USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 563 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 9 TYR OH : rot 64:sc= 0.43 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.423 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0033 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 6 SER OG : rot -113:sc= 0.184 USER MOD Single : A 10 TYR OH : rot 158:sc= 1.14 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00993 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-4!) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -1.2 (180deg=-1.27) USER MOD Single : A 40 ASN : amide:sc= -0.183 K(o=-0.18,f=-3.9!) USER MOD Single : A 41 HIS : no HD1:sc= -0.561 X(o=-0.56,f=-0.92) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0757 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 79:sc= 0.147 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc=-0.00187 (180deg=-0.0841) USER MOD Single : A 67 GLN : amide:sc= -6.19! C(o=-6.2!,f=-8.4!) USER MOD Single : A 68 TYR OH : rot -110:sc= -1.13 USER MOD Single : A 70 GLN : amide:sc= -0.832 K(o=-0.83,f=-1.7!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.807 -8.663 21.181 1.00 0.00 N ATOM 2 CA GLY A 1 6.777 -9.710 20.176 1.00 0.00 C ATOM 3 C GLY A 1 6.009 -9.301 18.935 1.00 0.00 C ATOM 4 O GLY A 1 6.115 -8.163 18.478 1.00 0.00 O ATOM 0 H1 GLY A 1 7.707 -8.705 21.700 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.717 -7.736 20.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.018 -8.797 21.845 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.798 -9.972 19.898 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.323 -10.605 20.602 1.00 0.00 H new ATOM 8 N SER A 2 5.235 -10.232 18.387 1.00 0.00 N ATOM 9 CA SER A 2 4.451 -9.964 17.187 1.00 0.00 C ATOM 10 C SER A 2 3.018 -10.461 17.353 1.00 0.00 C ATOM 11 O SER A 2 2.749 -11.361 18.149 1.00 0.00 O ATOM 12 CB SER A 2 5.096 -10.631 15.971 1.00 0.00 C ATOM 13 OG SER A 2 6.322 -10.005 15.637 1.00 0.00 O ATOM 0 H SER A 2 5.134 -11.178 18.755 1.00 0.00 H new ATOM 0 HA SER A 2 4.428 -8.885 17.031 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.268 -11.687 16.180 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.415 -10.581 15.121 1.00 0.00 H new ATOM 0 HG SER A 2 6.715 -10.451 14.858 1.00 0.00 H new ATOM 19 N SER A 3 2.101 -9.867 16.596 1.00 0.00 N ATOM 20 CA SER A 3 0.694 -10.245 16.661 1.00 0.00 C ATOM 21 C SER A 3 0.384 -11.357 15.663 1.00 0.00 C ATOM 22 O SER A 3 0.030 -12.471 16.048 1.00 0.00 O ATOM 23 CB SER A 3 -0.196 -9.032 16.384 1.00 0.00 C ATOM 24 OG SER A 3 -0.399 -8.269 17.560 1.00 0.00 O ATOM 0 H SER A 3 2.307 -9.122 15.931 1.00 0.00 H new ATOM 0 HA SER A 3 0.489 -10.614 17.666 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.263 -8.408 15.617 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.157 -9.364 15.992 1.00 0.00 H new ATOM 0 HG SER A 3 -0.969 -7.499 17.356 1.00 0.00 H new ATOM 30 N GLY A 4 0.519 -11.044 14.378 1.00 0.00 N ATOM 31 CA GLY A 4 0.249 -12.026 13.343 1.00 0.00 C ATOM 32 C GLY A 4 -0.821 -11.567 12.373 1.00 0.00 C ATOM 33 O GLY A 4 -2.004 -11.540 12.712 1.00 0.00 O ATOM 0 H GLY A 4 0.810 -10.129 14.035 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.168 -12.233 12.794 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.063 -12.962 13.807 1.00 0.00 H new ATOM 37 N SER A 5 -0.406 -11.204 11.164 1.00 0.00 N ATOM 38 CA SER A 5 -1.337 -10.738 10.144 1.00 0.00 C ATOM 39 C SER A 5 -0.870 -11.154 8.752 1.00 0.00 C ATOM 40 O SER A 5 0.310 -11.039 8.421 1.00 0.00 O ATOM 41 CB SER A 5 -1.483 -9.217 10.212 1.00 0.00 C ATOM 42 OG SER A 5 -1.775 -8.791 11.532 1.00 0.00 O ATOM 0 H SER A 5 0.570 -11.224 10.867 1.00 0.00 H new ATOM 0 HA SER A 5 -2.307 -11.197 10.336 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.562 -8.745 9.869 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.277 -8.894 9.538 1.00 0.00 H new ATOM 0 HG SER A 5 -1.862 -7.815 11.549 1.00 0.00 H new ATOM 48 N SER A 6 -1.806 -11.638 7.941 1.00 0.00 N ATOM 49 CA SER A 6 -1.491 -12.074 6.585 1.00 0.00 C ATOM 50 C SER A 6 -0.980 -10.909 5.744 1.00 0.00 C ATOM 51 O SER A 6 -0.471 -11.101 4.641 1.00 0.00 O ATOM 52 CB SER A 6 -2.725 -12.692 5.926 1.00 0.00 C ATOM 53 OG SER A 6 -3.746 -11.725 5.749 1.00 0.00 O ATOM 0 H SER A 6 -2.788 -11.738 8.199 1.00 0.00 H new ATOM 0 HA SER A 6 -0.705 -12.827 6.645 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.451 -13.117 4.961 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.098 -13.511 6.541 1.00 0.00 H new ATOM 0 HG SER A 6 -4.511 -11.949 6.319 1.00 0.00 H new ATOM 59 N GLY A 7 -1.121 -9.697 6.274 1.00 0.00 N ATOM 60 CA GLY A 7 -0.670 -8.518 5.560 1.00 0.00 C ATOM 61 C GLY A 7 -1.810 -7.772 4.895 1.00 0.00 C ATOM 62 O GLY A 7 -2.357 -8.228 3.891 1.00 0.00 O ATOM 0 H GLY A 7 -1.540 -9.512 7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.159 -7.850 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.058 -8.811 4.804 1.00 0.00 H new ATOM 66 N ASP A 8 -2.170 -6.623 5.456 1.00 0.00 N ATOM 67 CA ASP A 8 -3.253 -5.812 4.912 1.00 0.00 C ATOM 68 C ASP A 8 -2.704 -4.580 4.198 1.00 0.00 C ATOM 69 O ASP A 8 -1.782 -3.927 4.687 1.00 0.00 O ATOM 70 CB ASP A 8 -4.210 -5.387 6.026 1.00 0.00 C ATOM 71 CG ASP A 8 -4.631 -6.550 6.903 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.855 -6.923 7.808 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.738 -7.086 6.685 1.00 0.00 O ATOM 0 H ASP A 8 -1.727 -6.232 6.288 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.798 -6.417 4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.731 -4.626 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.095 -4.929 5.585 1.00 0.00 H new ATOM 78 N TYR A 9 -3.276 -4.270 3.040 1.00 0.00 N ATOM 79 CA TYR A 9 -2.841 -3.119 2.258 1.00 0.00 C ATOM 80 C TYR A 9 -2.775 -1.865 3.124 1.00 0.00 C ATOM 81 O TYR A 9 -1.722 -1.238 3.248 1.00 0.00 O ATOM 82 CB TYR A 9 -3.790 -2.890 1.080 1.00 0.00 C ATOM 83 CG TYR A 9 -3.918 -4.085 0.163 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.804 -4.841 -0.183 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.150 -4.457 -0.359 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.916 -5.933 -1.022 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.271 -5.549 -1.197 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.151 -6.283 -1.525 1.00 0.00 C ATOM 89 OH TYR A 9 -4.267 -7.371 -2.361 1.00 0.00 O ATOM 0 H TYR A 9 -4.041 -4.799 2.622 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.841 -3.327 1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.776 -2.631 1.464 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.438 -2.035 0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.835 -4.570 0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.029 -3.883 -0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.041 -6.509 -1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.237 -5.826 -1.593 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.023 -8.185 -1.874 1.00 0.00 H new ATOM 99 N TYR A 10 -3.906 -1.506 3.721 1.00 0.00 N ATOM 100 CA TYR A 10 -3.978 -0.326 4.575 1.00 0.00 C ATOM 101 C TYR A 10 -2.762 -0.243 5.492 1.00 0.00 C ATOM 102 O TYR A 10 -2.143 0.813 5.625 1.00 0.00 O ATOM 103 CB TYR A 10 -5.259 -0.352 5.409 1.00 0.00 C ATOM 104 CG TYR A 10 -6.506 -0.034 4.615 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.617 1.156 3.907 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.572 -0.924 4.571 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.755 1.452 3.181 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.712 -0.638 3.846 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.799 0.552 3.153 1.00 0.00 C ATOM 110 OH TYR A 10 -9.933 0.841 2.429 1.00 0.00 O ATOM 0 H TYR A 10 -4.785 -2.015 3.629 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.988 0.556 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.368 -1.338 5.861 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.166 0.364 6.225 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.800 1.862 3.924 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.508 -1.856 5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.826 2.383 2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.531 -1.342 3.822 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.407 0.010 2.218 1.00 0.00 H new ATOM 120 N GLU A 11 -2.426 -1.364 6.122 1.00 0.00 N ATOM 121 CA GLU A 11 -1.284 -1.417 7.028 1.00 0.00 C ATOM 122 C GLU A 11 0.021 -1.177 6.273 1.00 0.00 C ATOM 123 O GLU A 11 0.811 -0.308 6.641 1.00 0.00 O ATOM 124 CB GLU A 11 -1.232 -2.771 7.739 1.00 0.00 C ATOM 125 CG GLU A 11 -2.281 -2.927 8.827 1.00 0.00 C ATOM 126 CD GLU A 11 -2.255 -1.790 9.830 1.00 0.00 C ATOM 127 OE1 GLU A 11 -1.171 -1.510 10.382 1.00 0.00 O ATOM 128 OE2 GLU A 11 -3.320 -1.181 10.063 1.00 0.00 O ATOM 0 H GLU A 11 -2.927 -2.247 6.022 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.405 -0.628 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.363 -3.564 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.243 -2.904 8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.269 -2.980 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.120 -3.870 9.349 1.00 0.00 H new ATOM 135 N ILE A 12 0.238 -1.954 5.217 1.00 0.00 N ATOM 136 CA ILE A 12 1.446 -1.825 4.411 1.00 0.00 C ATOM 137 C ILE A 12 1.768 -0.361 4.134 1.00 0.00 C ATOM 138 O ILE A 12 2.933 0.014 3.992 1.00 0.00 O ATOM 139 CB ILE A 12 1.310 -2.572 3.071 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.134 -4.073 3.314 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.525 -2.311 2.193 1.00 0.00 C ATOM 142 CD1 ILE A 12 0.859 -4.861 2.053 1.00 0.00 C ATOM 0 H ILE A 12 -0.406 -2.679 4.900 1.00 0.00 H new ATOM 0 HA ILE A 12 2.258 -2.270 4.985 1.00 0.00 H new ATOM 0 HB ILE A 12 0.426 -2.201 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.034 -4.464 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.313 -4.226 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.414 -2.846 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.609 -1.242 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.424 -2.658 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.745 -5.916 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.057 -4.497 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.691 -4.739 1.359 1.00 0.00 H new ATOM 154 N LEU A 13 0.729 0.464 4.058 1.00 0.00 N ATOM 155 CA LEU A 13 0.901 1.889 3.800 1.00 0.00 C ATOM 156 C LEU A 13 1.043 2.666 5.105 1.00 0.00 C ATOM 157 O LEU A 13 1.802 3.631 5.185 1.00 0.00 O ATOM 158 CB LEU A 13 -0.284 2.429 2.997 1.00 0.00 C ATOM 159 CG LEU A 13 -0.567 1.731 1.667 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.883 2.216 1.079 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.575 1.966 0.688 1.00 0.00 C ATOM 0 H LEU A 13 -0.241 0.170 4.171 1.00 0.00 H new ATOM 0 HA LEU A 13 1.815 2.020 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.178 2.362 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.111 3.487 2.800 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.648 0.660 1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.068 1.708 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.694 1.997 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.831 3.292 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.357 1.462 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.687 3.035 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.500 1.569 1.106 1.00 0.00 H new ATOM 173 N GLY A 14 0.307 2.237 6.126 1.00 0.00 N ATOM 174 CA GLY A 14 0.366 2.903 7.414 1.00 0.00 C ATOM 175 C GLY A 14 -0.816 3.822 7.647 1.00 0.00 C ATOM 176 O GLY A 14 -0.658 4.933 8.152 1.00 0.00 O ATOM 0 H GLY A 14 -0.329 1.440 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.401 2.154 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.289 3.480 7.479 1.00 0.00 H new ATOM 180 N VAL A 15 -2.006 3.358 7.276 1.00 0.00 N ATOM 181 CA VAL A 15 -3.221 4.147 7.447 1.00 0.00 C ATOM 182 C VAL A 15 -4.360 3.290 7.987 1.00 0.00 C ATOM 183 O VAL A 15 -4.215 2.080 8.156 1.00 0.00 O ATOM 184 CB VAL A 15 -3.662 4.792 6.120 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.543 5.645 5.543 1.00 0.00 C ATOM 186 CG2 VAL A 15 -4.096 3.724 5.128 1.00 0.00 C ATOM 0 H VAL A 15 -2.154 2.441 6.856 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.990 4.934 8.165 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.515 5.441 6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.873 6.093 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.285 6.433 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.668 5.021 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.404 4.197 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.263 3.048 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.932 3.160 5.543 1.00 0.00 H new ATOM 196 N SER A 16 -5.495 3.927 8.257 1.00 0.00 N ATOM 197 CA SER A 16 -6.660 3.224 8.781 1.00 0.00 C ATOM 198 C SER A 16 -7.466 2.589 7.652 1.00 0.00 C ATOM 199 O SER A 16 -7.252 2.890 6.477 1.00 0.00 O ATOM 200 CB SER A 16 -7.546 4.184 9.578 1.00 0.00 C ATOM 201 OG SER A 16 -7.041 4.376 10.888 1.00 0.00 O ATOM 0 H SER A 16 -5.632 4.929 8.122 1.00 0.00 H new ATOM 0 HA SER A 16 -6.308 2.432 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.604 5.143 9.063 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.561 3.789 9.630 1.00 0.00 H new ATOM 0 HG SER A 16 -7.624 4.995 11.376 1.00 0.00 H new ATOM 207 N ARG A 17 -8.393 1.710 8.017 1.00 0.00 N ATOM 208 CA ARG A 17 -9.231 1.032 7.035 1.00 0.00 C ATOM 209 C ARG A 17 -10.338 1.955 6.534 1.00 0.00 C ATOM 210 O ARG A 17 -11.349 2.150 7.206 1.00 0.00 O ATOM 211 CB ARG A 17 -9.843 -0.233 7.642 1.00 0.00 C ATOM 212 CG ARG A 17 -8.840 -1.357 7.844 1.00 0.00 C ATOM 213 CD ARG A 17 -9.511 -2.610 8.386 1.00 0.00 C ATOM 214 NE ARG A 17 -10.040 -2.410 9.732 1.00 0.00 N ATOM 215 CZ ARG A 17 -9.284 -2.395 10.824 1.00 0.00 C ATOM 216 NH1 ARG A 17 -7.973 -2.568 10.729 1.00 0.00 N ATOM 217 NH2 ARG A 17 -9.839 -2.207 12.014 1.00 0.00 N ATOM 0 H ARG A 17 -8.583 1.451 8.985 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.603 0.754 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.295 0.017 8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.646 -0.585 6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.351 -1.585 6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.061 -1.032 8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.321 -2.905 7.719 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.793 -3.430 8.397 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.045 -2.274 9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.543 -2.713 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.395 -2.556 11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.847 -2.074 12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.257 -2.196 12.852 1.00 0.00 H new ATOM 231 N GLY A 18 -10.138 2.520 5.347 1.00 0.00 N ATOM 232 CA GLY A 18 -11.126 3.417 4.776 1.00 0.00 C ATOM 233 C GLY A 18 -10.555 4.784 4.460 1.00 0.00 C ATOM 234 O GLY A 18 -11.298 5.746 4.268 1.00 0.00 O ATOM 0 H GLY A 18 -9.309 2.373 4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.529 2.976 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.958 3.526 5.472 1.00 0.00 H new ATOM 238 N ALA A 19 -9.230 4.872 4.406 1.00 0.00 N ATOM 239 CA ALA A 19 -8.559 6.132 4.110 1.00 0.00 C ATOM 240 C ALA A 19 -8.828 6.574 2.676 1.00 0.00 C ATOM 241 O ALA A 19 -8.800 5.762 1.751 1.00 0.00 O ATOM 242 CB ALA A 19 -7.063 6.003 4.354 1.00 0.00 C ATOM 0 H ALA A 19 -8.600 4.086 4.563 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.960 6.894 4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.575 6.951 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.886 5.742 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.655 5.223 3.711 1.00 0.00 H new ATOM 248 N SER A 20 -9.088 7.865 2.498 1.00 0.00 N ATOM 249 CA SER A 20 -9.366 8.413 1.175 1.00 0.00 C ATOM 250 C SER A 20 -8.126 8.348 0.289 1.00 0.00 C ATOM 251 O SER A 20 -7.008 8.190 0.777 1.00 0.00 O ATOM 252 CB SER A 20 -9.849 9.860 1.291 1.00 0.00 C ATOM 253 OG SER A 20 -8.902 10.661 1.977 1.00 0.00 O ATOM 0 H SER A 20 -9.112 8.551 3.252 1.00 0.00 H new ATOM 0 HA SER A 20 -10.151 7.811 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.023 10.269 0.296 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.803 9.887 1.818 1.00 0.00 H new ATOM 0 HG SER A 20 -9.234 11.581 2.036 1.00 0.00 H new ATOM 259 N ASP A 21 -8.334 8.472 -1.018 1.00 0.00 N ATOM 260 CA ASP A 21 -7.235 8.429 -1.974 1.00 0.00 C ATOM 261 C ASP A 21 -6.063 9.280 -1.495 1.00 0.00 C ATOM 262 O ASP A 21 -4.950 8.783 -1.327 1.00 0.00 O ATOM 263 CB ASP A 21 -7.705 8.914 -3.347 1.00 0.00 C ATOM 264 CG ASP A 21 -9.075 8.378 -3.711 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.145 7.281 -4.304 1.00 0.00 O ATOM 266 OD2 ASP A 21 -10.079 9.056 -3.404 1.00 0.00 O ATOM 0 H ASP A 21 -9.254 8.603 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.900 7.395 -2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.730 10.004 -3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.984 8.606 -4.104 1.00 0.00 H new ATOM 271 N GLU A 22 -6.322 10.566 -1.277 1.00 0.00 N ATOM 272 CA GLU A 22 -5.288 11.486 -0.818 1.00 0.00 C ATOM 273 C GLU A 22 -4.474 10.868 0.315 1.00 0.00 C ATOM 274 O GLU A 22 -3.248 10.784 0.238 1.00 0.00 O ATOM 275 CB GLU A 22 -5.915 12.802 -0.352 1.00 0.00 C ATOM 276 CG GLU A 22 -5.007 14.006 -0.532 1.00 0.00 C ATOM 277 CD GLU A 22 -5.166 14.658 -1.892 1.00 0.00 C ATOM 278 OE1 GLU A 22 -6.306 15.021 -2.247 1.00 0.00 O ATOM 279 OE2 GLU A 22 -4.148 14.806 -2.600 1.00 0.00 O ATOM 0 H GLU A 22 -7.238 10.994 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.619 11.687 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.840 12.969 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.183 12.714 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.223 14.739 0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.970 13.697 -0.400 1.00 0.00 H new ATOM 286 N ASP A 23 -5.164 10.438 1.365 1.00 0.00 N ATOM 287 CA ASP A 23 -4.506 9.828 2.514 1.00 0.00 C ATOM 288 C ASP A 23 -3.650 8.641 2.083 1.00 0.00 C ATOM 289 O ASP A 23 -2.507 8.494 2.520 1.00 0.00 O ATOM 290 CB ASP A 23 -5.544 9.377 3.543 1.00 0.00 C ATOM 291 CG ASP A 23 -5.934 10.488 4.498 1.00 0.00 C ATOM 292 OD1 ASP A 23 -5.900 11.665 4.082 1.00 0.00 O ATOM 293 OD2 ASP A 23 -6.271 10.181 5.660 1.00 0.00 O ATOM 0 H ASP A 23 -6.179 10.501 1.444 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.856 10.576 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.433 9.019 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.146 8.536 4.111 1.00 0.00 H new ATOM 298 N LEU A 24 -4.210 7.795 1.225 1.00 0.00 N ATOM 299 CA LEU A 24 -3.498 6.620 0.734 1.00 0.00 C ATOM 300 C LEU A 24 -2.263 7.024 -0.063 1.00 0.00 C ATOM 301 O LEU A 24 -1.253 6.320 -0.065 1.00 0.00 O ATOM 302 CB LEU A 24 -4.423 5.765 -0.134 1.00 0.00 C ATOM 303 CG LEU A 24 -5.724 5.303 0.524 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.821 5.145 -0.517 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.507 3.997 1.275 1.00 0.00 C ATOM 0 H LEU A 24 -5.155 7.901 0.855 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.175 6.035 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.674 6.332 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.871 4.883 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.037 6.063 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.739 4.816 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.995 6.101 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.517 4.405 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.443 3.683 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.170 3.229 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.752 4.143 2.048 1.00 0.00 H new ATOM 317 N LYS A 25 -2.349 8.165 -0.739 1.00 0.00 N ATOM 318 CA LYS A 25 -1.237 8.667 -1.539 1.00 0.00 C ATOM 319 C LYS A 25 -0.096 9.143 -0.646 1.00 0.00 C ATOM 320 O LYS A 25 0.977 8.540 -0.616 1.00 0.00 O ATOM 321 CB LYS A 25 -1.706 9.811 -2.440 1.00 0.00 C ATOM 322 CG LYS A 25 -0.681 10.225 -3.481 1.00 0.00 C ATOM 323 CD LYS A 25 -1.278 11.175 -4.505 1.00 0.00 C ATOM 324 CE LYS A 25 -0.207 11.766 -5.408 1.00 0.00 C ATOM 325 NZ LYS A 25 0.494 12.911 -4.763 1.00 0.00 N ATOM 0 H LYS A 25 -3.177 8.760 -0.749 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.871 7.850 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.624 9.511 -2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.951 10.674 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.165 10.704 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.296 9.339 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.013 10.644 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.807 11.978 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.519 10.994 -5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.662 12.098 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.216 13.285 -5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.194 13.659 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.950 12.589 -3.885 1.00 0.00 H new ATOM 339 N LYS A 26 -0.335 10.229 0.082 1.00 0.00 N ATOM 340 CA LYS A 26 0.671 10.786 0.979 1.00 0.00 C ATOM 341 C LYS A 26 1.442 9.677 1.687 1.00 0.00 C ATOM 342 O LYS A 26 2.667 9.601 1.592 1.00 0.00 O ATOM 343 CB LYS A 26 0.012 11.703 2.011 1.00 0.00 C ATOM 344 CG LYS A 26 -0.692 12.901 1.399 1.00 0.00 C ATOM 345 CD LYS A 26 -1.721 13.490 2.350 1.00 0.00 C ATOM 346 CE LYS A 26 -2.196 14.857 1.881 1.00 0.00 C ATOM 347 NZ LYS A 26 -3.225 15.429 2.793 1.00 0.00 N ATOM 0 H LYS A 26 -1.217 10.741 0.068 1.00 0.00 H new ATOM 0 HA LYS A 26 1.373 11.368 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.709 11.125 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.772 12.056 2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.043 13.663 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.181 12.602 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.573 12.815 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.289 13.576 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.346 15.536 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.608 14.773 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.523 16.360 2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.047 14.793 2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.824 15.533 3.747 1.00 0.00 H new ATOM 361 N ALA A 27 0.717 8.818 2.396 1.00 0.00 N ATOM 362 CA ALA A 27 1.333 7.711 3.118 1.00 0.00 C ATOM 363 C ALA A 27 2.124 6.813 2.173 1.00 0.00 C ATOM 364 O ALA A 27 3.268 6.453 2.455 1.00 0.00 O ATOM 365 CB ALA A 27 0.273 6.904 3.852 1.00 0.00 C ATOM 0 H ALA A 27 -0.298 8.867 2.486 1.00 0.00 H new ATOM 0 HA ALA A 27 2.027 8.127 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.748 6.081 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.246 7.547 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.443 6.505 3.133 1.00 0.00 H new ATOM 371 N TYR A 28 1.509 6.454 1.052 1.00 0.00 N ATOM 372 CA TYR A 28 2.155 5.594 0.067 1.00 0.00 C ATOM 373 C TYR A 28 3.511 6.160 -0.343 1.00 0.00 C ATOM 374 O TYR A 28 4.532 5.476 -0.260 1.00 0.00 O ATOM 375 CB TYR A 28 1.263 5.436 -1.165 1.00 0.00 C ATOM 376 CG TYR A 28 1.946 4.741 -2.322 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.893 3.749 -2.101 1.00 0.00 C ATOM 378 CD2 TYR A 28 1.643 5.076 -3.636 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.520 3.112 -3.154 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.263 4.444 -4.696 1.00 0.00 C ATOM 381 CZ TYR A 28 3.201 3.463 -4.450 1.00 0.00 C ATOM 382 OH TYR A 28 3.823 2.830 -5.502 1.00 0.00 O ATOM 0 H TYR A 28 0.564 6.745 0.802 1.00 0.00 H new ATOM 0 HA TYR A 28 2.312 4.616 0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.372 4.872 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.929 6.421 -1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.143 3.471 -1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.910 5.844 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.255 2.344 -2.964 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.015 4.716 -5.711 1.00 0.00 H new ATOM 0 HH TYR A 28 3.485 3.192 -6.348 1.00 0.00 H new ATOM 392 N ARG A 29 3.514 7.413 -0.784 1.00 0.00 N ATOM 393 CA ARG A 29 4.744 8.072 -1.208 1.00 0.00 C ATOM 394 C ARG A 29 5.749 8.135 -0.061 1.00 0.00 C ATOM 395 O ARG A 29 6.868 7.634 -0.175 1.00 0.00 O ATOM 396 CB ARG A 29 4.443 9.483 -1.715 1.00 0.00 C ATOM 397 CG ARG A 29 3.608 9.509 -2.985 1.00 0.00 C ATOM 398 CD ARG A 29 3.762 10.828 -3.726 1.00 0.00 C ATOM 399 NE ARG A 29 4.991 10.872 -4.514 1.00 0.00 N ATOM 400 CZ ARG A 29 5.416 11.956 -5.154 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.714 13.079 -5.099 1.00 0.00 N ATOM 402 NH2 ARG A 29 6.544 11.917 -5.850 1.00 0.00 N ATOM 0 H ARG A 29 2.678 7.993 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 29 5.179 7.488 -2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.920 10.036 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.384 10.002 -1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.908 8.688 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.559 9.351 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.905 10.977 -4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.761 11.649 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 29 5.554 10.024 -4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.846 13.112 -4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.042 13.910 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.086 11.054 -5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.869 12.750 -6.341 1.00 0.00 H new ATOM 416 N ARG A 30 5.342 8.754 1.042 1.00 0.00 N ATOM 417 CA ARG A 30 6.208 8.885 2.208 1.00 0.00 C ATOM 418 C ARG A 30 7.099 7.656 2.363 1.00 0.00 C ATOM 419 O ARG A 30 8.239 7.757 2.821 1.00 0.00 O ATOM 420 CB ARG A 30 5.369 9.083 3.472 1.00 0.00 C ATOM 421 CG ARG A 30 6.176 9.000 4.757 1.00 0.00 C ATOM 422 CD ARG A 30 5.282 8.749 5.961 1.00 0.00 C ATOM 423 NE ARG A 30 4.821 9.994 6.570 1.00 0.00 N ATOM 424 CZ ARG A 30 4.416 10.090 7.831 1.00 0.00 C ATOM 425 NH1 ARG A 30 4.417 9.020 8.614 1.00 0.00 N ATOM 426 NH2 ARG A 30 4.011 11.258 8.312 1.00 0.00 N ATOM 0 H ARG A 30 4.419 9.173 1.153 1.00 0.00 H new ATOM 0 HA ARG A 30 6.844 9.758 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.878 10.055 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.582 8.329 3.498 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.911 8.199 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.730 9.928 4.901 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.421 8.154 5.655 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.827 8.163 6.701 1.00 0.00 H new ATOM 0 HE ARG A 30 4.810 10.836 5.995 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.729 8.121 8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.105 9.096 9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.010 12.084 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.700 11.330 9.281 1.00 0.00 H new ATOM 440 N LEU A 31 6.574 6.498 1.981 1.00 0.00 N ATOM 441 CA LEU A 31 7.321 5.249 2.078 1.00 0.00 C ATOM 442 C LEU A 31 8.226 5.060 0.864 1.00 0.00 C ATOM 443 O LEU A 31 9.446 4.973 0.995 1.00 0.00 O ATOM 444 CB LEU A 31 6.361 4.065 2.201 1.00 0.00 C ATOM 445 CG LEU A 31 5.339 4.146 3.336 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.342 3.001 3.239 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.039 4.133 4.687 1.00 0.00 C ATOM 0 H LEU A 31 5.633 6.397 1.601 1.00 0.00 H new ATOM 0 HA LEU A 31 7.945 5.297 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.822 3.961 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.950 3.157 2.333 1.00 0.00 H new ATOM 0 HG LEU A 31 4.794 5.085 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.623 3.075 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.817 3.056 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.872 2.051 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.296 4.191 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.611 3.211 4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.712 4.987 4.756 1.00 0.00 H new ATOM 459 N ALA A 32 7.619 5.001 -0.317 1.00 0.00 N ATOM 460 CA ALA A 32 8.369 4.827 -1.554 1.00 0.00 C ATOM 461 C ALA A 32 9.677 5.611 -1.517 1.00 0.00 C ATOM 462 O ALA A 32 10.738 5.083 -1.851 1.00 0.00 O ATOM 463 CB ALA A 32 7.528 5.257 -2.747 1.00 0.00 C ATOM 0 H ALA A 32 6.609 5.071 -0.443 1.00 0.00 H new ATOM 0 HA ALA A 32 8.611 3.769 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.101 5.121 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.623 4.651 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.256 6.307 -2.641 1.00 0.00 H new ATOM 469 N LEU A 33 9.594 6.872 -1.111 1.00 0.00 N ATOM 470 CA LEU A 33 10.772 7.730 -1.031 1.00 0.00 C ATOM 471 C LEU A 33 11.840 7.106 -0.138 1.00 0.00 C ATOM 472 O LEU A 33 13.032 7.179 -0.435 1.00 0.00 O ATOM 473 CB LEU A 33 10.387 9.110 -0.497 1.00 0.00 C ATOM 474 CG LEU A 33 9.631 10.019 -1.467 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.605 10.824 -2.313 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.704 9.199 -2.352 1.00 0.00 C ATOM 0 H LEU A 33 8.723 7.324 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 33 11.182 7.838 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.775 8.974 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.296 9.623 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 33 9.025 10.715 -0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.049 11.465 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.228 11.440 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.237 10.145 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.174 9.862 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.290 8.480 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.983 8.668 -1.730 1.00 0.00 H new ATOM 488 N LYS A 34 11.404 6.491 0.956 1.00 0.00 N ATOM 489 CA LYS A 34 12.321 5.850 1.891 1.00 0.00 C ATOM 490 C LYS A 34 12.848 4.537 1.323 1.00 0.00 C ATOM 491 O LYS A 34 13.988 4.150 1.582 1.00 0.00 O ATOM 492 CB LYS A 34 11.622 5.596 3.229 1.00 0.00 C ATOM 493 CG LYS A 34 12.438 4.747 4.189 1.00 0.00 C ATOM 494 CD LYS A 34 11.547 4.002 5.168 1.00 0.00 C ATOM 495 CE LYS A 34 12.308 2.897 5.885 1.00 0.00 C ATOM 496 NZ LYS A 34 13.194 3.438 6.954 1.00 0.00 N ATOM 0 H LYS A 34 10.420 6.423 1.217 1.00 0.00 H new ATOM 0 HA LYS A 34 13.165 6.521 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.401 6.553 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.667 5.104 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.038 4.033 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.132 5.383 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.144 4.702 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.698 3.574 4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.600 2.193 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.907 2.341 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.695 2.654 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.886 4.091 6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.620 3.947 7.656 1.00 0.00 H new ATOM 510 N PHE A 35 12.012 3.855 0.546 1.00 0.00 N ATOM 511 CA PHE A 35 12.395 2.585 -0.059 1.00 0.00 C ATOM 512 C PHE A 35 12.619 2.744 -1.560 1.00 0.00 C ATOM 513 O PHE A 35 12.517 1.780 -2.320 1.00 0.00 O ATOM 514 CB PHE A 35 11.318 1.529 0.198 1.00 0.00 C ATOM 515 CG PHE A 35 11.007 1.332 1.654 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.906 0.685 2.487 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.816 1.794 2.190 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.623 0.503 3.828 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.528 1.616 3.530 1.00 0.00 C ATOM 520 CZ PHE A 35 10.432 0.968 4.350 1.00 0.00 C ATOM 0 H PHE A 35 11.065 4.161 0.321 1.00 0.00 H new ATOM 0 HA PHE A 35 13.330 2.260 0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.406 1.817 -0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.643 0.579 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.839 0.319 2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.104 2.299 1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.333 -0.002 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.597 1.983 3.936 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.208 0.826 5.397 1.00 0.00 H new ATOM 530 N HIS A 36 12.923 3.967 -1.981 1.00 0.00 N ATOM 531 CA HIS A 36 13.162 4.253 -3.392 1.00 0.00 C ATOM 532 C HIS A 36 14.552 3.786 -3.813 1.00 0.00 C ATOM 533 O HIS A 36 15.528 3.918 -3.074 1.00 0.00 O ATOM 534 CB HIS A 36 13.010 5.750 -3.663 1.00 0.00 C ATOM 535 CG HIS A 36 12.528 6.063 -5.046 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.360 6.516 -6.048 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.293 5.983 -5.592 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.656 6.704 -7.150 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.399 6.387 -6.900 1.00 0.00 N ATOM 0 H HIS A 36 13.010 4.776 -1.366 1.00 0.00 H new ATOM 0 HA HIS A 36 12.422 3.708 -3.978 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.313 6.173 -2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.971 6.239 -3.503 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.391 5.661 -5.092 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.043 7.057 -8.095 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.631 6.434 -7.570 1.00 0.00 H new ATOM 547 N PRO A 37 14.645 3.226 -5.028 1.00 0.00 N ATOM 548 CA PRO A 37 15.911 2.728 -5.575 1.00 0.00 C ATOM 549 C PRO A 37 16.881 3.856 -5.912 1.00 0.00 C ATOM 550 O PRO A 37 18.096 3.662 -5.914 1.00 0.00 O ATOM 551 CB PRO A 37 15.483 1.993 -6.847 1.00 0.00 C ATOM 552 CG PRO A 37 14.200 2.638 -7.244 1.00 0.00 C ATOM 553 CD PRO A 37 13.523 3.037 -5.962 1.00 0.00 C ATOM 0 HA PRO A 37 16.444 2.099 -4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.234 2.089 -7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.350 0.927 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.380 3.507 -7.877 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.578 1.950 -7.816 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.942 3.951 -6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.836 2.266 -5.614 1.00 0.00 H new ATOM 561 N ASP A 38 16.335 5.033 -6.196 1.00 0.00 N ATOM 562 CA ASP A 38 17.153 6.193 -6.533 1.00 0.00 C ATOM 563 C ASP A 38 17.590 6.934 -5.273 1.00 0.00 C ATOM 564 O ASP A 38 18.701 7.460 -5.203 1.00 0.00 O ATOM 565 CB ASP A 38 16.380 7.138 -7.454 1.00 0.00 C ATOM 566 CG ASP A 38 17.296 8.021 -8.279 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.299 8.516 -7.724 1.00 0.00 O ATOM 568 OD2 ASP A 38 17.009 8.217 -9.478 1.00 0.00 O ATOM 0 H ASP A 38 15.330 5.209 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 38 18.044 5.840 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.747 6.553 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.719 7.764 -6.855 1.00 0.00 H new ATOM 573 N LYS A 39 16.708 6.974 -4.280 1.00 0.00 N ATOM 574 CA LYS A 39 17.002 7.651 -3.022 1.00 0.00 C ATOM 575 C LYS A 39 17.876 6.779 -2.127 1.00 0.00 C ATOM 576 O LYS A 39 18.977 7.173 -1.745 1.00 0.00 O ATOM 577 CB LYS A 39 15.703 8.006 -2.296 1.00 0.00 C ATOM 578 CG LYS A 39 14.760 8.866 -3.119 1.00 0.00 C ATOM 579 CD LYS A 39 13.923 9.778 -2.238 1.00 0.00 C ATOM 580 CE LYS A 39 14.608 11.116 -2.010 1.00 0.00 C ATOM 581 NZ LYS A 39 16.037 10.949 -1.624 1.00 0.00 N ATOM 0 H LYS A 39 15.783 6.545 -4.322 1.00 0.00 H new ATOM 0 HA LYS A 39 17.546 8.568 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.190 7.086 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.945 8.530 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.336 9.467 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.104 8.226 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.950 9.941 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.742 9.293 -1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.545 11.716 -2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.082 11.665 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.432 11.870 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.106 10.288 -0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.573 10.572 -2.432 1.00 0.00 H new ATOM 595 N ASN A 40 17.378 5.592 -1.797 1.00 0.00 N ATOM 596 CA ASN A 40 18.115 4.663 -0.946 1.00 0.00 C ATOM 597 C ASN A 40 19.437 4.265 -1.594 1.00 0.00 C ATOM 598 O ASN A 40 19.623 4.424 -2.801 1.00 0.00 O ATOM 599 CB ASN A 40 17.274 3.416 -0.669 1.00 0.00 C ATOM 600 CG ASN A 40 17.620 2.768 0.657 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.691 2.181 0.814 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.712 2.871 1.621 1.00 0.00 N ATOM 0 H ASN A 40 16.468 5.250 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 40 18.330 5.165 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.218 3.685 -0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.423 2.695 -1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.889 2.454 2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.838 3.367 1.447 1.00 0.00 H new ATOM 609 N HIS A 41 20.354 3.747 -0.784 1.00 0.00 N ATOM 610 CA HIS A 41 21.660 3.324 -1.278 1.00 0.00 C ATOM 611 C HIS A 41 21.913 1.854 -0.956 1.00 0.00 C ATOM 612 O HIS A 41 22.437 1.109 -1.784 1.00 0.00 O ATOM 613 CB HIS A 41 22.764 4.189 -0.667 1.00 0.00 C ATOM 614 CG HIS A 41 23.171 3.758 0.708 1.00 0.00 C ATOM 615 ND1 HIS A 41 24.208 2.880 0.946 1.00 0.00 N ATOM 616 CD2 HIS A 41 22.675 4.090 1.923 1.00 0.00 C ATOM 617 CE1 HIS A 41 24.331 2.690 2.247 1.00 0.00 C ATOM 618 NE2 HIS A 41 23.413 3.413 2.863 1.00 0.00 N ATOM 0 H HIS A 41 20.217 3.610 0.217 1.00 0.00 H new ATOM 0 HA HIS A 41 21.669 3.447 -2.361 1.00 0.00 H new ATOM 0 HB2 HIS A 41 23.637 4.164 -1.320 1.00 0.00 H new ATOM 0 HB3 HIS A 41 22.424 5.224 -0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 41 21.852 4.762 2.117 1.00 0.00 H new ATOM 0 HE1 HIS A 41 25.059 2.052 2.726 1.00 0.00 H new ATOM 0 HE2 HIS A 41 23.275 3.461 3.872 1.00 0.00 H new ATOM 626 N ALA A 42 21.538 1.444 0.251 1.00 0.00 N ATOM 627 CA ALA A 42 21.723 0.064 0.681 1.00 0.00 C ATOM 628 C ALA A 42 20.678 -0.851 0.053 1.00 0.00 C ATOM 629 O ALA A 42 19.520 -0.475 -0.134 1.00 0.00 O ATOM 630 CB ALA A 42 21.666 -0.029 2.198 1.00 0.00 C ATOM 0 H ALA A 42 21.104 2.048 0.949 1.00 0.00 H new ATOM 0 HA ALA A 42 22.706 -0.266 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 42 21.806 -1.066 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.455 0.587 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.696 0.325 2.548 1.00 0.00 H new ATOM 636 N PRO A 43 21.092 -2.082 -0.283 1.00 0.00 N ATOM 637 CA PRO A 43 20.206 -3.076 -0.896 1.00 0.00 C ATOM 638 C PRO A 43 19.151 -3.590 0.078 1.00 0.00 C ATOM 639 O PRO A 43 19.411 -3.733 1.272 1.00 0.00 O ATOM 640 CB PRO A 43 21.161 -4.204 -1.295 1.00 0.00 C ATOM 641 CG PRO A 43 22.316 -4.070 -0.364 1.00 0.00 C ATOM 642 CD PRO A 43 22.458 -2.598 -0.090 1.00 0.00 C ATOM 0 HA PRO A 43 19.643 -2.661 -1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 43 20.684 -5.179 -1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.477 -4.107 -2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 43 22.140 -4.624 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 43 23.225 -4.474 -0.809 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.819 -2.410 0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 43 23.165 -2.128 -0.774 1.00 0.00 H new ATOM 650 N GLY A 44 17.959 -3.869 -0.441 1.00 0.00 N ATOM 651 CA GLY A 44 16.883 -4.365 0.397 1.00 0.00 C ATOM 652 C GLY A 44 15.697 -3.421 0.438 1.00 0.00 C ATOM 653 O GLY A 44 14.606 -3.764 -0.016 1.00 0.00 O ATOM 0 H GLY A 44 17.719 -3.760 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.557 -5.337 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.256 -4.518 1.409 1.00 0.00 H new ATOM 657 N ALA A 45 15.911 -2.228 0.985 1.00 0.00 N ATOM 658 CA ALA A 45 14.851 -1.232 1.083 1.00 0.00 C ATOM 659 C ALA A 45 13.949 -1.267 -0.146 1.00 0.00 C ATOM 660 O ALA A 45 12.728 -1.381 -0.031 1.00 0.00 O ATOM 661 CB ALA A 45 15.447 0.156 1.263 1.00 0.00 C ATOM 0 H ALA A 45 16.808 -1.928 1.367 1.00 0.00 H new ATOM 0 HA ALA A 45 14.242 -1.470 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.644 0.890 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.044 0.180 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.081 0.394 0.408 1.00 0.00 H new ATOM 667 N THR A 46 14.557 -1.168 -1.324 1.00 0.00 N ATOM 668 CA THR A 46 13.809 -1.187 -2.575 1.00 0.00 C ATOM 669 C THR A 46 12.882 -2.395 -2.642 1.00 0.00 C ATOM 670 O THR A 46 11.678 -2.253 -2.858 1.00 0.00 O ATOM 671 CB THR A 46 14.751 -1.208 -3.793 1.00 0.00 C ATOM 672 OG1 THR A 46 15.974 -0.533 -3.478 1.00 0.00 O ATOM 673 CG2 THR A 46 14.096 -0.546 -4.996 1.00 0.00 C ATOM 0 H THR A 46 15.566 -1.074 -1.438 1.00 0.00 H new ATOM 0 HA THR A 46 13.214 -0.274 -2.602 1.00 0.00 H new ATOM 0 HB THR A 46 14.964 -2.248 -4.042 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.568 -0.552 -4.257 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.781 -0.573 -5.844 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.181 -1.080 -5.252 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.857 0.490 -4.756 1.00 0.00 H new ATOM 681 N GLU A 47 13.449 -3.582 -2.456 1.00 0.00 N ATOM 682 CA GLU A 47 12.672 -4.815 -2.497 1.00 0.00 C ATOM 683 C GLU A 47 11.315 -4.624 -1.825 1.00 0.00 C ATOM 684 O GLU A 47 10.331 -5.263 -2.198 1.00 0.00 O ATOM 685 CB GLU A 47 13.437 -5.949 -1.812 1.00 0.00 C ATOM 686 CG GLU A 47 14.712 -6.347 -2.536 1.00 0.00 C ATOM 687 CD GLU A 47 15.176 -7.745 -2.176 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.667 -8.712 -2.781 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.046 -7.872 -1.290 1.00 0.00 O ATOM 0 H GLU A 47 14.444 -3.716 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 47 12.508 -5.077 -3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.686 -5.646 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.786 -6.820 -1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.548 -6.289 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.500 -5.633 -2.295 1.00 0.00 H new ATOM 696 N ALA A 48 11.271 -3.741 -0.833 1.00 0.00 N ATOM 697 CA ALA A 48 10.035 -3.465 -0.110 1.00 0.00 C ATOM 698 C ALA A 48 9.133 -2.527 -0.905 1.00 0.00 C ATOM 699 O ALA A 48 7.926 -2.751 -1.009 1.00 0.00 O ATOM 700 CB ALA A 48 10.345 -2.871 1.256 1.00 0.00 C ATOM 0 H ALA A 48 12.077 -3.204 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 48 9.504 -4.407 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.414 -2.670 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.944 -3.576 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.900 -1.941 1.131 1.00 0.00 H new ATOM 706 N PHE A 49 9.724 -1.476 -1.463 1.00 0.00 N ATOM 707 CA PHE A 49 8.972 -0.503 -2.247 1.00 0.00 C ATOM 708 C PHE A 49 8.029 -1.202 -3.222 1.00 0.00 C ATOM 709 O PHE A 49 6.911 -0.744 -3.458 1.00 0.00 O ATOM 710 CB PHE A 49 9.928 0.413 -3.014 1.00 0.00 C ATOM 711 CG PHE A 49 9.263 1.184 -4.118 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.176 2.001 -3.854 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.724 1.090 -5.422 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.562 2.712 -4.868 1.00 0.00 C ATOM 715 CE2 PHE A 49 9.114 1.798 -6.440 1.00 0.00 C ATOM 716 CZ PHE A 49 8.031 2.609 -6.163 1.00 0.00 C ATOM 0 H PHE A 49 10.721 -1.276 -1.387 1.00 0.00 H new ATOM 0 HA PHE A 49 8.376 0.098 -1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.385 1.114 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.734 -0.188 -3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.804 2.083 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.570 0.456 -5.645 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.717 3.347 -4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.484 1.717 -7.451 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.552 3.162 -6.958 1.00 0.00 H new ATOM 726 N LYS A 50 8.487 -2.315 -3.785 1.00 0.00 N ATOM 727 CA LYS A 50 7.686 -3.079 -4.733 1.00 0.00 C ATOM 728 C LYS A 50 6.357 -3.495 -4.111 1.00 0.00 C ATOM 729 O LYS A 50 5.298 -3.326 -4.716 1.00 0.00 O ATOM 730 CB LYS A 50 8.454 -4.319 -5.198 1.00 0.00 C ATOM 731 CG LYS A 50 9.335 -4.069 -6.409 1.00 0.00 C ATOM 732 CD LYS A 50 10.528 -5.011 -6.435 1.00 0.00 C ATOM 733 CE LYS A 50 11.649 -4.467 -7.307 1.00 0.00 C ATOM 734 NZ LYS A 50 12.535 -5.552 -7.812 1.00 0.00 N ATOM 0 H LYS A 50 9.410 -2.708 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 50 7.481 -2.442 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.073 -4.682 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.742 -5.110 -5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.749 -4.197 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.685 -3.037 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.896 -5.162 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.215 -5.986 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.222 -3.924 -8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.240 -3.752 -6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.286 -5.140 -8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.962 -6.054 -7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.976 -6.221 -8.380 1.00 0.00 H new ATOM 748 N ALA A 51 6.420 -4.039 -2.900 1.00 0.00 N ATOM 749 CA ALA A 51 5.220 -4.475 -2.195 1.00 0.00 C ATOM 750 C ALA A 51 4.295 -3.298 -1.906 1.00 0.00 C ATOM 751 O ALA A 51 3.083 -3.386 -2.107 1.00 0.00 O ATOM 752 CB ALA A 51 5.596 -5.183 -0.903 1.00 0.00 C ATOM 0 H ALA A 51 7.289 -4.188 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 51 4.685 -5.174 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.691 -5.503 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.211 -6.054 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.156 -4.500 -0.264 1.00 0.00 H new ATOM 758 N ILE A 52 4.873 -2.199 -1.434 1.00 0.00 N ATOM 759 CA ILE A 52 4.098 -1.005 -1.118 1.00 0.00 C ATOM 760 C ILE A 52 3.113 -0.677 -2.234 1.00 0.00 C ATOM 761 O ILE A 52 1.903 -0.834 -2.074 1.00 0.00 O ATOM 762 CB ILE A 52 5.012 0.212 -0.881 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.187 -0.173 0.021 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.220 1.357 -0.268 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.932 1.018 0.582 1.00 0.00 C ATOM 0 H ILE A 52 5.874 -2.110 -1.262 1.00 0.00 H new ATOM 0 HA ILE A 52 3.547 -1.220 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 52 5.408 0.543 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.817 -0.782 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.882 -0.792 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.879 2.210 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.414 1.644 -0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.798 1.038 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.751 0.671 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.332 1.616 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.250 1.627 1.176 1.00 0.00 H new ATOM 777 N GLY A 53 3.640 -0.223 -3.367 1.00 0.00 N ATOM 778 CA GLY A 53 2.793 0.118 -4.495 1.00 0.00 C ATOM 779 C GLY A 53 1.634 -0.845 -4.662 1.00 0.00 C ATOM 780 O GLY A 53 0.475 -0.432 -4.704 1.00 0.00 O ATOM 0 H GLY A 53 4.638 -0.085 -3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.406 1.128 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.391 0.123 -5.406 1.00 0.00 H new ATOM 784 N THR A 54 1.946 -2.133 -4.759 1.00 0.00 N ATOM 785 CA THR A 54 0.922 -3.157 -4.925 1.00 0.00 C ATOM 786 C THR A 54 -0.319 -2.831 -4.102 1.00 0.00 C ATOM 787 O THR A 54 -1.445 -2.968 -4.580 1.00 0.00 O ATOM 788 CB THR A 54 1.445 -4.547 -4.515 1.00 0.00 C ATOM 789 OG1 THR A 54 2.632 -4.860 -5.252 1.00 0.00 O ATOM 790 CG2 THR A 54 0.392 -5.616 -4.761 1.00 0.00 C ATOM 0 H THR A 54 2.900 -2.492 -4.725 1.00 0.00 H new ATOM 0 HA THR A 54 0.660 -3.173 -5.983 1.00 0.00 H new ATOM 0 HB THR A 54 1.674 -4.525 -3.450 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.395 -4.387 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.784 -6.589 -4.464 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.499 -5.390 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.135 -5.637 -5.820 1.00 0.00 H new ATOM 798 N ALA A 55 -0.107 -2.400 -2.863 1.00 0.00 N ATOM 799 CA ALA A 55 -1.209 -2.052 -1.975 1.00 0.00 C ATOM 800 C ALA A 55 -1.887 -0.761 -2.422 1.00 0.00 C ATOM 801 O ALA A 55 -3.099 -0.728 -2.639 1.00 0.00 O ATOM 802 CB ALA A 55 -0.712 -1.921 -0.543 1.00 0.00 C ATOM 0 H ALA A 55 0.819 -2.283 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.946 -2.853 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.546 -1.661 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.280 -2.868 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.047 -1.140 -0.491 1.00 0.00 H new ATOM 808 N TYR A 56 -1.099 0.300 -2.557 1.00 0.00 N ATOM 809 CA TYR A 56 -1.625 1.594 -2.974 1.00 0.00 C ATOM 810 C TYR A 56 -2.502 1.451 -4.214 1.00 0.00 C ATOM 811 O TYR A 56 -3.596 2.009 -4.281 1.00 0.00 O ATOM 812 CB TYR A 56 -0.478 2.566 -3.256 1.00 0.00 C ATOM 813 CG TYR A 56 -0.937 3.906 -3.788 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.604 4.809 -2.969 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.702 4.268 -5.108 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.025 6.033 -3.451 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.118 5.491 -5.598 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.780 6.369 -4.766 1.00 0.00 C ATOM 819 OH TYR A 56 -2.197 7.588 -5.249 1.00 0.00 O ATOM 0 H TYR A 56 -0.094 0.289 -2.384 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.236 1.989 -2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.088 2.723 -2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.203 2.112 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.796 4.549 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.185 3.582 -5.763 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.543 6.723 -2.802 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.926 5.758 -6.627 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.946 7.669 -6.193 1.00 0.00 H new ATOM 829 N ALA A 57 -2.012 0.699 -5.194 1.00 0.00 N ATOM 830 CA ALA A 57 -2.751 0.479 -6.431 1.00 0.00 C ATOM 831 C ALA A 57 -4.156 -0.042 -6.146 1.00 0.00 C ATOM 832 O ALA A 57 -5.145 0.528 -6.607 1.00 0.00 O ATOM 833 CB ALA A 57 -1.999 -0.490 -7.331 1.00 0.00 C ATOM 0 H ALA A 57 -1.106 0.232 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.844 1.436 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.563 -0.645 -8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.019 -0.078 -7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.875 -1.443 -6.817 1.00 0.00 H new ATOM 839 N VAL A 58 -4.236 -1.129 -5.385 1.00 0.00 N ATOM 840 CA VAL A 58 -5.520 -1.726 -5.039 1.00 0.00 C ATOM 841 C VAL A 58 -6.467 -0.689 -4.446 1.00 0.00 C ATOM 842 O VAL A 58 -7.442 -0.287 -5.082 1.00 0.00 O ATOM 843 CB VAL A 58 -5.348 -2.882 -4.035 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.704 -3.414 -3.596 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.501 -3.991 -4.640 1.00 0.00 C ATOM 0 H VAL A 58 -3.427 -1.614 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.947 -2.116 -5.963 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.831 -2.501 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.563 -4.230 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.272 -2.614 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.250 -3.779 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.390 -4.799 -3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.988 -4.372 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.518 -3.598 -4.899 1.00 0.00 H new ATOM 855 N LEU A 59 -6.174 -0.259 -3.224 1.00 0.00 N ATOM 856 CA LEU A 59 -6.999 0.733 -2.543 1.00 0.00 C ATOM 857 C LEU A 59 -7.237 1.947 -3.435 1.00 0.00 C ATOM 858 O LEU A 59 -8.379 2.320 -3.702 1.00 0.00 O ATOM 859 CB LEU A 59 -6.334 1.169 -1.236 1.00 0.00 C ATOM 860 CG LEU A 59 -5.835 0.043 -0.329 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.142 0.614 0.898 1.00 0.00 C ATOM 862 CD2 LEU A 59 -6.988 -0.863 0.079 1.00 0.00 C ATOM 0 H LEU A 59 -5.371 -0.582 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.962 0.275 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.490 1.814 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.046 1.773 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.111 -0.553 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.794 -0.202 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.291 1.220 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.844 1.233 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.615 -1.659 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.736 -0.280 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.440 -1.300 -0.811 1.00 0.00 H new ATOM 874 N SER A 60 -6.150 2.560 -3.895 1.00 0.00 N ATOM 875 CA SER A 60 -6.241 3.733 -4.756 1.00 0.00 C ATOM 876 C SER A 60 -7.408 3.603 -5.730 1.00 0.00 C ATOM 877 O SER A 60 -8.027 4.596 -6.109 1.00 0.00 O ATOM 878 CB SER A 60 -4.935 3.926 -5.530 1.00 0.00 C ATOM 879 OG SER A 60 -5.011 5.053 -6.385 1.00 0.00 O ATOM 0 H SER A 60 -5.197 2.263 -3.686 1.00 0.00 H new ATOM 0 HA SER A 60 -6.413 4.604 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.109 4.052 -4.830 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.722 3.033 -6.118 1.00 0.00 H new ATOM 0 HG SER A 60 -4.164 5.156 -6.867 1.00 0.00 H new ATOM 885 N ASN A 61 -7.701 2.371 -6.132 1.00 0.00 N ATOM 886 CA ASN A 61 -8.793 2.109 -7.062 1.00 0.00 C ATOM 887 C ASN A 61 -10.078 1.772 -6.312 1.00 0.00 C ATOM 888 O ASN A 61 -10.068 1.084 -5.291 1.00 0.00 O ATOM 889 CB ASN A 61 -8.424 0.963 -8.005 1.00 0.00 C ATOM 890 CG ASN A 61 -7.696 1.445 -9.245 1.00 0.00 C ATOM 891 OD1 ASN A 61 -6.500 1.735 -9.202 1.00 0.00 O ATOM 892 ND2 ASN A 61 -8.416 1.533 -10.357 1.00 0.00 N ATOM 0 H ASN A 61 -7.197 1.538 -5.828 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.962 3.012 -7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.796 0.247 -7.474 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.330 0.434 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.981 1.852 -11.223 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.405 1.282 -10.346 1.00 0.00 H new ATOM 899 N PRO A 62 -11.213 2.268 -6.829 1.00 0.00 N ATOM 900 CA PRO A 62 -12.527 2.032 -6.225 1.00 0.00 C ATOM 901 C PRO A 62 -12.979 0.582 -6.369 1.00 0.00 C ATOM 902 O PRO A 62 -13.636 0.037 -5.483 1.00 0.00 O ATOM 903 CB PRO A 62 -13.452 2.961 -7.014 1.00 0.00 C ATOM 904 CG PRO A 62 -12.775 3.144 -8.328 1.00 0.00 C ATOM 905 CD PRO A 62 -11.299 3.097 -8.043 1.00 0.00 C ATOM 0 HA PRO A 62 -12.523 2.223 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.442 2.523 -7.137 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.586 3.914 -6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.063 2.359 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.055 4.095 -8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.744 2.656 -8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.889 4.094 -7.879 1.00 0.00 H new ATOM 913 N GLU A 63 -12.623 -0.035 -7.491 1.00 0.00 N ATOM 914 CA GLU A 63 -12.993 -1.422 -7.750 1.00 0.00 C ATOM 915 C GLU A 63 -12.081 -2.380 -6.988 1.00 0.00 C ATOM 916 O GLU A 63 -12.531 -3.400 -6.466 1.00 0.00 O ATOM 917 CB GLU A 63 -12.926 -1.720 -9.249 1.00 0.00 C ATOM 918 CG GLU A 63 -13.691 -2.968 -9.656 1.00 0.00 C ATOM 919 CD GLU A 63 -13.532 -3.295 -11.129 1.00 0.00 C ATOM 920 OE1 GLU A 63 -12.379 -3.451 -11.582 1.00 0.00 O ATOM 921 OE2 GLU A 63 -14.562 -3.394 -11.828 1.00 0.00 O ATOM 0 H GLU A 63 -12.079 0.403 -8.235 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.016 -1.569 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.322 -0.866 -9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.882 -1.832 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.344 -3.813 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.749 -2.831 -9.430 1.00 0.00 H new ATOM 928 N LYS A 64 -10.797 -2.044 -6.930 1.00 0.00 N ATOM 929 CA LYS A 64 -9.820 -2.872 -6.233 1.00 0.00 C ATOM 930 C LYS A 64 -9.868 -2.621 -4.730 1.00 0.00 C ATOM 931 O LYS A 64 -9.333 -3.402 -3.943 1.00 0.00 O ATOM 932 CB LYS A 64 -8.412 -2.590 -6.763 1.00 0.00 C ATOM 933 CG LYS A 64 -8.196 -3.052 -8.194 1.00 0.00 C ATOM 934 CD LYS A 64 -6.757 -2.847 -8.635 1.00 0.00 C ATOM 935 CE LYS A 64 -6.469 -3.560 -9.947 1.00 0.00 C ATOM 936 NZ LYS A 64 -6.107 -4.989 -9.734 1.00 0.00 N ATOM 0 H LYS A 64 -10.408 -1.203 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.069 -3.917 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.218 -1.519 -6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.685 -3.082 -6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.457 -4.107 -8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.863 -2.503 -8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.558 -1.781 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.083 -3.217 -7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.345 -3.500 -10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.655 -3.053 -10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.918 -5.440 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.256 -5.047 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.893 -5.480 -9.263 1.00 0.00 H new ATOM 950 N ARG A 65 -10.514 -1.528 -4.337 1.00 0.00 N ATOM 951 CA ARG A 65 -10.633 -1.175 -2.927 1.00 0.00 C ATOM 952 C ARG A 65 -11.847 -1.851 -2.298 1.00 0.00 C ATOM 953 O ARG A 65 -11.713 -2.685 -1.403 1.00 0.00 O ATOM 954 CB ARG A 65 -10.740 0.343 -2.767 1.00 0.00 C ATOM 955 CG ARG A 65 -11.168 0.779 -1.375 1.00 0.00 C ATOM 956 CD ARG A 65 -11.647 2.222 -1.366 1.00 0.00 C ATOM 957 NE ARG A 65 -11.998 2.674 -0.023 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.503 3.875 0.240 1.00 0.00 C ATOM 959 NH1 ARG A 65 -12.715 4.738 -0.743 1.00 0.00 N ATOM 960 NH2 ARG A 65 -12.796 4.213 1.489 1.00 0.00 N ATOM 0 H ARG A 65 -10.963 -0.871 -4.975 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.738 -1.525 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.775 0.793 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.455 0.727 -3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.965 0.128 -1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.332 0.668 -0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.867 2.865 -1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.514 2.320 -2.020 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.847 2.033 0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.491 4.481 -1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.103 5.659 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.634 3.551 2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.184 5.135 1.690 1.00 0.00 H new ATOM 974 N LYS A 66 -13.033 -1.485 -2.772 1.00 0.00 N ATOM 975 CA LYS A 66 -14.273 -2.055 -2.257 1.00 0.00 C ATOM 976 C LYS A 66 -14.161 -3.570 -2.126 1.00 0.00 C ATOM 977 O LYS A 66 -14.597 -4.149 -1.131 1.00 0.00 O ATOM 978 CB LYS A 66 -15.443 -1.697 -3.176 1.00 0.00 C ATOM 979 CG LYS A 66 -15.411 -2.420 -4.511 1.00 0.00 C ATOM 980 CD LYS A 66 -16.654 -2.126 -5.334 1.00 0.00 C ATOM 981 CE LYS A 66 -17.814 -3.024 -4.933 1.00 0.00 C ATOM 982 NZ LYS A 66 -17.637 -4.415 -5.433 1.00 0.00 N ATOM 0 H LYS A 66 -13.162 -0.796 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.454 -1.634 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.378 -1.931 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.438 -0.622 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.524 -2.118 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.331 -3.494 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.939 -1.082 -5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.433 -2.267 -6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.904 -3.037 -3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.744 -2.613 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.532 -4.935 -5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.358 -4.391 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.897 -4.892 -4.879 1.00 0.00 H new ATOM 996 N GLN A 67 -13.573 -4.206 -3.135 1.00 0.00 N ATOM 997 CA GLN A 67 -13.404 -5.654 -3.130 1.00 0.00 C ATOM 998 C GLN A 67 -12.418 -6.083 -2.049 1.00 0.00 C ATOM 999 O GLN A 67 -12.593 -7.122 -1.412 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.921 -6.136 -4.499 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.547 -5.608 -4.880 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.421 -6.429 -4.285 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -9.590 -5.914 -3.536 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -10.387 -7.715 -4.614 1.00 0.00 N ATOM 0 H GLN A 67 -13.206 -3.741 -3.965 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.371 -6.107 -2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.896 -7.226 -4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.642 -5.830 -5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.453 -5.602 -5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.454 -4.575 -4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.096 -8.101 -5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.652 -8.317 -4.243 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.381 -5.278 -1.848 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.364 -5.576 -0.846 1.00 0.00 C ATOM 1015 C TYR A 68 -10.938 -5.460 0.563 1.00 0.00 C ATOM 1016 O TYR A 68 -10.576 -6.224 1.458 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.171 -4.632 -1.003 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.327 -4.510 0.246 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.582 -5.587 0.712 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.275 -3.320 0.960 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -6.810 -5.482 1.852 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.504 -3.205 2.101 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.774 -4.288 2.543 1.00 0.00 C ATOM 1024 OH TYR A 68 -6.006 -4.178 3.680 1.00 0.00 O ATOM 0 H TYR A 68 -11.222 -4.414 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.029 -6.602 -0.999 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.544 -4.985 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.535 -3.644 -1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.607 -6.522 0.173 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.847 -2.470 0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.238 -6.329 2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.473 -2.272 2.644 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.590 -4.108 4.464 1.00 0.00 H new ATOM 1034 N ASP A 69 -11.835 -4.498 0.752 1.00 0.00 N ATOM 1035 CA ASP A 69 -12.461 -4.281 2.051 1.00 0.00 C ATOM 1036 C ASP A 69 -13.543 -5.324 2.313 1.00 0.00 C ATOM 1037 O ASP A 69 -14.033 -5.454 3.434 1.00 0.00 O ATOM 1038 CB ASP A 69 -13.061 -2.876 2.123 1.00 0.00 C ATOM 1039 CG ASP A 69 -12.073 -1.851 2.643 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -11.006 -1.686 2.017 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -12.367 -1.214 3.676 1.00 0.00 O ATOM 0 H ASP A 69 -12.145 -3.856 0.022 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.693 -4.379 2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.401 -2.578 1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.938 -2.891 2.770 1.00 0.00 H new ATOM 1046 N GLN A 70 -13.911 -6.063 1.271 1.00 0.00 N ATOM 1047 CA GLN A 70 -14.937 -7.093 1.390 1.00 0.00 C ATOM 1048 C GLN A 70 -14.307 -8.468 1.584 1.00 0.00 C ATOM 1049 O GLN A 70 -14.570 -9.148 2.576 1.00 0.00 O ATOM 1050 CB GLN A 70 -15.830 -7.098 0.148 1.00 0.00 C ATOM 1051 CG GLN A 70 -16.952 -6.074 0.201 1.00 0.00 C ATOM 1052 CD GLN A 70 -17.629 -6.020 1.556 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -17.167 -5.333 2.468 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -18.732 -6.746 1.696 1.00 0.00 N ATOM 0 H GLN A 70 -13.515 -5.968 0.336 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.546 -6.866 2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.216 -6.906 -0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.262 -8.091 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.552 -5.089 -0.040 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.693 -6.313 -0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.080 -7.301 0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.231 -6.749 2.585 1.00 0.00 H new ATOM 1063 N PHE A 71 -13.475 -8.872 0.629 1.00 0.00 N ATOM 1064 CA PHE A 71 -12.809 -10.168 0.694 1.00 0.00 C ATOM 1065 C PHE A 71 -11.559 -10.094 1.568 1.00 0.00 C ATOM 1066 O PHE A 71 -11.545 -10.591 2.693 1.00 0.00 O ATOM 1067 CB PHE A 71 -12.435 -10.644 -0.711 1.00 0.00 C ATOM 1068 CG PHE A 71 -13.603 -11.166 -1.497 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -14.411 -10.301 -2.219 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -13.894 -12.520 -1.515 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -15.487 -10.778 -2.944 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -14.968 -13.003 -2.239 1.00 0.00 C ATOM 1073 CZ PHE A 71 -15.766 -12.130 -2.953 1.00 0.00 C ATOM 0 H PHE A 71 -13.246 -8.321 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.501 -10.882 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -11.980 -9.818 -1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -11.681 -11.427 -0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.197 -9.242 -2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -13.275 -13.206 -0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -16.109 -10.094 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -15.183 -14.061 -2.246 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.607 -12.505 -3.517 1.00 0.00 H new ATOM 1083 N GLY A 72 -10.511 -9.469 1.039 1.00 0.00 N ATOM 1084 CA GLY A 72 -9.271 -9.341 1.783 1.00 0.00 C ATOM 1085 C GLY A 72 -8.131 -10.111 1.145 1.00 0.00 C ATOM 1086 O GLY A 72 -8.282 -11.282 0.797 1.00 0.00 O ATOM 0 H GLY A 72 -10.499 -9.049 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.000 -8.288 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.423 -9.699 2.801 1.00 0.00 H new ATOM 1090 N SER A 73 -6.988 -9.451 0.991 1.00 0.00 N ATOM 1091 CA SER A 73 -5.819 -10.079 0.386 1.00 0.00 C ATOM 1092 C SER A 73 -5.509 -11.412 1.060 1.00 0.00 C ATOM 1093 O SER A 73 -5.169 -12.392 0.397 1.00 0.00 O ATOM 1094 CB SER A 73 -4.607 -9.151 0.484 1.00 0.00 C ATOM 1095 OG SER A 73 -3.591 -9.542 -0.424 1.00 0.00 O ATOM 0 H SER A 73 -6.846 -8.482 1.277 1.00 0.00 H new ATOM 0 HA SER A 73 -6.040 -10.266 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.912 -8.126 0.274 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.215 -9.165 1.501 1.00 0.00 H new ATOM 0 HG SER A 73 -2.828 -8.933 -0.343 1.00 0.00 H new ATOM 1101 N GLY A 74 -5.628 -11.441 2.384 1.00 0.00 N ATOM 1102 CA GLY A 74 -5.357 -12.658 3.127 1.00 0.00 C ATOM 1103 C GLY A 74 -6.294 -12.839 4.304 1.00 0.00 C ATOM 1104 O GLY A 74 -7.155 -12.001 4.575 1.00 0.00 O ATOM 0 H GLY A 74 -5.907 -10.643 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.447 -13.515 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.328 -12.640 3.485 1.00 0.00 H new ATOM 1108 N PRO A 75 -6.133 -13.958 5.027 1.00 0.00 N ATOM 1109 CA PRO A 75 -6.964 -14.273 6.192 1.00 0.00 C ATOM 1110 C PRO A 75 -6.679 -13.352 7.374 1.00 0.00 C ATOM 1111 O PRO A 75 -5.526 -13.163 7.761 1.00 0.00 O ATOM 1112 CB PRO A 75 -6.569 -15.713 6.530 1.00 0.00 C ATOM 1113 CG PRO A 75 -5.189 -15.864 5.991 1.00 0.00 C ATOM 1114 CD PRO A 75 -5.128 -15.000 4.761 1.00 0.00 C ATOM 0 HA PRO A 75 -8.026 -14.145 5.982 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.595 -15.889 7.605 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -7.253 -16.429 6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.447 -15.551 6.725 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.977 -16.905 5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.135 -14.574 4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.365 -15.566 3.860 1.00 0.00 H new ATOM 1122 N SER A 76 -7.736 -12.782 7.943 1.00 0.00 N ATOM 1123 CA SER A 76 -7.599 -11.878 9.078 1.00 0.00 C ATOM 1124 C SER A 76 -8.432 -12.361 10.261 1.00 0.00 C ATOM 1125 O SER A 76 -9.126 -11.577 10.908 1.00 0.00 O ATOM 1126 CB SER A 76 -8.024 -10.462 8.684 1.00 0.00 C ATOM 1127 OG SER A 76 -7.278 -9.996 7.574 1.00 0.00 O ATOM 0 H SER A 76 -8.697 -12.931 7.636 1.00 0.00 H new ATOM 0 HA SER A 76 -6.551 -11.865 9.376 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.087 -10.452 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.883 -9.788 9.529 1.00 0.00 H new ATOM 0 HG SER A 76 -7.570 -9.090 7.341 1.00 0.00 H new ATOM 1133 N SER A 77 -8.357 -13.659 10.539 1.00 0.00 N ATOM 1134 CA SER A 77 -9.107 -14.249 11.642 1.00 0.00 C ATOM 1135 C SER A 77 -8.285 -14.235 12.927 1.00 0.00 C ATOM 1136 O SER A 77 -7.090 -14.527 12.916 1.00 0.00 O ATOM 1137 CB SER A 77 -9.515 -15.684 11.299 1.00 0.00 C ATOM 1138 OG SER A 77 -8.378 -16.489 11.043 1.00 0.00 O ATOM 0 H SER A 77 -7.785 -14.322 10.016 1.00 0.00 H new ATOM 0 HA SER A 77 -10.005 -13.651 11.799 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.088 -16.109 12.123 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.167 -15.681 10.425 1.00 0.00 H new ATOM 0 HG SER A 77 -8.665 -17.401 10.828 1.00 0.00 H new ATOM 1144 N GLY A 78 -8.936 -13.893 14.035 1.00 0.00 N ATOM 1145 CA GLY A 78 -8.251 -13.847 15.313 1.00 0.00 C ATOM 1146 C GLY A 78 -9.178 -13.479 16.455 1.00 0.00 C ATOM 1147 O GLY A 78 -10.313 -13.059 16.230 1.00 0.00 O ATOM 0 H GLY A 78 -9.925 -13.647 14.070 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.799 -14.818 15.515 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.439 -13.122 15.260 1.00 0.00 H new TER 1151 GLY A 78