USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0952 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0605 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 29:sc= 0.35 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -22:sc= 1.23 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= -3.45! (180deg=-3.62) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -133:sc= -0.536 (180deg=-1.02) USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= 0.422 (180deg=-0.546) USER MOD Single : A 48 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 153:sc= -0.0184 (180deg=-0.519) USER MOD Single : A 58 ASN : amide:sc= -4.78! C(o=-4.8!,f=-4.5!) USER MOD Single : A 61 THR OG1 : rot 170:sc= -1.79! USER MOD Single : A 67 ASN : amide:sc=-0.00458 X(o=-0.0046,f=-0.13) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 28:sc= 0.332 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.026 -28.630 -0.693 1.00 0.00 N ATOM 2 CA GLY A 1 -5.740 -27.445 0.094 1.00 0.00 C ATOM 3 C GLY A 1 -4.252 -27.198 0.251 1.00 0.00 C ATOM 4 O GLY A 1 -3.439 -27.814 -0.438 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.663 -28.381 -1.477 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.139 -29.015 -1.076 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.482 -29.345 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.201 -26.578 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.194 -27.549 1.080 1.00 0.00 H new ATOM 8 N SER A 2 -3.897 -26.292 1.156 1.00 0.00 N ATOM 9 CA SER A 2 -2.496 -25.961 1.397 1.00 0.00 C ATOM 10 C SER A 2 -2.068 -26.396 2.795 1.00 0.00 C ATOM 11 O SER A 2 -2.901 -26.745 3.631 1.00 0.00 O ATOM 12 CB SER A 2 -2.270 -24.458 1.226 1.00 0.00 C ATOM 13 OG SER A 2 -3.210 -23.711 1.977 1.00 0.00 O ATOM 0 H SER A 2 -4.559 -25.774 1.734 1.00 0.00 H new ATOM 0 HA SER A 2 -1.890 -26.498 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.260 -24.201 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.350 -24.193 0.172 1.00 0.00 H new ATOM 0 HG SER A 2 -3.042 -22.754 1.851 1.00 0.00 H new ATOM 19 N SER A 3 -0.763 -26.371 3.041 1.00 0.00 N ATOM 20 CA SER A 3 -0.221 -26.764 4.337 1.00 0.00 C ATOM 21 C SER A 3 -1.020 -26.135 5.474 1.00 0.00 C ATOM 22 O SER A 3 -1.671 -26.832 6.251 1.00 0.00 O ATOM 23 CB SER A 3 1.250 -26.358 4.445 1.00 0.00 C ATOM 24 OG SER A 3 1.407 -24.963 4.245 1.00 0.00 O ATOM 0 H SER A 3 -0.060 -26.083 2.360 1.00 0.00 H new ATOM 0 HA SER A 3 -0.297 -27.848 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.636 -26.634 5.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.837 -26.904 3.706 1.00 0.00 H new ATOM 0 HG SER A 3 2.355 -24.726 4.320 1.00 0.00 H new ATOM 30 N GLY A 4 -0.966 -24.810 5.565 1.00 0.00 N ATOM 31 CA GLY A 4 -1.687 -24.106 6.609 1.00 0.00 C ATOM 32 C GLY A 4 -0.840 -23.050 7.289 1.00 0.00 C ATOM 33 O GLY A 4 -0.602 -23.117 8.495 1.00 0.00 O ATOM 0 H GLY A 4 -0.435 -24.211 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.573 -23.636 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.034 -24.823 7.353 1.00 0.00 H new ATOM 37 N SER A 5 -0.382 -22.072 6.514 1.00 0.00 N ATOM 38 CA SER A 5 0.451 -20.999 7.049 1.00 0.00 C ATOM 39 C SER A 5 -0.412 -19.849 7.560 1.00 0.00 C ATOM 40 O SER A 5 -1.526 -19.635 7.086 1.00 0.00 O ATOM 41 CB SER A 5 1.415 -20.491 5.976 1.00 0.00 C ATOM 42 OG SER A 5 2.241 -21.538 5.496 1.00 0.00 O ATOM 0 H SER A 5 -0.573 -22.000 5.515 1.00 0.00 H new ATOM 0 HA SER A 5 1.027 -21.398 7.884 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.850 -20.061 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.035 -19.694 6.387 1.00 0.00 H new ATOM 0 HG SER A 5 2.847 -21.188 4.810 1.00 0.00 H new ATOM 48 N SER A 6 0.115 -19.111 8.532 1.00 0.00 N ATOM 49 CA SER A 6 -0.605 -17.983 9.112 1.00 0.00 C ATOM 50 C SER A 6 0.331 -16.801 9.342 1.00 0.00 C ATOM 51 O SER A 6 1.280 -16.890 10.119 1.00 0.00 O ATOM 52 CB SER A 6 -1.262 -18.395 10.431 1.00 0.00 C ATOM 53 OG SER A 6 -0.303 -18.913 11.337 1.00 0.00 O ATOM 0 H SER A 6 1.038 -19.274 8.934 1.00 0.00 H new ATOM 0 HA SER A 6 -1.380 -17.677 8.409 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.761 -17.535 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.029 -19.145 10.240 1.00 0.00 H new ATOM 0 HG SER A 6 0.568 -18.500 11.162 1.00 0.00 H new ATOM 59 N GLY A 7 0.053 -15.692 8.663 1.00 0.00 N ATOM 60 CA GLY A 7 0.879 -14.508 8.806 1.00 0.00 C ATOM 61 C GLY A 7 0.112 -13.231 8.528 1.00 0.00 C ATOM 62 O GLY A 7 0.298 -12.225 9.213 1.00 0.00 O ATOM 0 H GLY A 7 -0.730 -15.593 8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.285 -14.472 9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.727 -14.575 8.124 1.00 0.00 H new ATOM 66 N ASP A 8 -0.749 -13.268 7.518 1.00 0.00 N ATOM 67 CA ASP A 8 -1.546 -12.103 7.149 1.00 0.00 C ATOM 68 C ASP A 8 -2.846 -12.059 7.946 1.00 0.00 C ATOM 69 O ASP A 8 -3.439 -13.089 8.271 1.00 0.00 O ATOM 70 CB ASP A 8 -1.854 -12.123 5.650 1.00 0.00 C ATOM 71 CG ASP A 8 -0.644 -12.499 4.817 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.324 -11.712 4.785 1.00 0.00 O ATOM 73 OD2 ASP A 8 -0.667 -13.583 4.196 1.00 0.00 O ATOM 0 H ASP A 8 -0.914 -14.092 6.940 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.967 -11.209 7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.659 -12.832 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.213 -11.141 5.342 1.00 0.00 H new ATOM 78 N PRO A 9 -3.301 -10.841 8.272 1.00 0.00 N ATOM 79 CA PRO A 9 -4.533 -10.632 9.035 1.00 0.00 C ATOM 80 C PRO A 9 -5.779 -10.989 8.234 1.00 0.00 C ATOM 81 O PRO A 9 -5.726 -11.216 7.025 1.00 0.00 O ATOM 82 CB PRO A 9 -4.509 -9.134 9.349 1.00 0.00 C ATOM 83 CG PRO A 9 -3.678 -8.536 8.268 1.00 0.00 C ATOM 84 CD PRO A 9 -2.645 -9.570 7.918 1.00 0.00 C ATOM 0 HA PRO A 9 -4.574 -11.265 9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.515 -8.714 9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.079 -8.942 10.332 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.288 -8.285 7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.207 -7.612 8.604 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.383 -9.534 6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.723 -9.423 8.480 1.00 0.00 H new ATOM 92 N PRO A 10 -6.931 -11.041 8.919 1.00 0.00 N ATOM 93 CA PRO A 10 -8.214 -11.369 8.289 1.00 0.00 C ATOM 94 C PRO A 10 -8.703 -10.262 7.360 1.00 0.00 C ATOM 95 O PRO A 10 -9.541 -10.497 6.490 1.00 0.00 O ATOM 96 CB PRO A 10 -9.164 -11.526 9.479 1.00 0.00 C ATOM 97 CG PRO A 10 -8.559 -10.697 10.559 1.00 0.00 C ATOM 98 CD PRO A 10 -7.070 -10.783 10.362 1.00 0.00 C ATOM 0 HA PRO A 10 -8.144 -12.257 7.661 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.168 -11.182 9.232 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.250 -12.570 9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.902 -9.664 10.497 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.845 -11.069 11.543 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.572 -9.859 10.655 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.631 -11.584 10.957 1.00 0.00 H new ATOM 106 N TRP A 11 -8.173 -9.060 7.549 1.00 0.00 N ATOM 107 CA TRP A 11 -8.555 -7.918 6.728 1.00 0.00 C ATOM 108 C TRP A 11 -7.650 -7.798 5.506 1.00 0.00 C ATOM 109 O TRP A 11 -8.007 -7.159 4.518 1.00 0.00 O ATOM 110 CB TRP A 11 -8.497 -6.629 7.549 1.00 0.00 C ATOM 111 CG TRP A 11 -7.135 -6.338 8.102 1.00 0.00 C ATOM 112 CD1 TRP A 11 -6.720 -6.507 9.390 1.00 0.00 C ATOM 113 CD2 TRP A 11 -6.011 -5.824 7.379 1.00 0.00 C ATOM 114 NE1 TRP A 11 -5.405 -6.129 9.514 1.00 0.00 N ATOM 115 CE2 TRP A 11 -4.947 -5.706 8.295 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.799 -5.451 6.050 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -3.692 -5.232 7.921 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -4.552 -4.982 5.680 1.00 0.00 C ATOM 119 CH2 TRP A 11 -3.511 -4.876 6.612 1.00 0.00 C ATOM 0 H TRP A 11 -7.477 -8.851 8.264 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.578 -8.076 6.386 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.814 -5.794 6.924 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.208 -6.699 8.372 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.335 -6.883 10.194 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.858 -6.159 10.375 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.595 -5.528 5.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.890 -5.148 8.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.377 -4.692 4.654 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.548 -4.507 6.291 1.00 0.00 H new ATOM 130 N ALA A 12 -6.476 -8.417 5.584 1.00 0.00 N ATOM 131 CA ALA A 12 -5.521 -8.381 4.483 1.00 0.00 C ATOM 132 C ALA A 12 -6.007 -9.218 3.306 1.00 0.00 C ATOM 133 O ALA A 12 -6.696 -10.225 3.471 1.00 0.00 O ATOM 134 CB ALA A 12 -4.157 -8.867 4.951 1.00 0.00 C ATOM 0 H ALA A 12 -6.164 -8.948 6.397 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.431 -7.348 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.454 -8.835 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.798 -8.224 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.241 -9.891 5.316 1.00 0.00 H new ATOM 140 N PRO A 13 -5.642 -8.795 2.086 1.00 0.00 N ATOM 141 CA PRO A 13 -6.030 -9.492 0.857 1.00 0.00 C ATOM 142 C PRO A 13 -5.329 -10.838 0.707 1.00 0.00 C ATOM 143 O PRO A 13 -4.118 -10.941 0.899 1.00 0.00 O ATOM 144 CB PRO A 13 -5.589 -8.533 -0.251 1.00 0.00 C ATOM 145 CG PRO A 13 -4.483 -7.739 0.355 1.00 0.00 C ATOM 146 CD PRO A 13 -4.821 -7.602 1.814 1.00 0.00 C ATOM 0 HA PRO A 13 -7.095 -9.723 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.250 -9.076 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.410 -7.890 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.525 -8.241 0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.399 -6.761 -0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.925 -7.581 2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.370 -6.682 2.015 1.00 0.00 H new ATOM 154 N ARG A 14 -6.098 -11.866 0.362 1.00 0.00 N ATOM 155 CA ARG A 14 -5.549 -13.206 0.187 1.00 0.00 C ATOM 156 C ARG A 14 -4.229 -13.156 -0.578 1.00 0.00 C ATOM 157 O ARG A 14 -3.251 -13.795 -0.192 1.00 0.00 O ATOM 158 CB ARG A 14 -6.548 -14.096 -0.553 1.00 0.00 C ATOM 159 CG ARG A 14 -7.835 -14.337 0.218 1.00 0.00 C ATOM 160 CD ARG A 14 -8.775 -15.261 -0.543 1.00 0.00 C ATOM 161 NE ARG A 14 -10.120 -15.264 0.028 1.00 0.00 N ATOM 162 CZ ARG A 14 -10.998 -14.285 -0.156 1.00 0.00 C ATOM 163 NH1 ARG A 14 -10.676 -13.228 -0.889 1.00 0.00 N ATOM 164 NH2 ARG A 14 -12.202 -14.361 0.397 1.00 0.00 N ATOM 0 H ARG A 14 -7.102 -11.797 0.198 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.361 -13.628 1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.789 -13.638 -1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.078 -15.056 -0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.602 -14.773 1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.332 -13.385 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.825 -14.949 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.374 -16.275 -0.532 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.400 -16.062 0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.751 -13.165 -1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.353 -12.478 -1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.453 -15.171 0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.876 -13.609 0.256 1.00 0.00 H new ATOM 178 N SER A 15 -4.211 -12.394 -1.667 1.00 0.00 N ATOM 179 CA SER A 15 -3.015 -12.266 -2.490 1.00 0.00 C ATOM 180 C SER A 15 -2.909 -10.862 -3.080 1.00 0.00 C ATOM 181 O SER A 15 -3.916 -10.247 -3.430 1.00 0.00 O ATOM 182 CB SER A 15 -3.027 -13.304 -3.614 1.00 0.00 C ATOM 183 OG SER A 15 -4.238 -13.244 -4.348 1.00 0.00 O ATOM 0 H SER A 15 -5.011 -11.856 -1.999 1.00 0.00 H new ATOM 0 HA SER A 15 -2.147 -12.441 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.184 -13.131 -4.282 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.901 -14.302 -3.194 1.00 0.00 H new ATOM 0 HG SER A 15 -4.222 -13.915 -5.062 1.00 0.00 H new ATOM 189 N TYR A 16 -1.683 -10.363 -3.189 1.00 0.00 N ATOM 190 CA TYR A 16 -1.445 -9.031 -3.733 1.00 0.00 C ATOM 191 C TYR A 16 -0.293 -9.051 -4.733 1.00 0.00 C ATOM 192 O TYR A 16 0.370 -10.073 -4.916 1.00 0.00 O ATOM 193 CB TYR A 16 -1.142 -8.042 -2.608 1.00 0.00 C ATOM 194 CG TYR A 16 -0.169 -8.576 -1.579 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.203 -8.457 -1.765 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.622 -9.197 -0.422 1.00 0.00 C ATOM 197 CE1 TYR A 16 2.095 -8.943 -0.829 1.00 0.00 C ATOM 198 CE2 TYR A 16 0.263 -9.685 0.520 1.00 0.00 C ATOM 199 CZ TYR A 16 1.620 -9.556 0.312 1.00 0.00 C ATOM 200 OH TYR A 16 2.506 -10.040 1.247 1.00 0.00 O ATOM 0 H TYR A 16 -0.838 -10.861 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.349 -8.712 -4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.736 -7.127 -3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.074 -7.774 -2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.578 -7.976 -2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.684 -9.300 -0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.158 -8.844 -0.989 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.106 -10.165 1.414 1.00 0.00 H new ATOM 0 HH TYR A 16 2.010 -10.441 1.991 1.00 0.00 H new ATOM 210 N LEU A 17 -0.058 -7.913 -5.377 1.00 0.00 N ATOM 211 CA LEU A 17 1.016 -7.796 -6.358 1.00 0.00 C ATOM 212 C LEU A 17 2.371 -7.679 -5.671 1.00 0.00 C ATOM 213 O LEU A 17 3.275 -8.476 -5.922 1.00 0.00 O ATOM 214 CB LEU A 17 0.780 -6.581 -7.258 1.00 0.00 C ATOM 215 CG LEU A 17 -0.163 -6.796 -8.443 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.735 -5.469 -8.918 1.00 0.00 C ATOM 217 CD2 LEU A 17 0.562 -7.503 -9.579 1.00 0.00 C ATOM 0 H LEU A 17 -0.597 -7.058 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 17 1.017 -8.699 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.382 -5.772 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.743 -6.246 -7.642 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.989 -7.428 -8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.403 -5.642 -9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.290 -5.000 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.078 -4.812 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.124 -7.648 -10.414 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.407 -6.896 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.923 -8.472 -9.233 1.00 0.00 H new ATOM 229 N GLU A 18 2.504 -6.683 -4.801 1.00 0.00 N ATOM 230 CA GLU A 18 3.750 -6.464 -4.076 1.00 0.00 C ATOM 231 C GLU A 18 3.492 -5.737 -2.759 1.00 0.00 C ATOM 232 O GLU A 18 2.393 -5.237 -2.516 1.00 0.00 O ATOM 233 CB GLU A 18 4.729 -5.658 -4.933 1.00 0.00 C ATOM 234 CG GLU A 18 4.187 -4.307 -5.369 1.00 0.00 C ATOM 235 CD GLU A 18 5.209 -3.487 -6.133 1.00 0.00 C ATOM 236 OE1 GLU A 18 5.263 -3.618 -7.375 1.00 0.00 O ATOM 237 OE2 GLU A 18 5.952 -2.716 -5.492 1.00 0.00 O ATOM 0 H GLU A 18 1.765 -6.015 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 18 4.188 -7.437 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.651 -5.506 -4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.987 -6.239 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.307 -4.457 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.863 -3.749 -4.491 1.00 0.00 H new ATOM 244 N LYS A 19 4.514 -5.684 -1.910 1.00 0.00 N ATOM 245 CA LYS A 19 4.400 -5.020 -0.617 1.00 0.00 C ATOM 246 C LYS A 19 5.226 -3.737 -0.592 1.00 0.00 C ATOM 247 O LYS A 19 6.321 -3.678 -1.151 1.00 0.00 O ATOM 248 CB LYS A 19 4.861 -5.956 0.502 1.00 0.00 C ATOM 249 CG LYS A 19 4.875 -5.304 1.874 1.00 0.00 C ATOM 250 CD LYS A 19 5.613 -6.158 2.890 1.00 0.00 C ATOM 251 CE LYS A 19 5.076 -5.939 4.296 1.00 0.00 C ATOM 252 NZ LYS A 19 5.843 -6.715 5.310 1.00 0.00 N ATOM 0 H LYS A 19 5.430 -6.093 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 19 3.353 -4.762 -0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.205 -6.826 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.863 -6.319 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.349 -4.325 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.851 -5.140 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.516 -7.210 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.676 -5.919 2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.121 -4.878 4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.026 -6.231 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.446 -6.539 6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.779 -7.730 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.840 -6.419 5.292 1.00 0.00 H new ATOM 266 N VAL A 20 4.692 -2.709 0.062 1.00 0.00 N ATOM 267 CA VAL A 20 5.378 -1.427 0.163 1.00 0.00 C ATOM 268 C VAL A 20 5.200 -0.815 1.547 1.00 0.00 C ATOM 269 O VAL A 20 4.172 -1.011 2.197 1.00 0.00 O ATOM 270 CB VAL A 20 4.867 -0.431 -0.896 1.00 0.00 C ATOM 271 CG1 VAL A 20 5.232 -0.906 -2.294 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.364 -0.239 -0.763 1.00 0.00 C ATOM 0 H VAL A 20 3.786 -2.740 0.530 1.00 0.00 H new ATOM 0 HA VAL A 20 6.436 -1.621 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 20 5.349 0.532 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.863 -0.191 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.316 -0.988 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.779 -1.880 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.019 0.467 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.861 -1.196 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.133 0.149 0.229 1.00 0.00 H new ATOM 282 N VAL A 21 6.208 -0.073 1.995 1.00 0.00 N ATOM 283 CA VAL A 21 6.161 0.569 3.303 1.00 0.00 C ATOM 284 C VAL A 21 6.104 2.087 3.169 1.00 0.00 C ATOM 285 O VAL A 21 6.883 2.685 2.424 1.00 0.00 O ATOM 286 CB VAL A 21 7.384 0.186 4.159 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.651 0.800 3.585 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.178 0.621 5.604 1.00 0.00 C ATOM 0 H VAL A 21 7.067 0.098 1.472 1.00 0.00 H new ATOM 0 HA VAL A 21 5.255 0.217 3.797 1.00 0.00 H new ATOM 0 HB VAL A 21 7.494 -0.898 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.504 0.519 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.803 0.437 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.555 1.886 3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.050 0.343 6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.042 1.702 5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.294 0.130 6.009 1.00 0.00 H new ATOM 298 N ALA A 22 5.178 2.705 3.894 1.00 0.00 N ATOM 299 CA ALA A 22 5.021 4.154 3.856 1.00 0.00 C ATOM 300 C ALA A 22 6.170 4.850 4.581 1.00 0.00 C ATOM 301 O ALA A 22 6.175 4.944 5.808 1.00 0.00 O ATOM 302 CB ALA A 22 3.688 4.556 4.470 1.00 0.00 C ATOM 0 H ALA A 22 4.525 2.226 4.514 1.00 0.00 H new ATOM 0 HA ALA A 22 5.039 4.470 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.584 5.640 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.875 4.095 3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.649 4.221 5.506 1.00 0.00 H new ATOM 308 N ILE A 23 7.139 5.335 3.813 1.00 0.00 N ATOM 309 CA ILE A 23 8.291 6.021 4.383 1.00 0.00 C ATOM 310 C ILE A 23 7.911 7.408 4.890 1.00 0.00 C ATOM 311 O ILE A 23 8.660 8.034 5.639 1.00 0.00 O ATOM 312 CB ILE A 23 9.430 6.158 3.355 1.00 0.00 C ATOM 313 CG1 ILE A 23 8.929 6.873 2.098 1.00 0.00 C ATOM 314 CG2 ILE A 23 9.993 4.790 3.003 1.00 0.00 C ATOM 315 CD1 ILE A 23 10.035 7.492 1.272 1.00 0.00 C ATOM 0 H ILE A 23 7.149 5.266 2.795 1.00 0.00 H new ATOM 0 HA ILE A 23 8.637 5.413 5.219 1.00 0.00 H new ATOM 0 HB ILE A 23 10.228 6.755 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.380 6.162 1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.225 7.652 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.797 4.904 2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.383 4.314 3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.204 4.170 2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.606 7.981 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.570 8.227 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.727 6.714 0.950 1.00 0.00 H new ATOM 327 N TYR A 24 6.739 7.881 4.478 1.00 0.00 N ATOM 328 CA TYR A 24 6.258 9.194 4.889 1.00 0.00 C ATOM 329 C TYR A 24 4.746 9.178 5.099 1.00 0.00 C ATOM 330 O TYR A 24 4.038 8.346 4.533 1.00 0.00 O ATOM 331 CB TYR A 24 6.628 10.247 3.845 1.00 0.00 C ATOM 332 CG TYR A 24 8.112 10.318 3.556 1.00 0.00 C ATOM 333 CD1 TYR A 24 9.032 10.478 4.585 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.592 10.229 2.256 1.00 0.00 C ATOM 335 CE1 TYR A 24 10.387 10.544 4.328 1.00 0.00 C ATOM 336 CE2 TYR A 24 9.946 10.293 1.989 1.00 0.00 C ATOM 337 CZ TYR A 24 10.839 10.451 3.029 1.00 0.00 C ATOM 338 OH TYR A 24 12.189 10.516 2.766 1.00 0.00 O ATOM 0 H TYR A 24 6.105 7.374 3.860 1.00 0.00 H new ATOM 0 HA TYR A 24 6.736 9.448 5.835 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.096 10.031 2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.286 11.223 4.189 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.681 10.552 5.604 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.895 10.108 1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.089 10.668 5.140 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.303 10.220 0.972 1.00 0.00 H new ATOM 0 HH TYR A 24 12.339 10.433 1.801 1.00 0.00 H new ATOM 348 N ASP A 25 4.259 10.107 5.914 1.00 0.00 N ATOM 349 CA ASP A 25 2.833 10.204 6.197 1.00 0.00 C ATOM 350 C ASP A 25 2.076 10.760 4.996 1.00 0.00 C ATOM 351 O ASP A 25 2.671 11.343 4.090 1.00 0.00 O ATOM 352 CB ASP A 25 2.593 11.090 7.421 1.00 0.00 C ATOM 353 CG ASP A 25 2.890 12.551 7.146 1.00 0.00 C ATOM 354 OD1 ASP A 25 4.020 12.855 6.712 1.00 0.00 O ATOM 355 OD2 ASP A 25 1.990 13.390 7.361 1.00 0.00 O ATOM 0 H ASP A 25 4.832 10.804 6.390 1.00 0.00 H new ATOM 0 HA ASP A 25 2.461 9.201 6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.557 10.987 7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.218 10.744 8.244 1.00 0.00 H new ATOM 360 N TYR A 26 0.761 10.572 4.993 1.00 0.00 N ATOM 361 CA TYR A 26 -0.077 11.051 3.900 1.00 0.00 C ATOM 362 C TYR A 26 -1.556 10.955 4.264 1.00 0.00 C ATOM 363 O TYR A 26 -2.025 9.922 4.742 1.00 0.00 O ATOM 364 CB TYR A 26 0.200 10.248 2.628 1.00 0.00 C ATOM 365 CG TYR A 26 -0.902 10.351 1.597 1.00 0.00 C ATOM 366 CD1 TYR A 26 -2.058 9.588 1.709 1.00 0.00 C ATOM 367 CD2 TYR A 26 -0.786 11.207 0.509 1.00 0.00 C ATOM 368 CE1 TYR A 26 -3.067 9.677 0.769 1.00 0.00 C ATOM 369 CE2 TYR A 26 -1.789 11.303 -0.435 1.00 0.00 C ATOM 370 CZ TYR A 26 -2.928 10.537 -0.300 1.00 0.00 C ATOM 371 OH TYR A 26 -3.930 10.629 -1.239 1.00 0.00 O ATOM 0 H TYR A 26 0.252 10.091 5.735 1.00 0.00 H new ATOM 0 HA TYR A 26 0.167 12.098 3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.134 10.594 2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.342 9.200 2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.170 8.914 2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.105 11.808 0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.959 9.077 0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.682 11.974 -1.274 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.476 9.815 -1.216 1.00 0.00 H new ATOM 381 N THR A 27 -2.287 12.042 4.036 1.00 0.00 N ATOM 382 CA THR A 27 -3.712 12.083 4.340 1.00 0.00 C ATOM 383 C THR A 27 -4.545 12.110 3.063 1.00 0.00 C ATOM 384 O THR A 27 -4.276 12.893 2.151 1.00 0.00 O ATOM 385 CB THR A 27 -4.068 13.310 5.198 1.00 0.00 C ATOM 386 OG1 THR A 27 -3.165 13.411 6.307 1.00 0.00 O ATOM 387 CG2 THR A 27 -5.497 13.215 5.711 1.00 0.00 C ATOM 0 H THR A 27 -1.915 12.906 3.642 1.00 0.00 H new ATOM 0 HA THR A 27 -3.942 11.178 4.902 1.00 0.00 H new ATOM 0 HB THR A 27 -3.980 14.200 4.574 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.397 14.195 6.847 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.726 14.093 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.184 13.166 4.866 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.606 12.318 6.320 1.00 0.00 H new ATOM 395 N LYS A 28 -5.559 11.253 3.006 1.00 0.00 N ATOM 396 CA LYS A 28 -6.434 11.180 1.843 1.00 0.00 C ATOM 397 C LYS A 28 -7.198 12.487 1.652 1.00 0.00 C ATOM 398 O LYS A 28 -7.264 13.315 2.561 1.00 0.00 O ATOM 399 CB LYS A 28 -7.420 10.019 1.991 1.00 0.00 C ATOM 400 CG LYS A 28 -8.084 9.958 3.357 1.00 0.00 C ATOM 401 CD LYS A 28 -9.380 9.164 3.311 1.00 0.00 C ATOM 402 CE LYS A 28 -10.569 10.058 2.992 1.00 0.00 C ATOM 403 NZ LYS A 28 -10.237 11.072 1.954 1.00 0.00 N ATOM 0 H LYS A 28 -5.795 10.599 3.753 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.812 11.011 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.190 10.107 1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.895 9.081 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.402 9.502 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.288 10.969 3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.301 8.379 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.541 8.671 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.402 9.445 2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.898 10.562 3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.106 11.559 1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.569 11.765 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.804 10.601 1.134 1.00 0.00 H new ATOM 417 N ASP A 29 -7.771 12.665 0.467 1.00 0.00 N ATOM 418 CA ASP A 29 -8.531 13.872 0.159 1.00 0.00 C ATOM 419 C ASP A 29 -9.903 13.520 -0.407 1.00 0.00 C ATOM 420 O ASP A 29 -10.736 14.396 -0.636 1.00 0.00 O ATOM 421 CB ASP A 29 -7.763 14.744 -0.834 1.00 0.00 C ATOM 422 CG ASP A 29 -8.247 16.181 -0.836 1.00 0.00 C ATOM 423 OD1 ASP A 29 -7.795 16.961 0.028 1.00 0.00 O ATOM 424 OD2 ASP A 29 -9.075 16.527 -1.704 1.00 0.00 O ATOM 0 H ASP A 29 -7.724 11.990 -0.296 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.673 14.429 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.701 14.721 -0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.867 14.327 -1.836 1.00 0.00 H new ATOM 429 N LYS A 30 -10.131 12.229 -0.635 1.00 0.00 N ATOM 430 CA LYS A 30 -11.400 11.759 -1.174 1.00 0.00 C ATOM 431 C LYS A 30 -11.753 10.386 -0.615 1.00 0.00 C ATOM 432 O LYS A 30 -10.879 9.542 -0.417 1.00 0.00 O ATOM 433 CB LYS A 30 -11.338 11.700 -2.702 1.00 0.00 C ATOM 434 CG LYS A 30 -10.137 10.935 -3.231 1.00 0.00 C ATOM 435 CD LYS A 30 -10.400 10.377 -4.620 1.00 0.00 C ATOM 436 CE LYS A 30 -9.991 11.361 -5.704 1.00 0.00 C ATOM 437 NZ LYS A 30 -8.547 11.242 -6.045 1.00 0.00 N ATOM 0 H LYS A 30 -9.451 11.490 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.176 12.463 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.249 11.234 -3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.314 12.716 -3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.269 11.594 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.895 10.119 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.851 9.444 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.459 10.140 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.591 11.187 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.203 12.377 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.308 11.930 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.974 11.433 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.349 10.280 -6.387 1.00 0.00 H new ATOM 451 N GLU A 31 -13.041 10.166 -0.367 1.00 0.00 N ATOM 452 CA GLU A 31 -13.509 8.892 0.169 1.00 0.00 C ATOM 453 C GLU A 31 -12.896 7.723 -0.597 1.00 0.00 C ATOM 454 O GLU A 31 -12.794 6.612 -0.076 1.00 0.00 O ATOM 455 CB GLU A 31 -15.036 8.817 0.103 1.00 0.00 C ATOM 456 CG GLU A 31 -15.595 9.011 -1.297 1.00 0.00 C ATOM 457 CD GLU A 31 -17.101 8.844 -1.352 1.00 0.00 C ATOM 458 OE1 GLU A 31 -17.581 7.714 -1.122 1.00 0.00 O ATOM 459 OE2 GLU A 31 -17.799 9.842 -1.624 1.00 0.00 O ATOM 0 H GLU A 31 -13.778 10.852 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.195 8.826 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.361 7.849 0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.457 9.576 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.330 10.006 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.129 8.294 -1.973 1.00 0.00 H new ATOM 466 N ASP A 32 -12.492 7.981 -1.835 1.00 0.00 N ATOM 467 CA ASP A 32 -11.890 6.951 -2.674 1.00 0.00 C ATOM 468 C ASP A 32 -10.369 6.976 -2.556 1.00 0.00 C ATOM 469 O ASP A 32 -9.658 6.946 -3.560 1.00 0.00 O ATOM 470 CB ASP A 32 -12.304 7.144 -4.133 1.00 0.00 C ATOM 471 CG ASP A 32 -13.794 6.958 -4.341 1.00 0.00 C ATOM 472 OD1 ASP A 32 -14.253 5.797 -4.337 1.00 0.00 O ATOM 473 OD2 ASP A 32 -14.501 7.973 -4.508 1.00 0.00 O ATOM 0 H ASP A 32 -12.570 8.895 -2.281 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.248 5.981 -2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.016 8.143 -4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.761 6.435 -4.758 1.00 0.00 H new ATOM 478 N GLU A 33 -9.876 7.033 -1.322 1.00 0.00 N ATOM 479 CA GLU A 33 -8.439 7.065 -1.074 1.00 0.00 C ATOM 480 C GLU A 33 -8.091 6.308 0.205 1.00 0.00 C ATOM 481 O GLU A 33 -8.969 5.768 0.878 1.00 0.00 O ATOM 482 CB GLU A 33 -7.947 8.510 -0.976 1.00 0.00 C ATOM 483 CG GLU A 33 -7.619 9.133 -2.322 1.00 0.00 C ATOM 484 CD GLU A 33 -6.183 8.893 -2.742 1.00 0.00 C ATOM 485 OE1 GLU A 33 -5.354 8.574 -1.863 1.00 0.00 O ATOM 486 OE2 GLU A 33 -5.886 9.025 -3.948 1.00 0.00 O ATOM 0 H GLU A 33 -10.450 7.058 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.941 6.577 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.710 9.112 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.059 8.541 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.288 8.725 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.806 10.206 -2.277 1.00 0.00 H new ATOM 493 N LEU A 34 -6.805 6.276 0.534 1.00 0.00 N ATOM 494 CA LEU A 34 -6.338 5.587 1.732 1.00 0.00 C ATOM 495 C LEU A 34 -5.498 6.516 2.602 1.00 0.00 C ATOM 496 O LEU A 34 -4.851 7.435 2.101 1.00 0.00 O ATOM 497 CB LEU A 34 -5.522 4.351 1.348 1.00 0.00 C ATOM 498 CG LEU A 34 -5.498 3.217 2.374 1.00 0.00 C ATOM 499 CD1 LEU A 34 -5.335 1.874 1.682 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.382 3.438 3.386 1.00 0.00 C ATOM 0 H LEU A 34 -6.066 6.719 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.211 5.274 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.915 3.958 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.495 4.663 1.157 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.449 3.214 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.320 1.080 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.168 1.714 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.399 1.864 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.379 2.622 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.423 3.468 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.544 4.382 3.906 1.00 0.00 H new ATOM 512 N SER A 35 -5.511 6.268 3.907 1.00 0.00 N ATOM 513 CA SER A 35 -4.752 7.083 4.849 1.00 0.00 C ATOM 514 C SER A 35 -3.756 6.228 5.627 1.00 0.00 C ATOM 515 O SER A 35 -4.131 5.248 6.271 1.00 0.00 O ATOM 516 CB SER A 35 -5.697 7.795 5.817 1.00 0.00 C ATOM 517 OG SER A 35 -6.818 6.984 6.127 1.00 0.00 O ATOM 0 H SER A 35 -6.039 5.509 4.337 1.00 0.00 H new ATOM 0 HA SER A 35 -4.197 7.829 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.162 8.047 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.034 8.733 5.377 1.00 0.00 H new ATOM 0 HG SER A 35 -7.406 7.462 6.749 1.00 0.00 H new ATOM 523 N PHE A 36 -2.483 6.607 5.562 1.00 0.00 N ATOM 524 CA PHE A 36 -1.432 5.876 6.261 1.00 0.00 C ATOM 525 C PHE A 36 -0.405 6.835 6.854 1.00 0.00 C ATOM 526 O PHE A 36 -0.205 7.938 6.347 1.00 0.00 O ATOM 527 CB PHE A 36 -0.742 4.899 5.306 1.00 0.00 C ATOM 528 CG PHE A 36 -0.289 5.533 4.023 1.00 0.00 C ATOM 529 CD1 PHE A 36 0.924 6.200 3.955 1.00 0.00 C ATOM 530 CD2 PHE A 36 -1.075 5.463 2.884 1.00 0.00 C ATOM 531 CE1 PHE A 36 1.343 6.786 2.775 1.00 0.00 C ATOM 532 CE2 PHE A 36 -0.661 6.046 1.701 1.00 0.00 C ATOM 533 CZ PHE A 36 0.550 6.708 1.647 1.00 0.00 C ATOM 0 H PHE A 36 -2.155 7.415 5.033 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.892 5.316 7.075 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.120 4.460 5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.427 4.083 5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.549 6.263 4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.023 4.947 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.290 7.304 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.283 5.984 0.821 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.876 7.164 0.724 1.00 0.00 H new ATOM 543 N GLN A 37 0.242 6.406 7.932 1.00 0.00 N ATOM 544 CA GLN A 37 1.248 7.226 8.597 1.00 0.00 C ATOM 545 C GLN A 37 2.644 6.645 8.398 1.00 0.00 C ATOM 546 O GLN A 37 2.794 5.493 7.991 1.00 0.00 O ATOM 547 CB GLN A 37 0.938 7.341 10.091 1.00 0.00 C ATOM 548 CG GLN A 37 -0.180 8.321 10.408 1.00 0.00 C ATOM 549 CD GLN A 37 -0.505 8.376 11.887 1.00 0.00 C ATOM 550 OE1 GLN A 37 0.280 7.933 12.725 1.00 0.00 O ATOM 551 NE2 GLN A 37 -1.670 8.922 12.217 1.00 0.00 N ATOM 0 H GLN A 37 0.088 5.495 8.364 1.00 0.00 H new ATOM 0 HA GLN A 37 1.222 8.220 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.667 6.357 10.474 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.841 7.650 10.618 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.106 9.316 10.065 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.075 8.038 9.854 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.291 9.277 11.490 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.944 8.986 13.198 1.00 0.00 H new ATOM 560 N GLU A 38 3.661 7.451 8.685 1.00 0.00 N ATOM 561 CA GLU A 38 5.045 7.015 8.535 1.00 0.00 C ATOM 562 C GLU A 38 5.285 5.702 9.274 1.00 0.00 C ATOM 563 O GLU A 38 5.318 5.666 10.504 1.00 0.00 O ATOM 564 CB GLU A 38 6.001 8.089 9.060 1.00 0.00 C ATOM 565 CG GLU A 38 7.465 7.785 8.791 1.00 0.00 C ATOM 566 CD GLU A 38 8.400 8.753 9.490 1.00 0.00 C ATOM 567 OE1 GLU A 38 8.624 9.855 8.950 1.00 0.00 O ATOM 568 OE2 GLU A 38 8.907 8.407 10.578 1.00 0.00 O ATOM 0 H GLU A 38 3.553 8.408 9.022 1.00 0.00 H new ATOM 0 HA GLU A 38 5.235 6.855 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.747 9.045 8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.853 8.201 10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.688 6.770 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.648 7.820 7.717 1.00 0.00 H new ATOM 575 N GLY A 39 5.452 4.624 8.514 1.00 0.00 N ATOM 576 CA GLY A 39 5.686 3.322 9.113 1.00 0.00 C ATOM 577 C GLY A 39 4.463 2.427 9.051 1.00 0.00 C ATOM 578 O GLY A 39 4.166 1.706 10.003 1.00 0.00 O ATOM 0 H GLY A 39 5.430 4.629 7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.516 2.834 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.985 3.452 10.153 1.00 0.00 H new ATOM 582 N ALA A 40 3.753 2.477 7.930 1.00 0.00 N ATOM 583 CA ALA A 40 2.556 1.664 7.748 1.00 0.00 C ATOM 584 C ALA A 40 2.802 0.541 6.745 1.00 0.00 C ATOM 585 O ALA A 40 3.675 0.647 5.883 1.00 0.00 O ATOM 586 CB ALA A 40 1.391 2.532 7.295 1.00 0.00 C ATOM 0 H ALA A 40 3.985 3.071 7.134 1.00 0.00 H new ATOM 0 HA ALA A 40 2.306 1.211 8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.505 1.911 7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.191 3.295 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.641 3.012 6.349 1.00 0.00 H new ATOM 592 N ILE A 41 2.028 -0.533 6.866 1.00 0.00 N ATOM 593 CA ILE A 41 2.162 -1.673 5.968 1.00 0.00 C ATOM 594 C ILE A 41 0.994 -1.746 4.992 1.00 0.00 C ATOM 595 O ILE A 41 -0.140 -2.026 5.384 1.00 0.00 O ATOM 596 CB ILE A 41 2.246 -2.997 6.752 1.00 0.00 C ATOM 597 CG1 ILE A 41 3.405 -2.954 7.749 1.00 0.00 C ATOM 598 CG2 ILE A 41 2.407 -4.169 5.795 1.00 0.00 C ATOM 599 CD1 ILE A 41 4.768 -2.947 7.091 1.00 0.00 C ATOM 0 H ILE A 41 1.303 -0.637 7.576 1.00 0.00 H new ATOM 0 HA ILE A 41 3.087 -1.529 5.410 1.00 0.00 H new ATOM 0 HB ILE A 41 1.319 -3.131 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.306 -2.064 8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.335 -3.816 8.413 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.465 -5.097 6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.551 -4.209 5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.320 -4.042 5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.542 -2.916 7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.887 -3.849 6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.858 -2.071 6.449 1.00 0.00 H new ATOM 611 N ILE A 42 1.278 -1.493 3.718 1.00 0.00 N ATOM 612 CA ILE A 42 0.250 -1.534 2.685 1.00 0.00 C ATOM 613 C ILE A 42 0.544 -2.622 1.659 1.00 0.00 C ATOM 614 O ILE A 42 1.697 -2.845 1.287 1.00 0.00 O ATOM 615 CB ILE A 42 0.129 -0.179 1.959 1.00 0.00 C ATOM 616 CG1 ILE A 42 -0.367 0.898 2.925 1.00 0.00 C ATOM 617 CG2 ILE A 42 -0.805 -0.301 0.765 1.00 0.00 C ATOM 618 CD1 ILE A 42 -0.158 2.307 2.415 1.00 0.00 C ATOM 0 H ILE A 42 2.210 -1.258 3.377 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.692 -1.756 3.186 1.00 0.00 H new ATOM 0 HB ILE A 42 1.114 0.113 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.429 0.743 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.148 0.785 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.881 0.663 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.412 -1.043 0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.793 -0.611 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.533 3.019 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.905 2.480 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.696 2.438 1.476 1.00 0.00 H new ATOM 630 N TYR A 43 -0.505 -3.299 1.206 1.00 0.00 N ATOM 631 CA TYR A 43 -0.361 -4.365 0.223 1.00 0.00 C ATOM 632 C TYR A 43 -0.826 -3.904 -1.154 1.00 0.00 C ATOM 633 O TYR A 43 -2.019 -3.721 -1.392 1.00 0.00 O ATOM 634 CB TYR A 43 -1.158 -5.597 0.656 1.00 0.00 C ATOM 635 CG TYR A 43 -0.710 -6.172 1.981 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.415 -6.984 2.063 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.412 -5.907 3.149 1.00 0.00 C ATOM 638 CE1 TYR A 43 0.829 -7.513 3.271 1.00 0.00 C ATOM 639 CE2 TYR A 43 -1.006 -6.430 4.361 1.00 0.00 C ATOM 640 CZ TYR A 43 0.114 -7.232 4.417 1.00 0.00 C ATOM 641 OH TYR A 43 0.522 -7.756 5.623 1.00 0.00 O ATOM 0 H TYR A 43 -1.465 -3.128 1.504 1.00 0.00 H new ATOM 0 HA TYR A 43 0.695 -4.626 0.161 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.213 -5.332 0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.070 -6.365 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.976 -7.206 1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.291 -5.281 3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.706 -8.142 3.317 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.563 -6.212 5.260 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.089 -7.462 6.331 1.00 0.00 H new ATOM 651 N VAL A 44 0.129 -3.717 -2.062 1.00 0.00 N ATOM 652 CA VAL A 44 -0.181 -3.280 -3.419 1.00 0.00 C ATOM 653 C VAL A 44 -0.949 -4.353 -4.181 1.00 0.00 C ATOM 654 O VAL A 44 -0.425 -5.438 -4.441 1.00 0.00 O ATOM 655 CB VAL A 44 1.097 -2.924 -4.199 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.797 -2.794 -5.684 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.715 -1.645 -3.656 1.00 0.00 C ATOM 0 H VAL A 44 1.123 -3.861 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.803 -2.389 -3.330 1.00 0.00 H new ATOM 0 HB VAL A 44 1.818 -3.731 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.712 -2.542 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.405 -3.739 -6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.058 -2.008 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.618 -1.409 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.002 -0.826 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.969 -1.781 -2.605 1.00 0.00 H new ATOM 667 N ILE A 45 -2.191 -4.045 -4.538 1.00 0.00 N ATOM 668 CA ILE A 45 -3.029 -4.984 -5.273 1.00 0.00 C ATOM 669 C ILE A 45 -3.418 -4.423 -6.637 1.00 0.00 C ATOM 670 O ILE A 45 -3.823 -5.163 -7.532 1.00 0.00 O ATOM 671 CB ILE A 45 -4.309 -5.328 -4.488 1.00 0.00 C ATOM 672 CG1 ILE A 45 -5.032 -4.049 -4.061 1.00 0.00 C ATOM 673 CG2 ILE A 45 -3.973 -6.185 -3.276 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.521 -4.230 -3.877 1.00 0.00 C ATOM 0 H ILE A 45 -2.639 -3.153 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.441 -5.891 -5.411 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.974 -5.898 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.599 -3.691 -3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.858 -3.276 -4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.888 -6.420 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.499 -7.110 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.292 -5.640 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.968 -3.283 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.966 -4.558 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.704 -4.980 -3.107 1.00 0.00 H new ATOM 686 N LYS A 46 -3.289 -3.109 -6.787 1.00 0.00 N ATOM 687 CA LYS A 46 -3.624 -2.446 -8.043 1.00 0.00 C ATOM 688 C LYS A 46 -2.595 -1.372 -8.382 1.00 0.00 C ATOM 689 O LYS A 46 -2.042 -0.724 -7.492 1.00 0.00 O ATOM 690 CB LYS A 46 -5.019 -1.823 -7.959 1.00 0.00 C ATOM 691 CG LYS A 46 -5.726 -1.729 -9.300 1.00 0.00 C ATOM 692 CD LYS A 46 -5.420 -0.416 -10.000 1.00 0.00 C ATOM 693 CE LYS A 46 -5.707 -0.500 -11.492 1.00 0.00 C ATOM 694 NZ LYS A 46 -4.958 -1.613 -12.138 1.00 0.00 N ATOM 0 H LYS A 46 -2.955 -2.482 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.615 -3.196 -8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.630 -2.413 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.936 -0.824 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.418 -2.561 -9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.802 -1.822 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.017 0.381 -9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.373 -0.154 -9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.776 -0.642 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.438 0.443 -11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.506 -1.268 -13.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.229 -1.965 -11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.615 -2.384 -12.371 1.00 0.00 H new ATOM 708 N LYS A 47 -2.343 -1.188 -9.673 1.00 0.00 N ATOM 709 CA LYS A 47 -1.383 -0.191 -10.131 1.00 0.00 C ATOM 710 C LYS A 47 -1.932 0.588 -11.322 1.00 0.00 C ATOM 711 O LYS A 47 -2.106 0.036 -12.408 1.00 0.00 O ATOM 712 CB LYS A 47 -0.062 -0.863 -10.514 1.00 0.00 C ATOM 713 CG LYS A 47 0.365 -1.958 -9.551 1.00 0.00 C ATOM 714 CD LYS A 47 1.599 -2.690 -10.051 1.00 0.00 C ATOM 715 CE LYS A 47 2.869 -1.903 -9.766 1.00 0.00 C ATOM 716 NZ LYS A 47 3.059 -1.665 -8.309 1.00 0.00 N ATOM 0 H LYS A 47 -2.791 -1.717 -10.422 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.206 0.507 -9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.156 -1.286 -11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.721 -0.106 -10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.570 -1.524 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.452 -2.668 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.661 -3.668 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.510 -2.864 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.728 -2.445 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.828 -0.947 -10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.068 -1.509 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.516 -0.826 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.726 -2.493 -7.776 1.00 0.00 H new ATOM 730 N ASN A 48 -2.202 1.870 -11.111 1.00 0.00 N ATOM 731 CA ASN A 48 -2.732 2.725 -12.168 1.00 0.00 C ATOM 732 C ASN A 48 -1.641 3.088 -13.172 1.00 0.00 C ATOM 733 O ASN A 48 -0.469 2.771 -12.971 1.00 0.00 O ATOM 734 CB ASN A 48 -3.334 3.997 -11.570 1.00 0.00 C ATOM 735 CG ASN A 48 -4.788 3.819 -11.177 1.00 0.00 C ATOM 736 OD1 ASN A 48 -5.677 4.463 -11.735 1.00 0.00 O ATOM 737 ND2 ASN A 48 -5.037 2.943 -10.210 1.00 0.00 N ATOM 0 H ASN A 48 -2.063 2.342 -10.217 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.513 2.173 -12.691 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.757 4.291 -10.693 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.253 4.809 -12.293 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.996 2.782 -9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.269 2.431 -9.775 1.00 0.00 H new ATOM 744 N ASP A 49 -2.035 3.758 -14.249 1.00 0.00 N ATOM 745 CA ASP A 49 -1.091 4.166 -15.283 1.00 0.00 C ATOM 746 C ASP A 49 0.092 4.910 -14.674 1.00 0.00 C ATOM 747 O ASP A 49 1.138 5.057 -15.307 1.00 0.00 O ATOM 748 CB ASP A 49 -1.789 5.050 -16.318 1.00 0.00 C ATOM 749 CG ASP A 49 -0.967 5.220 -17.581 1.00 0.00 C ATOM 750 OD1 ASP A 49 0.148 5.777 -17.494 1.00 0.00 O ATOM 751 OD2 ASP A 49 -1.439 4.797 -18.657 1.00 0.00 O ATOM 0 H ASP A 49 -3.001 4.030 -14.429 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.717 3.269 -15.776 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.755 4.614 -16.572 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.986 6.029 -15.882 1.00 0.00 H new ATOM 756 N ASP A 50 -0.079 5.378 -13.443 1.00 0.00 N ATOM 757 CA ASP A 50 0.975 6.107 -12.749 1.00 0.00 C ATOM 758 C ASP A 50 1.496 5.308 -11.559 1.00 0.00 C ATOM 759 O ASP A 50 1.086 4.170 -11.335 1.00 0.00 O ATOM 760 CB ASP A 50 0.459 7.468 -12.278 1.00 0.00 C ATOM 761 CG ASP A 50 1.562 8.503 -12.179 1.00 0.00 C ATOM 762 OD1 ASP A 50 2.347 8.629 -13.142 1.00 0.00 O ATOM 763 OD2 ASP A 50 1.642 9.187 -11.136 1.00 0.00 O ATOM 0 H ASP A 50 -0.938 5.265 -12.905 1.00 0.00 H new ATOM 0 HA ASP A 50 1.797 6.261 -13.448 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.306 7.822 -12.969 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.018 7.355 -11.304 1.00 0.00 H new ATOM 768 N GLY A 51 2.404 5.913 -10.797 1.00 0.00 N ATOM 769 CA GLY A 51 2.967 5.242 -9.640 1.00 0.00 C ATOM 770 C GLY A 51 1.925 4.937 -8.583 1.00 0.00 C ATOM 771 O GLY A 51 2.196 4.210 -7.626 1.00 0.00 O ATOM 0 H GLY A 51 2.759 6.855 -10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.441 4.313 -9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.748 5.866 -9.206 1.00 0.00 H new ATOM 775 N TRP A 52 0.731 5.493 -8.753 1.00 0.00 N ATOM 776 CA TRP A 52 -0.355 5.278 -7.804 1.00 0.00 C ATOM 777 C TRP A 52 -0.735 3.802 -7.737 1.00 0.00 C ATOM 778 O TRP A 52 -1.089 3.197 -8.750 1.00 0.00 O ATOM 779 CB TRP A 52 -1.575 6.113 -8.196 1.00 0.00 C ATOM 780 CG TRP A 52 -1.437 7.564 -7.844 1.00 0.00 C ATOM 781 CD1 TRP A 52 -0.776 8.522 -8.560 1.00 0.00 C ATOM 782 CD2 TRP A 52 -1.972 8.221 -6.689 1.00 0.00 C ATOM 783 NE1 TRP A 52 -0.868 9.734 -7.919 1.00 0.00 N ATOM 784 CE2 TRP A 52 -1.597 9.576 -6.770 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.732 7.796 -5.597 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -1.958 10.507 -5.799 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -3.087 8.721 -4.633 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.701 10.064 -4.740 1.00 0.00 C ATOM 0 H TRP A 52 0.490 6.096 -9.539 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.010 5.591 -6.818 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.740 6.021 -9.269 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.458 5.708 -7.701 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.258 8.352 -9.492 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.460 10.610 -8.246 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.037 6.764 -5.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.662 11.542 -5.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.672 8.403 -3.783 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.996 10.763 -3.971 1.00 0.00 H new ATOM 799 N TYR A 53 -0.661 3.231 -6.541 1.00 0.00 N ATOM 800 CA TYR A 53 -0.995 1.825 -6.343 1.00 0.00 C ATOM 801 C TYR A 53 -2.082 1.668 -5.284 1.00 0.00 C ATOM 802 O TYR A 53 -2.033 2.301 -4.230 1.00 0.00 O ATOM 803 CB TYR A 53 0.250 1.035 -5.934 1.00 0.00 C ATOM 804 CG TYR A 53 1.478 1.378 -6.747 1.00 0.00 C ATOM 805 CD1 TYR A 53 1.531 1.108 -8.109 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.584 1.971 -6.153 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.651 1.418 -8.856 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.709 2.285 -6.892 1.00 0.00 C ATOM 809 CZ TYR A 53 3.738 2.007 -8.244 1.00 0.00 C ATOM 810 OH TYR A 53 4.854 2.319 -8.983 1.00 0.00 O ATOM 0 H TYR A 53 -0.373 3.719 -5.693 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.372 1.431 -7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.458 1.221 -4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.044 -0.030 -6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.682 0.648 -8.592 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.565 2.191 -5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.675 1.200 -9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.561 2.746 -6.414 1.00 0.00 H new ATOM 0 HH TYR A 53 5.528 2.729 -8.401 1.00 0.00 H new ATOM 820 N GLU A 54 -3.062 0.818 -5.573 1.00 0.00 N ATOM 821 CA GLU A 54 -4.161 0.576 -4.647 1.00 0.00 C ATOM 822 C GLU A 54 -3.806 -0.529 -3.658 1.00 0.00 C ATOM 823 O GLU A 54 -3.496 -1.653 -4.051 1.00 0.00 O ATOM 824 CB GLU A 54 -5.431 0.202 -5.414 1.00 0.00 C ATOM 825 CG GLU A 54 -6.713 0.550 -4.676 1.00 0.00 C ATOM 826 CD GLU A 54 -7.895 0.722 -5.609 1.00 0.00 C ATOM 827 OE1 GLU A 54 -7.834 0.209 -6.746 1.00 0.00 O ATOM 828 OE2 GLU A 54 -8.882 1.372 -5.204 1.00 0.00 O ATOM 0 H GLU A 54 -3.117 0.286 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.340 1.495 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.427 0.712 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.419 -0.868 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.936 -0.235 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.564 1.470 -4.111 1.00 0.00 H new ATOM 835 N GLY A 55 -3.852 -0.201 -2.370 1.00 0.00 N ATOM 836 CA GLY A 55 -3.532 -1.176 -1.343 1.00 0.00 C ATOM 837 C GLY A 55 -4.531 -1.166 -0.203 1.00 0.00 C ATOM 838 O GLY A 55 -5.230 -0.176 0.011 1.00 0.00 O ATOM 0 H GLY A 55 -4.105 0.723 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.502 -2.171 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.536 -0.972 -0.951 1.00 0.00 H new ATOM 842 N VAL A 56 -4.598 -2.272 0.533 1.00 0.00 N ATOM 843 CA VAL A 56 -5.520 -2.386 1.656 1.00 0.00 C ATOM 844 C VAL A 56 -4.796 -2.181 2.983 1.00 0.00 C ATOM 845 O VAL A 56 -3.764 -2.801 3.242 1.00 0.00 O ATOM 846 CB VAL A 56 -6.217 -3.760 1.673 1.00 0.00 C ATOM 847 CG1 VAL A 56 -7.180 -3.856 2.847 1.00 0.00 C ATOM 848 CG2 VAL A 56 -6.941 -4.005 0.358 1.00 0.00 C ATOM 0 H VAL A 56 -4.025 -3.100 0.371 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.271 -1.607 1.529 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.457 -4.532 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.663 -4.833 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.631 -3.727 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.937 -3.077 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.428 -4.980 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.691 -3.229 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.223 -3.982 -0.462 1.00 0.00 H new ATOM 858 N MET A 57 -5.344 -1.306 3.820 1.00 0.00 N ATOM 859 CA MET A 57 -4.750 -1.019 5.122 1.00 0.00 C ATOM 860 C MET A 57 -5.827 -0.910 6.197 1.00 0.00 C ATOM 861 O MET A 57 -6.881 -0.315 5.976 1.00 0.00 O ATOM 862 CB MET A 57 -3.939 0.276 5.061 1.00 0.00 C ATOM 863 CG MET A 57 -2.767 0.304 6.028 1.00 0.00 C ATOM 864 SD MET A 57 -3.255 0.772 7.699 1.00 0.00 S ATOM 865 CE MET A 57 -2.547 2.413 7.811 1.00 0.00 C ATOM 0 H MET A 57 -6.197 -0.784 3.621 1.00 0.00 H new ATOM 0 HA MET A 57 -4.085 -1.843 5.381 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.566 0.414 4.046 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.597 1.118 5.276 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.298 -0.680 6.053 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.017 1.005 5.663 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.121 3.009 8.520 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.514 2.341 8.150 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.575 2.889 6.831 1.00 0.00 H new ATOM 875 N ASN A 58 -5.552 -1.487 7.362 1.00 0.00 N ATOM 876 CA ASN A 58 -6.498 -1.455 8.472 1.00 0.00 C ATOM 877 C ASN A 58 -7.928 -1.652 7.975 1.00 0.00 C ATOM 878 O ASN A 58 -8.861 -1.029 8.477 1.00 0.00 O ATOM 879 CB ASN A 58 -6.386 -0.129 9.226 1.00 0.00 C ATOM 880 CG ASN A 58 -7.244 0.959 8.611 1.00 0.00 C ATOM 881 OD1 ASN A 58 -8.346 1.241 9.085 1.00 0.00 O ATOM 882 ND2 ASN A 58 -6.744 1.578 7.547 1.00 0.00 N ATOM 0 H ASN A 58 -4.683 -1.982 7.562 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.253 -2.273 9.150 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.682 -0.278 10.264 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.345 0.194 9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.277 2.318 7.090 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.827 1.313 7.187 1.00 0.00 H new ATOM 889 N GLY A 59 -8.089 -2.524 6.984 1.00 0.00 N ATOM 890 CA GLY A 59 -9.406 -2.788 6.436 1.00 0.00 C ATOM 891 C GLY A 59 -9.813 -1.769 5.388 1.00 0.00 C ATOM 892 O GLY A 59 -10.441 -2.114 4.388 1.00 0.00 O ATOM 0 H GLY A 59 -7.331 -3.052 6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.419 -3.784 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.139 -2.787 7.243 1.00 0.00 H new ATOM 896 N VAL A 60 -9.456 -0.510 5.619 1.00 0.00 N ATOM 897 CA VAL A 60 -9.787 0.562 4.688 1.00 0.00 C ATOM 898 C VAL A 60 -8.882 0.525 3.462 1.00 0.00 C ATOM 899 O VAL A 60 -7.666 0.681 3.569 1.00 0.00 O ATOM 900 CB VAL A 60 -9.669 1.943 5.358 1.00 0.00 C ATOM 901 CG1 VAL A 60 -10.127 3.039 4.407 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.472 1.980 6.650 1.00 0.00 C ATOM 0 H VAL A 60 -8.937 -0.207 6.443 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.820 0.404 4.378 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.621 2.119 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.036 4.008 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.506 3.027 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.167 2.869 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.377 2.964 7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.521 1.781 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.094 1.221 7.335 1.00 0.00 H new ATOM 912 N THR A 61 -9.485 0.317 2.295 1.00 0.00 N ATOM 913 CA THR A 61 -8.733 0.259 1.047 1.00 0.00 C ATOM 914 C THR A 61 -8.834 1.574 0.282 1.00 0.00 C ATOM 915 O THR A 61 -9.865 2.244 0.314 1.00 0.00 O ATOM 916 CB THR A 61 -9.231 -0.885 0.145 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.330 -2.098 0.901 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.291 -1.093 -1.034 1.00 0.00 C ATOM 0 H THR A 61 -10.491 0.186 2.188 1.00 0.00 H new ATOM 0 HA THR A 61 -7.692 0.076 1.313 1.00 0.00 H new ATOM 0 HB THR A 61 -10.215 -0.614 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.796 -2.777 0.370 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.663 -1.906 -1.657 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.240 -0.178 -1.624 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.296 -1.344 -0.666 1.00 0.00 H new ATOM 926 N GLY A 62 -7.757 1.937 -0.405 1.00 0.00 N ATOM 927 CA GLY A 62 -7.744 3.171 -1.169 1.00 0.00 C ATOM 928 C GLY A 62 -6.508 3.307 -2.036 1.00 0.00 C ATOM 929 O GLY A 62 -5.623 2.451 -2.005 1.00 0.00 O ATOM 0 H GLY A 62 -6.892 1.398 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.632 3.213 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.799 4.018 -0.485 1.00 0.00 H new ATOM 933 N LEU A 63 -6.446 4.382 -2.813 1.00 0.00 N ATOM 934 CA LEU A 63 -5.310 4.625 -3.694 1.00 0.00 C ATOM 935 C LEU A 63 -4.279 5.524 -3.018 1.00 0.00 C ATOM 936 O LEU A 63 -4.610 6.297 -2.120 1.00 0.00 O ATOM 937 CB LEU A 63 -5.780 5.264 -5.002 1.00 0.00 C ATOM 938 CG LEU A 63 -6.280 4.299 -6.078 1.00 0.00 C ATOM 939 CD1 LEU A 63 -7.298 4.983 -6.977 1.00 0.00 C ATOM 940 CD2 LEU A 63 -5.115 3.765 -6.899 1.00 0.00 C ATOM 0 H LEU A 63 -7.170 5.100 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.841 3.666 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.580 5.967 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.955 5.844 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.768 3.458 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.642 4.281 -7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.146 5.316 -6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.836 5.843 -7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.490 3.080 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.599 4.595 -7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.421 3.237 -6.245 1.00 0.00 H new ATOM 952 N PHE A 64 -3.029 5.418 -3.457 1.00 0.00 N ATOM 953 CA PHE A 64 -1.951 6.220 -2.896 1.00 0.00 C ATOM 954 C PHE A 64 -0.780 6.317 -3.870 1.00 0.00 C ATOM 955 O PHE A 64 -0.545 5.427 -4.687 1.00 0.00 O ATOM 956 CB PHE A 64 -1.477 5.622 -1.571 1.00 0.00 C ATOM 957 CG PHE A 64 -0.956 4.219 -1.698 1.00 0.00 C ATOM 958 CD1 PHE A 64 -1.819 3.136 -1.627 1.00 0.00 C ATOM 959 CD2 PHE A 64 0.396 3.982 -1.889 1.00 0.00 C ATOM 960 CE1 PHE A 64 -1.343 1.845 -1.745 1.00 0.00 C ATOM 961 CE2 PHE A 64 0.878 2.692 -2.007 1.00 0.00 C ATOM 962 CZ PHE A 64 0.008 1.622 -1.936 1.00 0.00 C ATOM 0 H PHE A 64 -2.739 4.783 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.336 7.224 -2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.693 6.256 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.304 5.631 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.875 3.304 -1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.081 4.815 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.026 1.010 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.934 2.521 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.382 0.613 -2.029 1.00 0.00 H new ATOM 972 N PRO A 65 -0.028 7.424 -3.784 1.00 0.00 N ATOM 973 CA PRO A 65 1.130 7.665 -4.649 1.00 0.00 C ATOM 974 C PRO A 65 2.295 6.732 -4.333 1.00 0.00 C ATOM 975 O PRO A 65 2.695 6.593 -3.178 1.00 0.00 O ATOM 976 CB PRO A 65 1.509 9.114 -4.341 1.00 0.00 C ATOM 977 CG PRO A 65 0.998 9.355 -2.962 1.00 0.00 C ATOM 978 CD PRO A 65 -0.251 8.527 -2.833 1.00 0.00 C ATOM 0 HA PRO A 65 0.898 7.485 -5.699 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.588 9.261 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.058 9.802 -5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.737 9.065 -2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.784 10.412 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.386 8.160 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.142 9.102 -3.086 1.00 0.00 H new ATOM 986 N GLY A 66 2.833 6.094 -5.368 1.00 0.00 N ATOM 987 CA GLY A 66 3.947 5.181 -5.178 1.00 0.00 C ATOM 988 C GLY A 66 5.169 5.870 -4.608 1.00 0.00 C ATOM 989 O GLY A 66 6.074 5.217 -4.089 1.00 0.00 O ATOM 0 H GLY A 66 2.519 6.192 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.643 4.376 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.204 4.723 -6.133 1.00 0.00 H new ATOM 993 N ASN A 67 5.199 7.196 -4.704 1.00 0.00 N ATOM 994 CA ASN A 67 6.323 7.974 -4.194 1.00 0.00 C ATOM 995 C ASN A 67 6.366 7.932 -2.670 1.00 0.00 C ATOM 996 O ASN A 67 7.297 7.381 -2.080 1.00 0.00 O ATOM 997 CB ASN A 67 6.224 9.424 -4.673 1.00 0.00 C ATOM 998 CG ASN A 67 7.567 10.128 -4.665 1.00 0.00 C ATOM 999 OD1 ASN A 67 8.545 9.631 -5.226 1.00 0.00 O ATOM 1000 ND2 ASN A 67 7.621 11.291 -4.027 1.00 0.00 N ATOM 0 H ASN A 67 4.459 7.754 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 67 7.243 7.533 -4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.813 9.443 -5.682 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.528 9.968 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.498 11.811 -3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.786 11.665 -3.576 1.00 0.00 H new ATOM 1007 N TYR A 68 5.356 8.517 -2.038 1.00 0.00 N ATOM 1008 CA TYR A 68 5.279 8.549 -0.583 1.00 0.00 C ATOM 1009 C TYR A 68 5.763 7.232 0.016 1.00 0.00 C ATOM 1010 O TYR A 68 6.323 7.204 1.114 1.00 0.00 O ATOM 1011 CB TYR A 68 3.845 8.831 -0.131 1.00 0.00 C ATOM 1012 CG TYR A 68 3.502 10.302 -0.086 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.239 11.012 -1.253 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.443 10.985 1.122 1.00 0.00 C ATOM 1015 CE1 TYR A 68 2.926 12.356 -1.215 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.131 12.329 1.169 1.00 0.00 C ATOM 1017 CZ TYR A 68 2.873 13.011 -0.003 1.00 0.00 C ATOM 1018 OH TYR A 68 2.562 14.351 0.039 1.00 0.00 O ATOM 0 H TYR A 68 4.578 8.976 -2.511 1.00 0.00 H new ATOM 0 HA TYR A 68 5.927 9.350 -0.228 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.154 8.326 -0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.694 8.401 0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.280 10.503 -2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.645 10.455 2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.724 12.892 -2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.089 12.844 2.117 1.00 0.00 H new ATOM 0 HH TYR A 68 2.566 14.659 0.969 1.00 0.00 H new ATOM 1028 N VAL A 69 5.545 6.142 -0.712 1.00 0.00 N ATOM 1029 CA VAL A 69 5.960 4.821 -0.254 1.00 0.00 C ATOM 1030 C VAL A 69 7.165 4.320 -1.043 1.00 0.00 C ATOM 1031 O VAL A 69 7.590 4.950 -2.011 1.00 0.00 O ATOM 1032 CB VAL A 69 4.816 3.798 -0.382 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.515 4.382 0.149 1.00 0.00 C ATOM 1034 CG2 VAL A 69 4.657 3.353 -1.828 1.00 0.00 C ATOM 0 H VAL A 69 5.083 6.147 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 69 6.233 4.921 0.797 1.00 0.00 H new ATOM 0 HB VAL A 69 5.067 2.923 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.718 3.645 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.637 4.646 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.257 5.274 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.844 2.630 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.430 4.217 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.583 2.892 -2.171 1.00 0.00 H new ATOM 1044 N GLU A 70 7.709 3.183 -0.623 1.00 0.00 N ATOM 1045 CA GLU A 70 8.866 2.597 -1.291 1.00 0.00 C ATOM 1046 C GLU A 70 8.774 1.074 -1.302 1.00 0.00 C ATOM 1047 O GLU A 70 7.933 0.487 -0.621 1.00 0.00 O ATOM 1048 CB GLU A 70 10.158 3.036 -0.599 1.00 0.00 C ATOM 1049 CG GLU A 70 10.486 4.506 -0.798 1.00 0.00 C ATOM 1050 CD GLU A 70 10.651 4.874 -2.262 1.00 0.00 C ATOM 1051 OE1 GLU A 70 11.257 4.079 -3.008 1.00 0.00 O ATOM 1052 OE2 GLU A 70 10.170 5.957 -2.657 1.00 0.00 O ATOM 0 H GLU A 70 7.368 2.649 0.176 1.00 0.00 H new ATOM 0 HA GLU A 70 8.876 2.950 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.076 2.832 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.985 2.434 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.693 5.114 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.404 4.746 -0.261 1.00 0.00 H new ATOM 1059 N SER A 71 9.645 0.441 -2.080 1.00 0.00 N ATOM 1060 CA SER A 71 9.661 -1.014 -2.184 1.00 0.00 C ATOM 1061 C SER A 71 10.697 -1.615 -1.240 1.00 0.00 C ATOM 1062 O SER A 71 11.893 -1.348 -1.362 1.00 0.00 O ATOM 1063 CB SER A 71 9.957 -1.441 -3.623 1.00 0.00 C ATOM 1064 OG SER A 71 10.153 -2.842 -3.711 1.00 0.00 O ATOM 0 H SER A 71 10.349 0.912 -2.648 1.00 0.00 H new ATOM 0 HA SER A 71 8.677 -1.384 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.131 -1.145 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.846 -0.923 -3.983 1.00 0.00 H new ATOM 0 HG SER A 71 10.339 -3.089 -4.641 1.00 0.00 H new ATOM 1070 N ILE A 72 10.230 -2.428 -0.299 1.00 0.00 N ATOM 1071 CA ILE A 72 11.115 -3.068 0.667 1.00 0.00 C ATOM 1072 C ILE A 72 11.319 -4.542 0.332 1.00 0.00 C ATOM 1073 O ILE A 72 12.306 -5.152 0.745 1.00 0.00 O ATOM 1074 CB ILE A 72 10.564 -2.951 2.101 1.00 0.00 C ATOM 1075 CG1 ILE A 72 9.113 -3.430 2.153 1.00 0.00 C ATOM 1076 CG2 ILE A 72 10.673 -1.514 2.593 1.00 0.00 C ATOM 1077 CD1 ILE A 72 8.601 -3.651 3.560 1.00 0.00 C ATOM 0 H ILE A 72 9.243 -2.659 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 72 12.071 -2.548 0.611 1.00 0.00 H new ATOM 0 HB ILE A 72 11.159 -3.586 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.479 -2.697 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.025 -4.361 1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.280 -1.446 3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.719 -1.206 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 72 10.099 -0.860 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.566 -3.990 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.212 -4.406 4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.656 -2.716 4.118 1.00 0.00 H new ATOM 1089 N SER A 73 10.382 -5.107 -0.421 1.00 0.00 N ATOM 1090 CA SER A 73 10.457 -6.511 -0.810 1.00 0.00 C ATOM 1091 C SER A 73 10.346 -6.661 -2.325 1.00 0.00 C ATOM 1092 O SER A 73 9.834 -5.778 -3.011 1.00 0.00 O ATOM 1093 CB SER A 73 9.350 -7.313 -0.123 1.00 0.00 C ATOM 1094 OG SER A 73 9.724 -7.673 1.194 1.00 0.00 O ATOM 0 H SER A 73 9.562 -4.615 -0.774 1.00 0.00 H new ATOM 0 HA SER A 73 11.425 -6.899 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.433 -6.724 -0.096 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.135 -8.211 -0.702 1.00 0.00 H new ATOM 0 HG SER A 73 8.999 -8.183 1.612 1.00 0.00 H new ATOM 1100 N GLY A 74 10.828 -7.789 -2.838 1.00 0.00 N ATOM 1101 CA GLY A 74 10.774 -8.036 -4.266 1.00 0.00 C ATOM 1102 C GLY A 74 11.595 -9.242 -4.678 1.00 0.00 C ATOM 1103 O GLY A 74 12.035 -10.034 -3.844 1.00 0.00 O ATOM 0 H GLY A 74 11.255 -8.536 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.737 -8.187 -4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.135 -7.156 -4.798 1.00 0.00 H new ATOM 1107 N PRO A 75 11.809 -9.396 -5.993 1.00 0.00 N ATOM 1108 CA PRO A 75 12.581 -10.514 -6.543 1.00 0.00 C ATOM 1109 C PRO A 75 14.066 -10.410 -6.213 1.00 0.00 C ATOM 1110 O PRO A 75 14.818 -11.370 -6.383 1.00 0.00 O ATOM 1111 CB PRO A 75 12.358 -10.391 -8.053 1.00 0.00 C ATOM 1112 CG PRO A 75 12.050 -8.950 -8.273 1.00 0.00 C ATOM 1113 CD PRO A 75 11.313 -8.492 -7.043 1.00 0.00 C ATOM 0 HA PRO A 75 12.264 -11.471 -6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.244 -10.696 -8.610 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.537 -11.027 -8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.963 -8.373 -8.418 1.00 0.00 H new ATOM 0 HG3 PRO A 75 11.441 -8.813 -9.167 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.528 -7.449 -6.810 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.233 -8.574 -7.167 1.00 0.00 H new ATOM 1121 N SER A 76 14.483 -9.239 -5.743 1.00 0.00 N ATOM 1122 CA SER A 76 15.880 -9.008 -5.393 1.00 0.00 C ATOM 1123 C SER A 76 16.359 -10.033 -4.369 1.00 0.00 C ATOM 1124 O SER A 76 15.761 -10.190 -3.304 1.00 0.00 O ATOM 1125 CB SER A 76 16.062 -7.594 -4.840 1.00 0.00 C ATOM 1126 OG SER A 76 15.310 -7.410 -3.652 1.00 0.00 O ATOM 0 H SER A 76 13.873 -8.435 -5.596 1.00 0.00 H new ATOM 0 HA SER A 76 16.479 -9.116 -6.297 1.00 0.00 H new ATOM 0 HB2 SER A 76 17.118 -7.412 -4.638 1.00 0.00 H new ATOM 0 HB3 SER A 76 15.751 -6.865 -5.588 1.00 0.00 H new ATOM 0 HG SER A 76 15.202 -8.271 -3.197 1.00 0.00 H new ATOM 1132 N SER A 77 17.443 -10.728 -4.701 1.00 0.00 N ATOM 1133 CA SER A 77 18.002 -11.742 -3.813 1.00 0.00 C ATOM 1134 C SER A 77 18.985 -11.118 -2.828 1.00 0.00 C ATOM 1135 O SER A 77 20.120 -10.799 -3.184 1.00 0.00 O ATOM 1136 CB SER A 77 18.700 -12.833 -4.627 1.00 0.00 C ATOM 1137 OG SER A 77 19.237 -13.835 -3.781 1.00 0.00 O ATOM 0 H SER A 77 17.951 -10.608 -5.577 1.00 0.00 H new ATOM 0 HA SER A 77 17.183 -12.188 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 77 17.991 -13.282 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.497 -12.391 -5.225 1.00 0.00 H new ATOM 0 HG SER A 77 19.676 -14.521 -4.325 1.00 0.00 H new ATOM 1143 N GLY A 78 18.541 -10.946 -1.588 1.00 0.00 N ATOM 1144 CA GLY A 78 19.393 -10.361 -0.567 1.00 0.00 C ATOM 1145 C GLY A 78 19.874 -8.971 -0.941 1.00 0.00 C ATOM 1146 O GLY A 78 20.595 -8.331 -0.178 1.00 0.00 O ATOM 0 H GLY A 78 17.606 -11.201 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.846 -10.312 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.254 -11.008 -0.402 1.00 0.00 H new TER 1150 GLY A 78