USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 565 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 40 ASN : amide:sc= -6.6! C(o=-8.2!,f=-8.8!) USER MOD Set 1.2: A 79 THR OG1 : rot 160:sc= -1.55 USER MOD Set 2.1: A 7 CYS SG : rot -21:sc= -3.56! USER MOD Set 2.2: A 12 CYS SG : rot 143:sc= -9.69! USER MOD Set 2.3: A 14 ASN :FLIP amide:sc= -18.5! C(o=-69!,f=-60!) USER MOD Set 2.4: A 62 CYS SG : rot 14:sc= -4.2! USER MOD Set 2.5: A 65 HIS :FLIP no HE2:sc= -24.5! C(o=-62!,f=-60!) USER MOD Set 3.1: A 8 CYS SG : rot 142:sc= -1.27 USER MOD Set 3.2: A 42 SER OG : rot 159:sc= 0.658 USER MOD Single : A 6 THR OG1 : rot 112:sc= -1.03! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.47 K(o=-3.5,f=-11!) USER MOD Single : A 16 SER OG : rot 172:sc= -2.23! USER MOD Single : A 17 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.6) USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= -0.615 (180deg=-1.62!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= -0.15 (180deg=-1.16) USER MOD Single : A 52 THR OG1 : rot -63:sc= 0.576 USER MOD Single : A 54 GLN : amide:sc=-0.00163 X(o=-0.0016,f=-0.13) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-10!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -4.14! C(o=-4.1!,f=-4.3!) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 0.13 (180deg=-0.0739) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0753 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 35 N GLY A 4 4.369 12.613 -0.924 1.00 0.00 N ATOM 36 CA GLY A 4 3.123 11.867 -0.867 1.00 0.00 C ATOM 37 C GLY A 4 3.307 10.396 -1.226 1.00 0.00 C ATOM 38 O GLY A 4 4.429 9.980 -1.510 1.00 0.00 O ATOM 0 HA2 GLY A 4 2.703 11.943 0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.402 12.317 -1.550 1.00 0.00 H new ATOM 42 N PHE A 5 2.210 9.606 -1.242 1.00 0.00 N ATOM 43 CA PHE A 5 2.277 8.194 -1.597 1.00 0.00 C ATOM 44 C PHE A 5 1.065 7.400 -1.100 1.00 0.00 C ATOM 45 O PHE A 5 1.070 6.178 -1.189 1.00 0.00 O ATOM 46 CB PHE A 5 3.535 7.507 -1.125 1.00 0.00 C ATOM 47 CG PHE A 5 3.691 7.492 0.364 1.00 0.00 C ATOM 48 CD1 PHE A 5 2.895 6.675 1.143 1.00 0.00 C ATOM 49 CD2 PHE A 5 4.633 8.297 0.980 1.00 0.00 C ATOM 50 CE1 PHE A 5 3.036 6.660 2.519 1.00 0.00 C ATOM 51 CE2 PHE A 5 4.780 8.288 2.352 1.00 0.00 C ATOM 52 CZ PHE A 5 3.980 7.467 3.124 1.00 0.00 C ATOM 0 H PHE A 5 1.272 9.935 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 5 2.281 8.200 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.537 6.481 -1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.398 8.005 -1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.156 6.042 0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.260 8.940 0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.409 6.018 3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.518 8.921 2.821 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.093 7.456 4.198 1.00 0.00 H new ATOM 62 N THR A 6 0.005 8.109 -0.649 1.00 0.00 N ATOM 63 CA THR A 6 -1.261 7.487 -0.216 1.00 0.00 C ATOM 64 C THR A 6 -1.525 6.172 -0.933 1.00 0.00 C ATOM 65 O THR A 6 -2.504 6.029 -1.659 1.00 0.00 O ATOM 66 CB THR A 6 -2.406 8.479 -0.430 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.900 9.769 -0.697 1.00 0.00 O ATOM 68 CG2 THR A 6 -3.355 8.628 0.729 1.00 0.00 C ATOM 0 H THR A 6 0.006 9.126 -0.576 1.00 0.00 H new ATOM 0 HA THR A 6 -1.186 7.246 0.844 1.00 0.00 H new ATOM 0 HB THR A 6 -2.960 8.055 -1.268 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.092 10.010 -1.627 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.128 9.353 0.475 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.818 7.665 0.947 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.807 8.974 1.606 1.00 0.00 H new ATOM 76 N CYS A 7 -0.638 5.203 -0.696 1.00 0.00 N ATOM 77 CA CYS A 7 -0.762 3.883 -1.289 1.00 0.00 C ATOM 78 C CYS A 7 -0.908 3.969 -2.814 1.00 0.00 C ATOM 79 O CYS A 7 -1.336 3.009 -3.452 1.00 0.00 O ATOM 80 CB CYS A 7 -1.976 3.210 -0.633 1.00 0.00 C ATOM 81 SG CYS A 7 -2.732 1.823 -1.512 1.00 0.00 S ATOM 0 H CYS A 7 0.177 5.316 -0.093 1.00 0.00 H new ATOM 0 HA CYS A 7 0.136 3.292 -1.111 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.675 2.859 0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.742 3.971 -0.481 1.00 0.00 H new ATOM 0 HG CYS A 7 -2.419 1.885 -2.772 1.00 0.00 H new ATOM 86 N CYS A 8 -0.561 5.129 -3.397 1.00 0.00 N ATOM 87 CA CYS A 8 -0.692 5.335 -4.848 1.00 0.00 C ATOM 88 C CYS A 8 -1.771 4.416 -5.375 1.00 0.00 C ATOM 89 O CYS A 8 -1.518 3.451 -6.092 1.00 0.00 O ATOM 90 CB CYS A 8 0.632 5.110 -5.562 1.00 0.00 C ATOM 91 SG CYS A 8 0.694 5.847 -7.214 1.00 0.00 S ATOM 0 H CYS A 8 -0.190 5.932 -2.890 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.976 6.369 -5.042 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.438 5.526 -4.957 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.815 4.038 -5.643 1.00 0.00 H new ATOM 0 HG CYS A 8 1.876 6.347 -7.422 1.00 0.00 H new ATOM 97 N VAL A 9 -2.969 4.702 -4.915 1.00 0.00 N ATOM 98 CA VAL A 9 -4.131 3.896 -5.212 1.00 0.00 C ATOM 99 C VAL A 9 -5.003 4.487 -6.311 1.00 0.00 C ATOM 100 O VAL A 9 -5.369 5.661 -6.267 1.00 0.00 O ATOM 101 CB VAL A 9 -4.958 3.713 -3.918 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.200 4.243 -2.723 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.341 4.350 -4.018 1.00 0.00 C ATOM 0 H VAL A 9 -3.165 5.507 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.778 2.934 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.115 2.643 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.798 4.105 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.259 3.702 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.995 5.304 -2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.882 4.194 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.237 5.419 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.894 3.892 -4.838 1.00 0.00 H new ATOM 113 N PRO A 10 -5.373 3.664 -7.304 1.00 0.00 N ATOM 114 CA PRO A 10 -6.226 4.094 -8.394 1.00 0.00 C ATOM 115 C PRO A 10 -7.706 3.921 -8.061 1.00 0.00 C ATOM 116 O PRO A 10 -8.569 4.260 -8.871 1.00 0.00 O ATOM 117 CB PRO A 10 -5.819 3.149 -9.519 1.00 0.00 C ATOM 118 CG PRO A 10 -5.464 1.872 -8.830 1.00 0.00 C ATOM 119 CD PRO A 10 -5.008 2.238 -7.435 1.00 0.00 C ATOM 0 HA PRO A 10 -6.109 5.151 -8.632 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.634 3.003 -10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.973 3.544 -10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.323 1.202 -8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.675 1.349 -9.369 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.504 1.628 -6.680 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.935 2.087 -7.313 1.00 0.00 H new ATOM 127 N GLY A 11 -8.005 3.377 -6.874 1.00 0.00 N ATOM 128 CA GLY A 11 -9.394 3.171 -6.512 1.00 0.00 C ATOM 129 C GLY A 11 -9.697 3.106 -5.015 1.00 0.00 C ATOM 130 O GLY A 11 -10.804 3.468 -4.615 1.00 0.00 O ATOM 0 H GLY A 11 -7.322 3.083 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.985 3.977 -6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.734 2.243 -6.971 1.00 0.00 H new ATOM 134 N CYS A 12 -8.776 2.612 -4.173 1.00 0.00 N ATOM 135 CA CYS A 12 -9.102 2.502 -2.743 1.00 0.00 C ATOM 136 C CYS A 12 -9.437 3.856 -2.092 1.00 0.00 C ATOM 137 O CYS A 12 -9.620 4.864 -2.776 1.00 0.00 O ATOM 138 CB CYS A 12 -8.062 1.726 -1.895 1.00 0.00 C ATOM 139 SG CYS A 12 -6.396 1.523 -2.556 1.00 0.00 S ATOM 0 H CYS A 12 -7.843 2.296 -4.439 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.007 1.894 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.978 2.229 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.466 0.732 -1.702 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.532 1.601 -1.587 1.00 0.00 H new ATOM 144 N TYR A 13 -9.573 3.833 -0.761 1.00 0.00 N ATOM 145 CA TYR A 13 -9.953 4.997 0.040 1.00 0.00 C ATOM 146 C TYR A 13 -9.042 6.225 -0.146 1.00 0.00 C ATOM 147 O TYR A 13 -9.516 7.358 -0.180 1.00 0.00 O ATOM 148 CB TYR A 13 -9.992 4.603 1.521 1.00 0.00 C ATOM 149 CG TYR A 13 -11.261 5.028 2.228 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.497 4.519 1.847 1.00 0.00 C ATOM 151 CD2 TYR A 13 -11.222 5.941 3.275 1.00 0.00 C ATOM 152 CE1 TYR A 13 -13.657 4.907 2.491 1.00 0.00 C ATOM 153 CE2 TYR A 13 -12.377 6.333 3.923 1.00 0.00 C ATOM 154 CZ TYR A 13 -13.592 5.814 3.527 1.00 0.00 C ATOM 155 OH TYR A 13 -14.745 6.203 4.171 1.00 0.00 O ATOM 0 H TYR A 13 -9.419 2.992 -0.204 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.938 5.301 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.885 3.521 1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.136 5.048 2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.552 3.809 1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.273 6.351 3.587 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.610 4.501 2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.329 7.042 4.736 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.524 6.846 4.877 1.00 0.00 H new ATOM 165 N ASN A 14 -7.736 5.976 -0.186 1.00 0.00 N ATOM 166 CA ASN A 14 -6.700 7.021 -0.266 1.00 0.00 C ATOM 167 C ASN A 14 -5.777 6.864 -1.477 1.00 0.00 C ATOM 168 O ASN A 14 -5.700 5.770 -1.997 1.00 0.00 O ATOM 169 CB ASN A 14 -5.807 7.092 0.946 1.00 0.00 C ATOM 170 CG ASN A 14 -5.911 6.001 2.012 1.00 0.00 C ATOM 171 OD1 ASN A 14 -7.011 5.259 2.082 1.00 0.00 O flip ATOM 172 ND2 ASN A 14 -4.988 5.860 2.813 1.00 0.00 N flip ATOM 0 H ASN A 14 -7.354 5.030 -0.164 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.289 7.935 -0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.776 7.109 0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.993 8.048 1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.154 6.442 2.738 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.057 5.161 3.552 1.00 0.00 H new ATOM 179 N ASN A 15 -5.066 7.942 -1.950 1.00 0.00 N ATOM 180 CA ASN A 15 -4.173 7.746 -3.114 1.00 0.00 C ATOM 181 C ASN A 15 -2.791 8.544 -3.033 1.00 0.00 C ATOM 182 O ASN A 15 -2.819 9.746 -2.772 1.00 0.00 O ATOM 183 CB ASN A 15 -4.910 8.102 -4.411 1.00 0.00 C ATOM 184 CG ASN A 15 -4.035 7.952 -5.641 1.00 0.00 C ATOM 185 OD1 ASN A 15 -2.898 7.488 -5.556 1.00 0.00 O ATOM 186 ND2 ASN A 15 -4.564 8.345 -6.796 1.00 0.00 N ATOM 0 H ASN A 15 -5.096 8.887 -1.566 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.905 6.689 -3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.787 7.462 -4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.270 9.129 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.023 8.267 -7.657 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.511 8.724 -6.821 1.00 0.00 H new ATOM 193 N SER A 16 -1.583 7.864 -3.210 1.00 0.00 N ATOM 194 CA SER A 16 -0.257 8.450 -3.099 1.00 0.00 C ATOM 195 C SER A 16 -0.171 9.982 -3.165 1.00 0.00 C ATOM 196 O SER A 16 -0.600 10.671 -2.244 1.00 0.00 O ATOM 197 CB SER A 16 0.749 7.755 -4.068 1.00 0.00 C ATOM 198 OG SER A 16 1.814 8.618 -4.435 1.00 0.00 O ATOM 0 H SER A 16 -1.553 6.870 -3.438 1.00 0.00 H new ATOM 0 HA SER A 16 0.037 8.243 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.153 6.862 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.222 7.427 -4.964 1.00 0.00 H new ATOM 0 HG SER A 16 2.489 8.111 -4.933 1.00 0.00 H new ATOM 204 N HIS A 17 0.437 10.514 -4.218 1.00 0.00 N ATOM 205 CA HIS A 17 0.626 11.953 -4.347 1.00 0.00 C ATOM 206 C HIS A 17 -0.700 12.656 -4.609 1.00 0.00 C ATOM 207 O HIS A 17 -0.840 13.393 -5.586 1.00 0.00 O ATOM 208 CB HIS A 17 1.629 12.245 -5.469 1.00 0.00 C ATOM 209 CG HIS A 17 1.125 11.901 -6.837 1.00 0.00 C ATOM 210 ND1 HIS A 17 0.044 11.072 -7.055 1.00 0.00 N ATOM 211 CD2 HIS A 17 1.559 12.281 -8.062 1.00 0.00 C ATOM 212 CE1 HIS A 17 -0.162 10.955 -8.355 1.00 0.00 C ATOM 213 NE2 HIS A 17 0.742 11.680 -8.987 1.00 0.00 N ATOM 0 H HIS A 17 0.808 9.969 -4.996 1.00 0.00 H new ATOM 0 HA HIS A 17 1.024 12.339 -3.409 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.890 13.303 -5.444 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.545 11.686 -5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.392 12.935 -8.272 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.938 10.366 -8.821 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.821 11.778 -9.999 1.00 0.00 H new ATOM 222 N ARG A 18 -1.687 12.404 -3.749 1.00 0.00 N ATOM 223 CA ARG A 18 -3.000 12.997 -3.922 1.00 0.00 C ATOM 224 C ARG A 18 -3.706 13.301 -2.594 1.00 0.00 C ATOM 225 O ARG A 18 -4.818 13.831 -2.600 1.00 0.00 O ATOM 226 CB ARG A 18 -3.854 12.042 -4.745 1.00 0.00 C ATOM 227 CG ARG A 18 -5.067 12.692 -5.368 1.00 0.00 C ATOM 228 CD ARG A 18 -5.599 11.848 -6.514 1.00 0.00 C ATOM 229 NE ARG A 18 -5.739 12.622 -7.745 1.00 0.00 N ATOM 230 CZ ARG A 18 -4.741 12.852 -8.596 1.00 0.00 C ATOM 231 NH1 ARG A 18 -3.525 12.379 -8.350 1.00 0.00 N ATOM 232 NH2 ARG A 18 -4.958 13.560 -9.695 1.00 0.00 N ATOM 0 H ARG A 18 -1.597 11.797 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.868 13.953 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.240 11.609 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.181 11.220 -4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.844 12.822 -4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.807 13.686 -5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.926 11.008 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.567 11.429 -6.237 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.656 13.010 -7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.351 11.836 -7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.765 12.559 -9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.889 13.929 -9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.194 13.736 -10.347 1.00 0.00 H new ATOM 246 N ASP A 19 -3.088 12.966 -1.459 1.00 0.00 N ATOM 247 CA ASP A 19 -3.735 13.225 -0.166 1.00 0.00 C ATOM 248 C ASP A 19 -2.784 13.148 1.047 1.00 0.00 C ATOM 249 O ASP A 19 -2.531 14.157 1.705 1.00 0.00 O ATOM 250 CB ASP A 19 -4.931 12.271 0.004 1.00 0.00 C ATOM 251 CG ASP A 19 -5.133 11.810 1.427 1.00 0.00 C ATOM 252 OD1 ASP A 19 -5.508 12.652 2.268 1.00 0.00 O ATOM 253 OD2 ASP A 19 -4.904 10.617 1.706 1.00 0.00 O ATOM 0 H ASP A 19 -2.168 12.528 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.077 14.260 -0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.837 12.771 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.785 11.400 -0.635 1.00 0.00 H new ATOM 258 N LYS A 20 -2.295 11.951 1.349 1.00 0.00 N ATOM 259 CA LYS A 20 -1.398 11.714 2.496 1.00 0.00 C ATOM 260 C LYS A 20 -2.104 11.895 3.853 1.00 0.00 C ATOM 261 O LYS A 20 -1.451 11.972 4.893 1.00 0.00 O ATOM 262 CB LYS A 20 -0.198 12.657 2.435 1.00 0.00 C ATOM 263 CG LYS A 20 0.686 12.432 1.227 1.00 0.00 C ATOM 264 CD LYS A 20 1.101 13.745 0.578 1.00 0.00 C ATOM 265 CE LYS A 20 0.545 13.872 -0.832 1.00 0.00 C ATOM 266 NZ LYS A 20 -0.644 14.767 -0.879 1.00 0.00 N ATOM 0 H LYS A 20 -2.504 11.110 0.811 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.073 10.676 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.555 13.687 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.398 12.533 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.575 11.877 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.157 11.818 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.749 14.579 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.189 13.809 0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.319 14.260 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.272 12.885 -1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.261 14.484 -1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.170 14.693 0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.333 15.750 -1.018 1.00 0.00 H new ATOM 280 N ALA A 21 -3.429 11.976 3.833 1.00 0.00 N ATOM 281 CA ALA A 21 -4.226 12.167 5.062 1.00 0.00 C ATOM 282 C ALA A 21 -4.999 10.911 5.567 1.00 0.00 C ATOM 283 O ALA A 21 -5.057 10.688 6.776 1.00 0.00 O ATOM 284 CB ALA A 21 -5.198 13.321 4.866 1.00 0.00 C ATOM 0 H ALA A 21 -3.986 11.913 2.981 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.497 12.383 5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.785 13.460 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.641 14.233 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.865 13.098 4.033 1.00 0.00 H new ATOM 290 N LEU A 22 -5.628 10.123 4.672 1.00 0.00 N ATOM 291 CA LEU A 22 -6.416 8.946 5.062 1.00 0.00 C ATOM 292 C LEU A 22 -5.547 7.968 5.921 1.00 0.00 C ATOM 293 O LEU A 22 -4.575 8.419 6.526 1.00 0.00 O ATOM 294 CB LEU A 22 -7.045 8.339 3.768 1.00 0.00 C ATOM 295 CG LEU A 22 -7.438 9.355 2.672 1.00 0.00 C ATOM 296 CD1 LEU A 22 -8.663 8.890 1.903 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.712 10.714 3.259 1.00 0.00 C ATOM 0 H LEU A 22 -5.602 10.287 3.666 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.247 9.202 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.337 7.628 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.934 7.774 4.049 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.592 9.425 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.914 9.626 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.452 7.932 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.503 8.778 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.986 11.406 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.531 10.643 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.818 11.079 3.765 1.00 0.00 H new ATOM 309 N HIS A 23 -5.884 6.662 6.051 1.00 0.00 N ATOM 310 CA HIS A 23 -5.110 5.773 6.908 1.00 0.00 C ATOM 311 C HIS A 23 -4.098 4.927 6.101 1.00 0.00 C ATOM 312 O HIS A 23 -4.411 4.491 4.992 1.00 0.00 O ATOM 313 CB HIS A 23 -6.083 4.839 7.636 1.00 0.00 C ATOM 314 CG HIS A 23 -5.875 4.779 9.118 1.00 0.00 C ATOM 315 ND1 HIS A 23 -4.679 4.408 9.696 1.00 0.00 N ATOM 316 CD2 HIS A 23 -6.720 5.043 10.142 1.00 0.00 C ATOM 317 CE1 HIS A 23 -4.798 4.446 11.011 1.00 0.00 C ATOM 318 NE2 HIS A 23 -6.025 4.828 11.307 1.00 0.00 N ATOM 0 H HIS A 23 -6.673 6.221 5.578 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.542 6.380 7.613 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.103 5.166 7.435 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.983 3.835 7.224 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.748 5.363 10.059 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.022 4.205 11.723 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.398 4.945 12.249 1.00 0.00 H new ATOM 327 N PHE A 24 -2.879 4.689 6.645 1.00 0.00 N ATOM 328 CA PHE A 24 -1.875 3.901 5.941 1.00 0.00 C ATOM 329 C PHE A 24 -1.313 2.753 6.866 1.00 0.00 C ATOM 330 O PHE A 24 -0.795 3.053 7.942 1.00 0.00 O ATOM 331 CB PHE A 24 -0.696 4.811 5.491 1.00 0.00 C ATOM 332 CG PHE A 24 -1.040 5.993 4.580 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.088 6.862 4.872 1.00 0.00 C ATOM 334 CD2 PHE A 24 -0.289 6.250 3.426 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.380 7.935 4.034 1.00 0.00 C ATOM 336 CE2 PHE A 24 -0.582 7.304 2.601 1.00 0.00 C ATOM 337 CZ PHE A 24 -1.623 8.151 2.889 1.00 0.00 C ATOM 0 H PHE A 24 -2.584 5.033 7.559 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.351 3.455 5.068 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.210 5.202 6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.036 4.188 4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.682 6.702 5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.540 5.603 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.196 8.600 4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.012 7.470 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.851 8.977 2.232 1.00 0.00 H new ATOM 347 N TYR A 25 -1.378 1.454 6.453 1.00 0.00 N ATOM 348 CA TYR A 25 -0.842 0.327 7.247 1.00 0.00 C ATOM 349 C TYR A 25 0.658 0.200 6.954 1.00 0.00 C ATOM 350 O TYR A 25 1.091 0.652 5.910 1.00 0.00 O ATOM 351 CB TYR A 25 -1.507 -1.014 6.871 1.00 0.00 C ATOM 352 CG TYR A 25 -2.909 -1.200 7.399 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.863 -0.204 7.268 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.277 -2.387 8.024 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.149 -0.381 7.748 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.557 -2.574 8.505 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.490 -1.568 8.365 1.00 0.00 C ATOM 358 OH TYR A 25 -6.768 -1.748 8.844 1.00 0.00 O ATOM 0 H TYR A 25 -1.800 1.169 5.569 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.042 0.532 8.299 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.530 -1.099 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.884 -1.828 7.242 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.599 0.725 6.784 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.548 -3.176 8.135 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.882 0.405 7.640 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.826 -3.502 8.988 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.843 -2.637 9.249 1.00 0.00 H new ATOM 368 N THR A 26 1.471 -0.395 7.842 1.00 0.00 N ATOM 369 CA THR A 26 2.909 -0.473 7.571 1.00 0.00 C ATOM 370 C THR A 26 3.303 -1.861 7.051 1.00 0.00 C ATOM 371 O THR A 26 2.455 -2.747 6.934 1.00 0.00 O ATOM 372 CB THR A 26 3.721 -0.109 8.825 1.00 0.00 C ATOM 373 OG1 THR A 26 4.279 -1.266 9.426 1.00 0.00 O ATOM 374 CG2 THR A 26 2.909 0.606 9.887 1.00 0.00 C ATOM 0 H THR A 26 1.169 -0.814 8.722 1.00 0.00 H new ATOM 0 HA THR A 26 3.141 0.252 6.791 1.00 0.00 H new ATOM 0 HB THR A 26 4.499 0.565 8.467 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.792 -1.007 10.220 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.546 0.831 10.742 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.510 1.534 9.477 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.086 -0.033 10.207 1.00 0.00 H new ATOM 382 N PHE A 27 4.562 -2.004 6.611 1.00 0.00 N ATOM 383 CA PHE A 27 5.000 -3.231 5.962 1.00 0.00 C ATOM 384 C PHE A 27 5.668 -4.310 6.838 1.00 0.00 C ATOM 385 O PHE A 27 6.380 -3.990 7.791 1.00 0.00 O ATOM 386 CB PHE A 27 6.026 -2.871 4.897 1.00 0.00 C ATOM 387 CG PHE A 27 5.463 -2.527 3.561 1.00 0.00 C ATOM 388 CD1 PHE A 27 4.314 -1.767 3.441 1.00 0.00 C ATOM 389 CD2 PHE A 27 6.093 -2.968 2.417 1.00 0.00 C ATOM 390 CE1 PHE A 27 3.806 -1.461 2.196 1.00 0.00 C ATOM 391 CE2 PHE A 27 5.598 -2.673 1.187 1.00 0.00 C ATOM 392 CZ PHE A 27 4.449 -1.921 1.063 1.00 0.00 C ATOM 0 H PHE A 27 5.283 -1.287 6.695 1.00 0.00 H new ATOM 0 HA PHE A 27 4.070 -3.669 5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.614 -2.026 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.712 -3.710 4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.811 -1.411 4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.994 -3.557 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.910 -0.865 2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.106 -3.029 0.303 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.053 -1.693 0.084 1.00 0.00 H new ATOM 402 N PRO A 28 5.488 -5.621 6.469 1.00 0.00 N ATOM 403 CA PRO A 28 6.126 -6.761 7.167 1.00 0.00 C ATOM 404 C PRO A 28 7.602 -6.478 7.502 1.00 0.00 C ATOM 405 O PRO A 28 8.143 -5.450 7.097 1.00 0.00 O ATOM 406 CB PRO A 28 6.074 -7.848 6.071 1.00 0.00 C ATOM 407 CG PRO A 28 4.784 -7.599 5.408 1.00 0.00 C ATOM 408 CD PRO A 28 4.627 -6.112 5.352 1.00 0.00 C ATOM 0 HA PRO A 28 5.641 -7.006 8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.908 -7.758 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.121 -8.851 6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.770 -8.030 4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.965 -8.057 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.951 -5.711 4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.587 -5.814 5.487 1.00 0.00 H new ATOM 416 N LYS A 29 8.257 -7.386 8.239 1.00 0.00 N ATOM 417 CA LYS A 29 9.665 -7.195 8.606 1.00 0.00 C ATOM 418 C LYS A 29 10.603 -7.814 7.568 1.00 0.00 C ATOM 419 O LYS A 29 11.806 -7.551 7.572 1.00 0.00 O ATOM 420 CB LYS A 29 9.962 -7.798 9.990 1.00 0.00 C ATOM 421 CG LYS A 29 8.741 -8.342 10.721 1.00 0.00 C ATOM 422 CD LYS A 29 9.110 -8.884 12.093 1.00 0.00 C ATOM 423 CE LYS A 29 8.210 -10.042 12.499 1.00 0.00 C ATOM 424 NZ LYS A 29 8.993 -11.263 12.833 1.00 0.00 N ATOM 0 H LYS A 29 7.840 -8.249 8.588 1.00 0.00 H new ATOM 0 HA LYS A 29 9.843 -6.120 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.687 -8.603 9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.431 -7.035 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.998 -7.552 10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.282 -9.133 10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.149 -9.215 12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.034 -8.087 12.832 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.609 -9.750 13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.518 -10.265 11.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.343 -12.029 13.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.548 -11.557 12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.636 -11.058 13.624 1.00 0.00 H new ATOM 438 N ASP A 30 10.049 -8.638 6.687 1.00 0.00 N ATOM 439 CA ASP A 30 10.837 -9.300 5.646 1.00 0.00 C ATOM 440 C ASP A 30 10.956 -8.396 4.410 1.00 0.00 C ATOM 441 O ASP A 30 9.952 -8.084 3.770 1.00 0.00 O ATOM 442 CB ASP A 30 10.185 -10.647 5.259 1.00 0.00 C ATOM 443 CG ASP A 30 8.929 -10.963 6.054 1.00 0.00 C ATOM 444 OD1 ASP A 30 9.055 -11.471 7.188 1.00 0.00 O ATOM 445 OD2 ASP A 30 7.820 -10.703 5.540 1.00 0.00 O ATOM 0 H ASP A 30 9.055 -8.866 6.670 1.00 0.00 H new ATOM 0 HA ASP A 30 11.837 -9.492 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.939 -10.631 4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.910 -11.448 5.406 1.00 0.00 H new ATOM 450 N ALA A 31 12.183 -7.956 4.087 1.00 0.00 N ATOM 451 CA ALA A 31 12.408 -7.074 2.949 1.00 0.00 C ATOM 452 C ALA A 31 11.579 -7.468 1.685 1.00 0.00 C ATOM 453 O ALA A 31 10.682 -6.729 1.284 1.00 0.00 O ATOM 454 CB ALA A 31 13.914 -6.965 2.671 1.00 0.00 C ATOM 0 H ALA A 31 13.028 -8.201 4.602 1.00 0.00 H new ATOM 0 HA ALA A 31 12.036 -6.084 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.080 -6.305 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.418 -6.559 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.315 -7.954 2.447 1.00 0.00 H new ATOM 460 N GLU A 32 11.854 -8.619 1.052 1.00 0.00 N ATOM 461 CA GLU A 32 11.109 -9.022 -0.161 1.00 0.00 C ATOM 462 C GLU A 32 9.619 -8.996 0.016 1.00 0.00 C ATOM 463 O GLU A 32 8.972 -8.214 -0.677 1.00 0.00 O ATOM 464 CB GLU A 32 11.592 -10.390 -0.668 1.00 0.00 C ATOM 465 CG GLU A 32 10.699 -11.032 -1.724 1.00 0.00 C ATOM 466 CD GLU A 32 9.496 -11.736 -1.127 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.577 -12.160 0.046 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.474 -11.867 -1.833 1.00 0.00 O ATOM 0 H GLU A 32 12.572 -9.279 1.349 1.00 0.00 H new ATOM 0 HA GLU A 32 11.328 -8.272 -0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.594 -10.276 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.672 -11.069 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.357 -10.265 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.284 -11.748 -2.301 1.00 0.00 H new ATOM 475 N LEU A 33 9.030 -9.798 0.904 1.00 0.00 N ATOM 476 CA LEU A 33 7.595 -9.720 1.039 1.00 0.00 C ATOM 477 C LEU A 33 7.166 -8.262 0.906 1.00 0.00 C ATOM 478 O LEU A 33 6.179 -7.926 0.257 1.00 0.00 O ATOM 479 CB LEU A 33 7.151 -10.271 2.400 1.00 0.00 C ATOM 480 CG LEU A 33 5.686 -10.699 2.506 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.934 -10.516 1.198 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.595 -12.134 2.946 1.00 0.00 C ATOM 0 H LEU A 33 9.503 -10.472 1.506 1.00 0.00 H new ATOM 0 HA LEU A 33 7.127 -10.319 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.778 -11.129 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.342 -9.511 3.157 1.00 0.00 H new ATOM 0 HG LEU A 33 5.217 -10.053 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.899 -10.834 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.958 -9.465 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.405 -11.117 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.548 -12.427 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.101 -12.770 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.071 -12.247 3.920 1.00 0.00 H new ATOM 494 N ARG A 34 7.989 -7.398 1.474 1.00 0.00 N ATOM 495 CA ARG A 34 7.751 -5.961 1.430 1.00 0.00 C ATOM 496 C ARG A 34 7.682 -5.487 0.005 1.00 0.00 C ATOM 497 O ARG A 34 6.661 -4.956 -0.436 1.00 0.00 O ATOM 498 CB ARG A 34 8.833 -5.195 2.232 1.00 0.00 C ATOM 499 CG ARG A 34 9.679 -4.206 1.432 1.00 0.00 C ATOM 500 CD ARG A 34 10.966 -3.850 2.155 1.00 0.00 C ATOM 501 NE ARG A 34 10.755 -3.593 3.578 1.00 0.00 N ATOM 502 CZ ARG A 34 11.704 -3.146 4.398 1.00 0.00 C ATOM 503 NH1 ARG A 34 12.926 -2.903 3.940 1.00 0.00 N ATOM 504 NH2 ARG A 34 11.431 -2.938 5.679 1.00 0.00 N ATOM 0 H ARG A 34 8.835 -7.667 1.976 1.00 0.00 H new ATOM 0 HA ARG A 34 6.790 -5.753 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.343 -4.653 3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.499 -5.923 2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.916 -4.635 0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.102 -3.299 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.682 -4.664 2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.408 -2.968 1.691 1.00 0.00 H new ATOM 0 HE ARG A 34 9.827 -3.766 3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.142 -3.059 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.649 -2.561 4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.493 -3.120 6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.159 -2.596 6.306 1.00 0.00 H new ATOM 518 N ARG A 35 8.755 -5.715 -0.725 1.00 0.00 N ATOM 519 CA ARG A 35 8.799 -5.317 -2.105 1.00 0.00 C ATOM 520 C ARG A 35 7.600 -5.891 -2.829 1.00 0.00 C ATOM 521 O ARG A 35 7.038 -5.239 -3.704 1.00 0.00 O ATOM 522 CB ARG A 35 10.142 -5.690 -2.779 1.00 0.00 C ATOM 523 CG ARG A 35 10.286 -7.133 -3.257 1.00 0.00 C ATOM 524 CD ARG A 35 9.368 -7.439 -4.430 1.00 0.00 C ATOM 525 NE ARG A 35 10.070 -8.134 -5.507 1.00 0.00 N ATOM 526 CZ ARG A 35 10.188 -9.458 -5.588 1.00 0.00 C ATOM 527 NH1 ARG A 35 9.652 -10.240 -4.659 1.00 0.00 N ATOM 528 NH2 ARG A 35 10.845 -10.003 -6.603 1.00 0.00 N ATOM 0 H ARG A 35 9.600 -6.172 -0.382 1.00 0.00 H new ATOM 0 HA ARG A 35 8.745 -4.230 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.289 -5.031 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.947 -5.482 -2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.320 -7.317 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.061 -7.812 -2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.533 -8.051 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.946 -6.510 -4.813 1.00 0.00 H new ATOM 0 HE ARG A 35 10.496 -7.570 -6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.145 -9.828 -3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.747 -11.253 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.259 -9.408 -7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.936 -11.017 -6.666 1.00 0.00 H new ATOM 542 N LEU A 36 7.137 -7.077 -2.417 1.00 0.00 N ATOM 543 CA LEU A 36 5.946 -7.628 -3.078 1.00 0.00 C ATOM 544 C LEU A 36 4.809 -6.646 -2.962 1.00 0.00 C ATOM 545 O LEU A 36 4.144 -6.327 -3.950 1.00 0.00 O ATOM 546 CB LEU A 36 5.551 -9.002 -2.521 1.00 0.00 C ATOM 547 CG LEU A 36 6.413 -10.170 -3.004 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.852 -11.491 -2.498 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.505 -10.177 -4.522 1.00 0.00 C ATOM 0 H LEU A 36 7.540 -7.647 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 36 6.184 -7.783 -4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.597 -8.963 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.513 -9.201 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 36 7.418 -10.044 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.477 -12.311 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.840 -11.487 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.837 -11.622 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.122 -11.015 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.506 -10.277 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.953 -9.244 -4.864 1.00 0.00 H new ATOM 561 N TRP A 37 4.617 -6.114 -1.777 1.00 0.00 N ATOM 562 CA TRP A 37 3.580 -5.143 -1.583 1.00 0.00 C ATOM 563 C TRP A 37 3.811 -3.942 -2.486 1.00 0.00 C ATOM 564 O TRP A 37 2.858 -3.441 -3.097 1.00 0.00 O ATOM 565 CB TRP A 37 3.541 -4.712 -0.139 1.00 0.00 C ATOM 566 CG TRP A 37 2.871 -5.715 0.727 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.859 -7.066 0.554 1.00 0.00 C ATOM 568 CD2 TRP A 37 2.102 -5.441 1.885 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.155 -7.659 1.583 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.671 -6.670 2.410 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.752 -4.266 2.530 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.896 -6.741 3.568 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.989 -4.336 3.668 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.572 -5.553 4.179 1.00 0.00 C ATOM 0 H TRP A 37 5.162 -6.338 -0.944 1.00 0.00 H new ATOM 0 HA TRP A 37 2.621 -5.593 -1.841 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.558 -4.548 0.217 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.018 -3.759 -0.060 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.329 -7.593 -0.263 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.017 -8.662 1.709 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.075 -3.311 2.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.565 -7.688 3.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.708 -3.424 4.175 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.023 -5.570 5.080 1.00 0.00 H new ATOM 585 N LEU A 38 5.095 -3.516 -2.623 1.00 0.00 N ATOM 586 CA LEU A 38 5.426 -2.401 -3.500 1.00 0.00 C ATOM 587 C LEU A 38 4.521 -2.508 -4.738 1.00 0.00 C ATOM 588 O LEU A 38 3.855 -1.549 -5.134 1.00 0.00 O ATOM 589 CB LEU A 38 6.911 -2.473 -3.871 1.00 0.00 C ATOM 590 CG LEU A 38 7.855 -1.834 -2.840 1.00 0.00 C ATOM 591 CD1 LEU A 38 7.542 -2.296 -1.432 1.00 0.00 C ATOM 592 CD2 LEU A 38 9.305 -2.112 -3.199 1.00 0.00 C ATOM 0 H LEU A 38 5.892 -3.930 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 38 5.259 -1.439 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.190 -3.519 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.057 -1.981 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 38 7.696 -0.756 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.231 -1.822 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.519 -2.020 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.651 -3.379 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.958 -1.652 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.476 -3.188 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.523 -1.696 -4.183 1.00 0.00 H new ATOM 604 N LYS A 39 4.439 -3.729 -5.306 1.00 0.00 N ATOM 605 CA LYS A 39 3.602 -3.982 -6.459 1.00 0.00 C ATOM 606 C LYS A 39 2.154 -3.487 -6.275 1.00 0.00 C ATOM 607 O LYS A 39 1.664 -2.648 -7.044 1.00 0.00 O ATOM 608 CB LYS A 39 3.648 -5.498 -6.731 1.00 0.00 C ATOM 609 CG LYS A 39 4.616 -5.923 -7.828 1.00 0.00 C ATOM 610 CD LYS A 39 5.868 -5.057 -7.858 1.00 0.00 C ATOM 611 CE LYS A 39 5.822 -4.046 -8.993 1.00 0.00 C ATOM 612 NZ LYS A 39 7.149 -3.888 -9.650 1.00 0.00 N ATOM 0 H LYS A 39 4.950 -4.546 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 39 3.984 -3.420 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.920 -6.010 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.647 -5.835 -6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.900 -6.964 -7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.115 -5.867 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.972 -4.533 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.747 -5.691 -7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.086 -4.363 -9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.491 -3.082 -8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.432 -2.887 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.856 -4.460 -9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.087 -4.206 -10.638 1.00 0.00 H new ATOM 626 N ASN A 40 1.481 -4.015 -5.259 1.00 0.00 N ATOM 627 CA ASN A 40 0.075 -3.675 -4.975 1.00 0.00 C ATOM 628 C ASN A 40 -0.162 -2.179 -4.788 1.00 0.00 C ATOM 629 O ASN A 40 -1.287 -1.698 -4.927 1.00 0.00 O ATOM 630 CB ASN A 40 -0.459 -4.422 -3.734 1.00 0.00 C ATOM 631 CG ASN A 40 0.473 -5.484 -3.188 1.00 0.00 C ATOM 632 OD1 ASN A 40 0.883 -5.418 -2.032 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.790 -6.483 -4.004 1.00 0.00 N ATOM 0 H ASN A 40 1.884 -4.688 -4.607 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.472 -3.996 -5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.661 -3.695 -2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.411 -4.888 -3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.397 -7.235 -3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.427 -6.498 -4.957 1.00 0.00 H new ATOM 640 N VAL A 41 0.874 -1.468 -4.403 1.00 0.00 N ATOM 641 CA VAL A 41 0.764 -0.041 -4.111 1.00 0.00 C ATOM 642 C VAL A 41 0.703 0.868 -5.341 1.00 0.00 C ATOM 643 O VAL A 41 0.176 1.974 -5.241 1.00 0.00 O ATOM 644 CB VAL A 41 1.868 0.445 -3.140 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.061 1.022 -3.880 1.00 0.00 C ATOM 646 CG2 VAL A 41 1.296 1.475 -2.178 1.00 0.00 C ATOM 0 H VAL A 41 1.812 -1.850 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.206 0.049 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 41 2.221 -0.420 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.811 1.351 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.490 0.259 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.739 1.872 -4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.079 1.812 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.913 2.326 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.485 1.026 -1.604 1.00 0.00 H new ATOM 656 N SER A 42 1.229 0.434 -6.493 1.00 0.00 N ATOM 657 CA SER A 42 1.190 1.297 -7.700 1.00 0.00 C ATOM 658 C SER A 42 2.242 0.880 -8.768 1.00 0.00 C ATOM 659 O SER A 42 1.936 0.017 -9.589 1.00 0.00 O ATOM 660 CB SER A 42 1.319 2.811 -7.344 1.00 0.00 C ATOM 661 OG SER A 42 1.994 3.518 -8.371 1.00 0.00 O ATOM 0 H SER A 42 1.674 -0.475 -6.624 1.00 0.00 H new ATOM 0 HA SER A 42 0.206 1.146 -8.145 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.328 3.239 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.860 2.923 -6.404 1.00 0.00 H new ATOM 0 HG SER A 42 1.778 4.472 -8.308 1.00 0.00 H new ATOM 667 N ARG A 43 3.472 1.483 -8.799 1.00 0.00 N ATOM 668 CA ARG A 43 4.466 1.115 -9.813 1.00 0.00 C ATOM 669 C ARG A 43 4.103 1.681 -11.191 1.00 0.00 C ATOM 670 O ARG A 43 4.805 1.435 -12.172 1.00 0.00 O ATOM 671 CB ARG A 43 4.630 -0.408 -9.897 1.00 0.00 C ATOM 672 CG ARG A 43 5.662 -0.858 -10.925 1.00 0.00 C ATOM 673 CD ARG A 43 6.950 -0.053 -10.830 1.00 0.00 C ATOM 674 NE ARG A 43 7.357 0.177 -9.446 1.00 0.00 N ATOM 675 CZ ARG A 43 8.226 1.116 -9.076 1.00 0.00 C ATOM 676 NH1 ARG A 43 8.783 1.909 -9.982 1.00 0.00 N ATOM 677 NH2 ARG A 43 8.540 1.261 -7.796 1.00 0.00 N ATOM 0 H ARG A 43 3.776 2.204 -8.145 1.00 0.00 H new ATOM 0 HA ARG A 43 5.415 1.553 -9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.917 -0.788 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.667 -0.855 -10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.883 -1.915 -10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.244 -0.757 -11.927 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.745 -0.580 -11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.815 0.905 -11.331 1.00 0.00 H new ATOM 0 HE ARG A 43 6.952 -0.416 -8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.546 1.801 -10.968 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.448 2.626 -9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.116 0.653 -7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.206 1.980 -7.512 1.00 0.00 H new ATOM 784 N THR A 52 9.406 7.995 -8.529 1.00 0.00 N ATOM 785 CA THR A 52 8.027 7.621 -8.232 1.00 0.00 C ATOM 786 C THR A 52 7.852 7.208 -6.766 1.00 0.00 C ATOM 787 O THR A 52 7.423 6.089 -6.487 1.00 0.00 O ATOM 788 CB THR A 52 7.590 6.474 -9.146 1.00 0.00 C ATOM 789 OG1 THR A 52 6.251 6.101 -8.877 1.00 0.00 O ATOM 790 CG2 THR A 52 8.449 5.236 -9.003 1.00 0.00 C ATOM 0 HA THR A 52 7.402 8.496 -8.410 1.00 0.00 H new ATOM 0 HB THR A 52 7.697 6.856 -10.161 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.183 5.765 -7.959 1.00 0.00 H new ATOM 0 HG21 THR A 52 8.086 4.461 -9.678 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.482 5.479 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.399 4.875 -7.976 1.00 0.00 H new ATOM 798 N PHE A 53 8.173 8.113 -5.830 1.00 0.00 N ATOM 799 CA PHE A 53 8.034 7.826 -4.398 1.00 0.00 C ATOM 800 C PHE A 53 8.486 6.404 -4.064 1.00 0.00 C ATOM 801 O PHE A 53 7.952 5.781 -3.148 1.00 0.00 O ATOM 802 CB PHE A 53 6.575 8.006 -3.968 1.00 0.00 C ATOM 803 CG PHE A 53 5.617 7.204 -4.797 1.00 0.00 C ATOM 804 CD1 PHE A 53 5.482 5.831 -4.616 1.00 0.00 C ATOM 805 CD2 PHE A 53 4.854 7.827 -5.769 1.00 0.00 C ATOM 806 CE1 PHE A 53 4.604 5.107 -5.392 1.00 0.00 C ATOM 807 CE2 PHE A 53 3.975 7.105 -6.546 1.00 0.00 C ATOM 808 CZ PHE A 53 3.850 5.745 -6.359 1.00 0.00 C ATOM 0 H PHE A 53 8.529 9.046 -6.039 1.00 0.00 H new ATOM 0 HA PHE A 53 8.671 8.525 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.472 7.717 -2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.310 9.061 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.070 5.329 -3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.949 8.892 -5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.505 4.042 -5.245 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.385 7.604 -7.300 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.162 5.177 -6.969 1.00 0.00 H new ATOM 818 N GLN A 54 9.459 5.893 -4.822 1.00 0.00 N ATOM 819 CA GLN A 54 9.971 4.532 -4.623 1.00 0.00 C ATOM 820 C GLN A 54 9.884 4.102 -3.152 1.00 0.00 C ATOM 821 O GLN A 54 10.486 4.732 -2.284 1.00 0.00 O ATOM 822 CB GLN A 54 11.419 4.427 -5.103 1.00 0.00 C ATOM 823 CG GLN A 54 11.592 4.730 -6.582 1.00 0.00 C ATOM 824 CD GLN A 54 13.035 5.000 -6.958 1.00 0.00 C ATOM 825 OE1 GLN A 54 13.693 5.856 -6.370 1.00 0.00 O ATOM 826 NE2 GLN A 54 13.535 4.265 -7.946 1.00 0.00 N ATOM 0 H GLN A 54 9.910 6.402 -5.582 1.00 0.00 H new ATOM 0 HA GLN A 54 9.344 3.862 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.036 5.115 -4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.788 3.422 -4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.219 3.889 -7.167 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.984 5.596 -6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.953 3.565 -8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.501 4.400 -8.244 1.00 0.00 H new ATOM 835 N PRO A 55 9.127 3.026 -2.853 1.00 0.00 N ATOM 836 CA PRO A 55 8.958 2.519 -1.479 1.00 0.00 C ATOM 837 C PRO A 55 10.261 2.000 -0.871 1.00 0.00 C ATOM 838 O PRO A 55 10.359 0.832 -0.496 1.00 0.00 O ATOM 839 CB PRO A 55 7.953 1.369 -1.636 1.00 0.00 C ATOM 840 CG PRO A 55 7.302 1.609 -2.955 1.00 0.00 C ATOM 841 CD PRO A 55 8.364 2.218 -3.816 1.00 0.00 C ATOM 0 HA PRO A 55 8.627 3.308 -0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.453 0.401 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.221 1.370 -0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.932 0.679 -3.386 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.446 2.276 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.985 1.459 -4.292 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.940 2.829 -4.613 1.00 0.00 H new ATOM 849 N THR A 56 11.258 2.875 -0.766 1.00 0.00 N ATOM 850 CA THR A 56 12.543 2.504 -0.194 1.00 0.00 C ATOM 851 C THR A 56 12.585 2.858 1.303 1.00 0.00 C ATOM 852 O THR A 56 13.047 2.054 2.113 1.00 0.00 O ATOM 853 CB THR A 56 13.671 3.231 -0.928 1.00 0.00 C ATOM 854 OG1 THR A 56 13.297 3.519 -2.263 1.00 0.00 O ATOM 855 CG2 THR A 56 14.962 2.442 -0.973 1.00 0.00 C ATOM 0 H THR A 56 11.197 3.846 -1.071 1.00 0.00 H new ATOM 0 HA THR A 56 12.676 1.428 -0.306 1.00 0.00 H new ATOM 0 HB THR A 56 13.842 4.145 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.031 3.985 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.720 3.015 -1.508 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.304 2.246 0.043 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.792 1.496 -1.487 1.00 0.00 H new ATOM 863 N THR A 57 12.109 4.069 1.678 1.00 0.00 N ATOM 864 CA THR A 57 12.121 4.482 3.076 1.00 0.00 C ATOM 865 C THR A 57 11.144 3.662 3.918 1.00 0.00 C ATOM 866 O THR A 57 11.499 3.182 4.994 1.00 0.00 O ATOM 867 CB THR A 57 11.780 5.968 3.193 1.00 0.00 C ATOM 868 OG1 THR A 57 11.800 6.382 4.548 1.00 0.00 O ATOM 869 CG2 THR A 57 10.420 6.316 2.628 1.00 0.00 C ATOM 0 H THR A 57 11.721 4.758 1.034 1.00 0.00 H new ATOM 0 HA THR A 57 13.126 4.306 3.459 1.00 0.00 H new ATOM 0 HB THR A 57 12.542 6.486 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.581 7.336 4.602 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.241 7.385 2.743 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.388 6.054 1.570 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.650 5.760 3.163 1.00 0.00 H new ATOM 877 N GLY A 58 9.910 3.517 3.438 1.00 0.00 N ATOM 878 CA GLY A 58 8.920 2.766 4.190 1.00 0.00 C ATOM 879 C GLY A 58 7.478 3.065 3.762 1.00 0.00 C ATOM 880 O GLY A 58 6.771 3.773 4.479 1.00 0.00 O ATOM 0 H GLY A 58 9.582 3.902 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.114 1.700 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.031 2.992 5.250 1.00 0.00 H new ATOM 884 N HIS A 59 7.017 2.543 2.609 1.00 0.00 N ATOM 885 CA HIS A 59 5.648 2.805 2.171 1.00 0.00 C ATOM 886 C HIS A 59 4.666 1.882 2.904 1.00 0.00 C ATOM 887 O HIS A 59 5.038 0.815 3.388 1.00 0.00 O ATOM 888 CB HIS A 59 5.522 2.642 0.654 1.00 0.00 C ATOM 889 CG HIS A 59 5.677 3.916 -0.117 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.477 4.965 0.284 1.00 0.00 N ATOM 891 CD2 HIS A 59 5.110 4.303 -1.284 1.00 0.00 C ATOM 892 CE1 HIS A 59 6.393 5.942 -0.607 1.00 0.00 C ATOM 893 NE2 HIS A 59 5.573 5.563 -1.564 1.00 0.00 N ATOM 0 H HIS A 59 7.564 1.952 1.983 1.00 0.00 H new ATOM 0 HA HIS A 59 5.399 3.837 2.419 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.274 1.931 0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.548 2.209 0.426 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.421 3.726 -1.883 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.910 6.889 -0.556 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.322 6.117 -2.383 1.00 0.00 H new ATOM 902 N ARG A 60 3.429 2.350 3.030 1.00 0.00 N ATOM 903 CA ARG A 60 2.365 1.645 3.758 1.00 0.00 C ATOM 904 C ARG A 60 1.120 1.421 2.840 1.00 0.00 C ATOM 905 O ARG A 60 1.089 1.945 1.728 1.00 0.00 O ATOM 906 CB ARG A 60 2.039 2.463 5.026 1.00 0.00 C ATOM 907 CG ARG A 60 2.323 3.953 4.894 1.00 0.00 C ATOM 908 CD ARG A 60 3.802 4.257 5.086 1.00 0.00 C ATOM 909 NE ARG A 60 4.019 5.360 6.020 1.00 0.00 N ATOM 910 CZ ARG A 60 3.694 5.314 7.312 1.00 0.00 C ATOM 911 NH1 ARG A 60 3.149 4.220 7.827 1.00 0.00 N ATOM 912 NH2 ARG A 60 3.918 6.365 8.088 1.00 0.00 N ATOM 0 H ARG A 60 3.128 3.238 2.628 1.00 0.00 H new ATOM 0 HA ARG A 60 2.691 0.649 4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.987 2.325 5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.618 2.066 5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.004 4.300 3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.738 4.503 5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.310 3.366 5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.249 4.504 4.123 1.00 0.00 H new ATOM 0 HE ARG A 60 4.444 6.215 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.977 3.408 7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.902 4.190 8.816 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.339 7.208 7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.670 6.331 9.077 1.00 0.00 H new ATOM 926 N LEU A 61 0.112 0.621 3.277 1.00 0.00 N ATOM 927 CA LEU A 61 -1.083 0.333 2.434 1.00 0.00 C ATOM 928 C LEU A 61 -2.350 0.977 3.061 1.00 0.00 C ATOM 929 O LEU A 61 -2.323 1.323 4.225 1.00 0.00 O ATOM 930 CB LEU A 61 -1.331 -1.183 2.324 1.00 0.00 C ATOM 931 CG LEU A 61 -0.438 -1.960 1.351 1.00 0.00 C ATOM 932 CD1 LEU A 61 -1.132 -3.197 0.816 1.00 0.00 C ATOM 933 CD2 LEU A 61 0.046 -1.090 0.213 1.00 0.00 C ATOM 0 H LEU A 61 0.100 0.170 4.192 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.890 0.748 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.213 -1.619 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.369 -1.337 2.029 1.00 0.00 H new ATOM 0 HG LEU A 61 0.434 -2.282 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.466 -3.720 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.390 -3.857 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.040 -2.905 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.676 -1.680 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.810 -0.707 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.622 -0.255 0.613 1.00 0.00 H new ATOM 945 N CYS A 62 -3.439 1.234 2.292 1.00 0.00 N ATOM 946 CA CYS A 62 -4.595 1.934 2.865 1.00 0.00 C ATOM 947 C CYS A 62 -5.923 1.069 2.957 1.00 0.00 C ATOM 948 O CYS A 62 -5.937 -0.113 2.614 1.00 0.00 O ATOM 949 CB CYS A 62 -4.658 3.327 2.153 1.00 0.00 C ATOM 950 SG CYS A 62 -5.463 3.446 0.530 1.00 0.00 S ATOM 0 H CYS A 62 -3.532 0.974 1.310 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.474 2.113 3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.167 4.018 2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.635 3.687 2.041 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.154 2.367 0.308 1.00 0.00 H new ATOM 955 N SER A 63 -6.976 1.664 3.559 1.00 0.00 N ATOM 956 CA SER A 63 -8.285 1.097 3.894 1.00 0.00 C ATOM 957 C SER A 63 -8.880 -0.063 3.090 1.00 0.00 C ATOM 958 O SER A 63 -8.904 -1.207 3.541 1.00 0.00 O ATOM 959 CB SER A 63 -9.296 2.277 3.904 1.00 0.00 C ATOM 960 OG SER A 63 -9.784 2.518 5.212 1.00 0.00 O ATOM 0 H SER A 63 -6.918 2.641 3.845 1.00 0.00 H new ATOM 0 HA SER A 63 -8.099 0.601 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.814 3.176 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.129 2.053 3.237 1.00 0.00 H new ATOM 0 HG SER A 63 -10.417 3.266 5.192 1.00 0.00 H new ATOM 966 N VAL A 64 -9.530 0.303 2.018 1.00 0.00 N ATOM 967 CA VAL A 64 -10.364 -0.634 1.235 1.00 0.00 C ATOM 968 C VAL A 64 -9.669 -1.713 0.403 1.00 0.00 C ATOM 969 O VAL A 64 -10.154 -2.052 -0.678 1.00 0.00 O ATOM 970 CB VAL A 64 -11.326 0.138 0.326 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.358 0.893 1.151 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.547 1.078 -0.557 1.00 0.00 C ATOM 0 H VAL A 64 -9.511 1.252 1.645 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.870 -1.194 2.022 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.862 -0.570 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.031 1.434 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.932 0.187 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.852 1.600 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.235 1.625 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.992 1.783 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.850 0.507 -1.171 1.00 0.00 H new ATOM 982 N HIS A 65 -8.594 -2.297 0.894 1.00 0.00 N ATOM 983 CA HIS A 65 -7.949 -3.383 0.139 1.00 0.00 C ATOM 984 C HIS A 65 -7.464 -4.505 1.046 1.00 0.00 C ATOM 985 O HIS A 65 -6.347 -4.998 0.901 1.00 0.00 O ATOM 986 CB HIS A 65 -6.810 -2.874 -0.732 1.00 0.00 C ATOM 987 CG HIS A 65 -6.257 -1.598 -0.289 1.00 0.00 C ATOM 988 ND1 HIS A 65 -5.004 -1.234 0.067 1.00 0.00 N flip ATOM 989 CD2 HIS A 65 -7.043 -0.493 -0.161 1.00 0.00 C flip ATOM 990 CE1 HIS A 65 -5.074 0.075 0.405 1.00 0.00 C flip ATOM 991 NE2 HIS A 65 -6.318 0.498 0.253 1.00 0.00 N flip ATOM 0 H HIS A 65 -8.151 -2.058 1.781 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.717 -3.793 -0.517 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.015 -3.619 -0.746 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.167 -2.769 -1.757 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.174 -1.826 0.078 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.101 -0.450 -0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.245 0.678 0.745 1.00 0.00 H new ATOM 999 N PHE A 66 -8.315 -4.918 1.975 1.00 0.00 N ATOM 1000 CA PHE A 66 -7.971 -5.992 2.889 1.00 0.00 C ATOM 1001 C PHE A 66 -9.114 -7.036 2.966 1.00 0.00 C ATOM 1002 O PHE A 66 -9.942 -6.949 3.874 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.693 -5.409 4.272 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.235 -5.126 4.470 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.302 -6.131 4.281 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.793 -3.859 4.815 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -3.954 -5.883 4.435 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -4.442 -3.603 4.966 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.523 -4.618 4.777 1.00 0.00 C ATOM 0 H PHE A 66 -9.246 -4.525 2.113 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.078 -6.497 2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.263 -4.489 4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.036 -6.106 5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.634 -7.122 4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.509 -3.065 4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.237 -6.678 4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.106 -2.612 5.231 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.468 -4.421 4.897 1.00 0.00 H new ATOM 1019 N GLN A 67 -9.197 -8.021 2.029 1.00 0.00 N ATOM 1020 CA GLN A 67 -10.277 -8.998 2.081 1.00 0.00 C ATOM 1021 C GLN A 67 -10.173 -9.805 3.406 1.00 0.00 C ATOM 1022 O GLN A 67 -9.060 -9.968 3.907 1.00 0.00 O ATOM 1023 CB GLN A 67 -10.184 -9.962 0.895 1.00 0.00 C ATOM 1024 CG GLN A 67 -8.828 -10.636 0.762 1.00 0.00 C ATOM 1025 CD GLN A 67 -8.041 -10.136 -0.434 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -7.200 -9.245 -0.310 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -8.310 -10.709 -1.601 1.00 0.00 N ATOM 0 H GLN A 67 -8.541 -8.143 1.257 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.231 -8.473 2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.952 -10.728 0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.401 -9.416 -0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.250 -10.463 1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.969 -11.713 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.015 -11.444 -1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.812 -10.414 -2.441 1.00 0.00 H new ATOM 1036 N GLY A 68 -11.285 -10.306 4.004 1.00 0.00 N ATOM 1037 CA GLY A 68 -11.151 -11.044 5.251 1.00 0.00 C ATOM 1038 C GLY A 68 -10.932 -10.127 6.456 1.00 0.00 C ATOM 1039 O GLY A 68 -11.841 -9.961 7.269 1.00 0.00 O ATOM 0 H GLY A 68 -12.237 -10.210 3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.047 -11.643 5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.314 -11.738 5.170 1.00 0.00 H new ATOM 1043 N GLY A 69 -9.740 -9.516 6.584 1.00 0.00 N ATOM 1044 CA GLY A 69 -9.492 -8.630 7.706 1.00 0.00 C ATOM 1045 C GLY A 69 -8.654 -9.278 8.790 1.00 0.00 C ATOM 1046 O GLY A 69 -8.850 -10.449 9.115 1.00 0.00 O ATOM 0 H GLY A 69 -8.960 -9.623 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.987 -7.732 7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.445 -8.312 8.130 1.00 0.00 H new ATOM 1050 N ARG A 70 -7.712 -8.511 9.345 1.00 0.00 N ATOM 1051 CA ARG A 70 -6.825 -9.000 10.403 1.00 0.00 C ATOM 1052 C ARG A 70 -5.637 -9.765 9.824 1.00 0.00 C ATOM 1053 O ARG A 70 -4.707 -10.118 10.549 1.00 0.00 O ATOM 1054 CB ARG A 70 -7.582 -9.891 11.394 1.00 0.00 C ATOM 1055 CG ARG A 70 -8.954 -9.357 11.769 1.00 0.00 C ATOM 1056 CD ARG A 70 -9.366 -9.813 13.159 1.00 0.00 C ATOM 1057 NE ARG A 70 -9.895 -11.175 13.157 1.00 0.00 N ATOM 1058 CZ ARG A 70 -10.043 -11.916 14.253 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -9.696 -11.433 15.440 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -10.536 -13.142 14.162 1.00 0.00 N ATOM 0 H ARG A 70 -7.544 -7.542 9.076 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.449 -8.126 10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.694 -10.886 10.963 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.985 -10.002 12.299 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.945 -8.268 11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.690 -9.697 11.040 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.506 -9.760 13.827 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.120 -9.132 13.555 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.167 -11.582 12.262 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.314 -10.490 15.515 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.811 -12.005 16.277 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.802 -13.518 13.252 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.649 -13.710 15.002 1.00 0.00 H new ATOM 1074 N LYS A 71 -5.665 -10.018 8.517 1.00 0.00 N ATOM 1075 CA LYS A 71 -4.583 -10.738 7.859 1.00 0.00 C ATOM 1076 C LYS A 71 -4.302 -12.060 8.564 1.00 0.00 C ATOM 1077 O LYS A 71 -3.394 -12.157 9.390 1.00 0.00 O ATOM 1078 CB LYS A 71 -3.325 -9.868 7.824 1.00 0.00 C ATOM 1079 CG LYS A 71 -2.679 -9.798 6.444 1.00 0.00 C ATOM 1080 CD LYS A 71 -1.751 -8.595 6.281 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.199 -7.389 7.095 1.00 0.00 C ATOM 1082 NZ LYS A 71 -1.707 -6.112 6.516 1.00 0.00 N ATOM 0 H LYS A 71 -6.424 -9.735 7.897 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.886 -10.963 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.580 -8.860 8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.600 -10.260 8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.114 -10.713 6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.460 -9.753 5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.742 -8.877 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.703 -8.319 5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.288 -7.369 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.836 -7.487 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.962 -5.324 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.673 -6.153 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.141 -5.964 5.583 1.00 0.00 H new ATOM 1096 N THR A 72 -5.095 -13.073 8.235 1.00 0.00 N ATOM 1097 CA THR A 72 -4.942 -14.391 8.838 1.00 0.00 C ATOM 1098 C THR A 72 -3.865 -15.202 8.125 1.00 0.00 C ATOM 1099 O THR A 72 -2.771 -15.395 8.654 1.00 0.00 O ATOM 1100 CB THR A 72 -6.274 -15.143 8.807 1.00 0.00 C ATOM 1101 OG1 THR A 72 -6.694 -15.367 7.473 1.00 0.00 O ATOM 1102 CG2 THR A 72 -7.390 -14.410 9.523 1.00 0.00 C ATOM 0 H THR A 72 -5.851 -13.006 7.553 1.00 0.00 H new ATOM 0 HA THR A 72 -4.632 -14.254 9.874 1.00 0.00 H new ATOM 0 HB THR A 72 -6.087 -16.084 9.324 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.546 -15.850 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.307 -14.996 9.464 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.118 -14.265 10.569 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.549 -13.440 9.052 1.00 0.00 H new ATOM 1110 N TYR A 73 -4.180 -15.677 6.924 1.00 0.00 N ATOM 1111 CA TYR A 73 -3.232 -16.470 6.147 1.00 0.00 C ATOM 1112 C TYR A 73 -3.578 -16.452 4.660 1.00 0.00 C ATOM 1113 O TYR A 73 -2.693 -16.378 3.809 1.00 0.00 O ATOM 1114 CB TYR A 73 -3.199 -17.910 6.663 1.00 0.00 C ATOM 1115 CG TYR A 73 -1.908 -18.636 6.358 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -0.796 -18.490 7.179 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -1.802 -19.469 5.251 1.00 0.00 C ATOM 1118 CE1 TYR A 73 0.385 -19.153 6.904 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -0.624 -20.136 4.972 1.00 0.00 C ATOM 1120 CZ TYR A 73 0.465 -19.975 5.800 1.00 0.00 C ATOM 1121 OH TYR A 73 1.639 -20.638 5.525 1.00 0.00 O ATOM 0 H TYR A 73 -5.080 -15.528 6.469 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.245 -16.024 6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.356 -17.904 7.742 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.029 -18.463 6.224 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.856 -17.848 8.046 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.653 -19.597 4.599 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.241 -19.028 7.551 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.558 -20.781 4.108 1.00 0.00 H new ATOM 0 HH TYR A 73 1.528 -21.176 4.714 1.00 0.00 H new ATOM 1131 N THR A 74 -4.869 -16.521 4.352 1.00 0.00 N ATOM 1132 CA THR A 74 -5.326 -16.512 2.966 1.00 0.00 C ATOM 1133 C THR A 74 -4.908 -15.223 2.265 1.00 0.00 C ATOM 1134 O THR A 74 -4.343 -15.251 1.172 1.00 0.00 O ATOM 1135 CB THR A 74 -6.850 -16.671 2.907 1.00 0.00 C ATOM 1136 OG1 THR A 74 -7.417 -16.579 4.202 1.00 0.00 O ATOM 1137 CG2 THR A 74 -7.291 -17.988 2.306 1.00 0.00 C ATOM 0 H THR A 74 -5.617 -16.584 5.042 1.00 0.00 H new ATOM 0 HA THR A 74 -4.861 -17.352 2.450 1.00 0.00 H new ATOM 0 HB THR A 74 -7.199 -15.861 2.266 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.390 -16.681 4.141 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.380 -18.036 2.294 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.913 -18.068 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.898 -18.810 2.904 1.00 0.00 H new ATOM 1145 N VAL A 75 -5.193 -14.095 2.907 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.854 -12.789 2.356 1.00 0.00 C ATOM 1147 C VAL A 75 -3.370 -12.473 2.627 1.00 0.00 C ATOM 1148 O VAL A 75 -3.024 -11.971 3.695 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.783 -11.717 3.016 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.383 -11.460 4.460 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -5.848 -10.400 2.238 1.00 0.00 C ATOM 0 H VAL A 75 -5.660 -14.060 3.813 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.005 -12.782 1.277 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.787 -12.141 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.046 -10.711 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.461 -12.386 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.355 -11.098 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.510 -9.705 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.850 -9.968 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.231 -10.588 1.235 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.482 -12.777 1.664 1.00 0.00 N ATOM 1162 CA ARG A 76 -1.058 -12.517 1.858 1.00 0.00 C ATOM 1163 C ARG A 76 -0.669 -11.123 1.367 1.00 0.00 C ATOM 1164 O ARG A 76 0.038 -10.397 2.067 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.214 -13.593 1.163 1.00 0.00 C ATOM 1166 CG ARG A 76 1.060 -13.954 1.915 1.00 0.00 C ATOM 1167 CD ARG A 76 0.789 -14.229 3.387 1.00 0.00 C ATOM 1168 NE ARG A 76 1.847 -15.029 4.001 1.00 0.00 N ATOM 1169 CZ ARG A 76 1.900 -16.357 3.944 1.00 0.00 C ATOM 1170 NH1 ARG A 76 0.965 -17.040 3.295 1.00 0.00 N ATOM 1171 NH2 ARG A 76 2.893 -17.006 4.538 1.00 0.00 N ATOM 0 H ARG A 76 -2.724 -13.194 0.765 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.857 -12.556 2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.818 -14.491 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.051 -13.246 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.515 -14.833 1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.779 -13.140 1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.694 -13.283 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.163 -14.749 3.489 1.00 0.00 H new ATOM 0 HE ARG A 76 2.588 -14.540 4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.199 -16.547 2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.012 -18.058 3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.615 -16.487 5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.935 -18.024 4.495 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.138 -10.735 0.181 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.827 -9.409 -0.343 1.00 0.00 C ATOM 1187 C VAL A 77 -2.122 -8.677 -0.715 1.00 0.00 C ATOM 1188 O VAL A 77 -2.936 -9.199 -1.477 1.00 0.00 O ATOM 1189 CB VAL A 77 0.120 -9.507 -1.582 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.075 -10.681 -1.438 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.668 -9.632 -2.876 1.00 0.00 C ATOM 0 H VAL A 77 -1.724 -11.310 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.310 -8.843 0.432 1.00 0.00 H new ATOM 0 HB VAL A 77 0.698 -8.584 -1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.725 -10.731 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.681 -10.549 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.505 -11.606 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.022 -9.698 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.285 -10.530 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.307 -8.758 -2.999 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.349 -7.466 -0.161 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.568 -6.671 -0.417 1.00 0.00 C ATOM 1203 C PRO A 78 -3.838 -6.290 -1.838 1.00 0.00 C ATOM 1204 O PRO A 78 -4.232 -5.142 -2.065 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.294 -5.387 0.366 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.458 -5.854 1.489 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.479 -6.768 0.821 1.00 0.00 C ATOM 0 HA PRO A 78 -4.441 -7.261 -0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.775 -4.646 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.216 -4.923 0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.959 -5.026 1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.048 -6.376 2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.671 -6.220 0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.017 -7.460 1.525 1.00 0.00 H new ATOM 1215 N THR A 79 -3.731 -7.183 -2.819 1.00 0.00 N ATOM 1216 CA THR A 79 -4.109 -6.681 -4.104 1.00 0.00 C ATOM 1217 C THR A 79 -5.478 -7.204 -4.495 1.00 0.00 C ATOM 1218 O THR A 79 -5.657 -8.349 -4.910 1.00 0.00 O ATOM 1219 CB THR A 79 -3.077 -7.082 -5.159 1.00 0.00 C ATOM 1220 OG1 THR A 79 -1.777 -7.128 -4.597 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.035 -6.137 -6.342 1.00 0.00 C ATOM 0 H THR A 79 -3.419 -8.152 -2.754 1.00 0.00 H new ATOM 0 HA THR A 79 -4.150 -5.593 -4.048 1.00 0.00 H new ATOM 0 HB THR A 79 -3.388 -8.065 -5.511 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.195 -7.677 -5.163 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.283 -6.478 -7.053 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.011 -6.118 -6.827 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.781 -5.134 -5.998 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.401 -6.263 -4.455 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.781 -6.434 -4.894 1.00 0.00 C ATOM 1231 C ILE A 80 -8.122 -5.316 -5.882 1.00 0.00 C ATOM 1232 O ILE A 80 -8.512 -4.247 -5.431 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.763 -6.378 -3.690 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -8.770 -7.714 -2.925 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -10.173 -6.004 -4.144 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -9.795 -8.712 -3.426 1.00 0.00 C ATOM 0 H ILE A 80 -6.209 -5.325 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.883 -7.410 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.414 -5.600 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.779 -8.163 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.959 -7.515 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.837 -5.973 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.153 -5.025 -4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.536 -6.747 -4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.734 -9.625 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.794 -8.286 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.596 -8.944 -4.472 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.052 -5.529 -7.188 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.414 -4.462 -8.133 1.00 0.00 C ATOM 1250 C PHE A 81 -8.429 -5.000 -9.561 1.00 0.00 C ATOM 1251 O PHE A 81 -9.520 -5.025 -10.171 1.00 0.00 O ATOM 1252 CB PHE A 81 -7.468 -3.218 -8.064 1.00 0.00 C ATOM 1253 CG PHE A 81 -6.665 -3.027 -6.788 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -7.236 -2.473 -5.640 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -5.330 -3.397 -6.742 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -6.494 -2.314 -4.480 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -4.585 -3.241 -5.582 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.171 -2.703 -4.443 1.00 0.00 C ATOM 1259 OXT PHE A 81 -7.352 -5.390 -10.057 1.00 0.00 O ATOM 0 H PHE A 81 -7.756 -6.405 -7.618 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.409 -4.127 -7.838 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.768 -3.279 -8.898 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.073 -2.325 -8.220 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.271 -2.164 -5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.863 -3.813 -7.622 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.953 -1.884 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.547 -3.539 -5.564 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.596 -2.590 -3.536 1.00 0.00 H new