22.189 24.148 1.00 0.00 C ATOM 792 O LYS A 49 -7.512 22.610 24.921 1.00 0.00 O ATOM 793 CB LYS A 49 -8.212 19.946 25.220 1.00 0.00 C ATOM 794 CG LYS A 49 -9.145 18.736 25.338 1.00 0.00 C ATOM 795 CD LYS A 49 -10.526 19.203 25.811 1.00 0.00 C ATOM 796 CE LYS A 49 -11.608 18.460 25.024 1.00 0.00 C ATOM 797 NZ LYS A 49 -11.294 17.005 24.943 1.00 0.00 N ATOM 0 H LYS A 49 -7.026 19.389 23.131 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.541 20.510 23.583 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.172 19.621 25.233 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.349 20.611 26.073 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.229 18.232 24.375 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.733 18.012 26.041 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.641 19.013 26.878 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.628 20.278 25.666 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.576 18.602 25.504 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.686 18.877 24.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.179 16.460 24.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.737 16.817 24.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.746 16.721 25.780 1.00 0.00 H new ATOM 811 N SER A 50 -9.158 22.966 23.473 1.00 0.00 N ATOM 812 CA SER A 50 -9.069 24.439 23.640 1.00 0.00 C ATOM 813 C SER A 50 -10.453 25.068 23.598 1.00 0.00 C ATOM 814 O SER A 50 -10.682 25.929 24.431 1.00 0.00 O ATOM 815 CB SER A 50 -8.233 25.012 22.484 1.00 0.00 C ATOM 816 OG SER A 50 -8.752 26.322 22.299 1.00 0.00 O ATOM 817 OXT SER A 50 -11.211 24.652 22.735 1.00 0.00 O ATOM 0 H SER A 50 -9.870 22.642 22.818 1.00 0.00 H new ATOM 0 HA SER A 50 -8.609 24.661 24.603 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.172 25.035 22.732 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.336 24.411 21.581 1.00 0.00 H new ATOM 0 HG SER A 50 -8.268 26.766 21.571 1.00 0.00 H new TER 823 SER A 50