USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 652 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 9:sc= 0.741 USER MOD Single : A 5 SER OG : rot 22:sc= 0.876 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.92 F(o=-4.8!,f=-1.9) USER MOD Single : A 35 CYS SG : rot 73:sc= -1.31 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 46 CYS SG : rot -9:sc= 0.198 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -3.05 K(o=-3.1,f=-8!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.088 K(o=-0.088,f=-1.7!) USER MOD Single : A 54 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.21) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0288) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.293 4.620 25.182 1.00 0.00 N ATOM 2 CA GLY A 1 35.101 4.187 24.057 1.00 0.00 C ATOM 3 C GLY A 1 34.468 4.528 22.723 1.00 0.00 C ATOM 4 O GLY A 1 33.387 4.037 22.398 1.00 0.00 O ATOM 0 H1 GLY A 1 34.769 4.364 26.070 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.167 5.652 25.142 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.363 4.156 25.141 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.084 4.654 24.119 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.255 3.110 24.118 1.00 0.00 H new ATOM 8 N SER A 2 35.142 5.372 21.948 1.00 0.00 N ATOM 9 CA SER A 2 34.635 5.782 20.643 1.00 0.00 C ATOM 10 C SER A 2 35.070 4.802 19.558 1.00 0.00 C ATOM 11 O SER A 2 36.242 4.751 19.186 1.00 0.00 O ATOM 12 CB SER A 2 35.127 7.190 20.301 1.00 0.00 C ATOM 13 OG SER A 2 34.576 7.639 19.076 1.00 0.00 O ATOM 0 H SER A 2 36.040 5.785 22.201 1.00 0.00 H new ATOM 0 HA SER A 2 33.546 5.786 20.689 1.00 0.00 H new ATOM 0 HB2 SER A 2 34.853 7.878 21.100 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.215 7.193 20.237 1.00 0.00 H new ATOM 0 HG SER A 2 34.905 8.541 18.881 1.00 0.00 H new ATOM 19 N SER A 3 34.116 4.024 19.056 1.00 0.00 N ATOM 20 CA SER A 3 34.400 3.041 18.016 1.00 0.00 C ATOM 21 C SER A 3 33.132 2.679 17.250 1.00 0.00 C ATOM 22 O SER A 3 32.022 2.990 17.681 1.00 0.00 O ATOM 23 CB SER A 3 35.016 1.782 18.630 1.00 0.00 C ATOM 24 OG SER A 3 36.327 2.035 19.105 1.00 0.00 O ATOM 0 H SER A 3 33.140 4.055 19.352 1.00 0.00 H new ATOM 0 HA SER A 3 35.112 3.482 17.318 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.390 1.430 19.450 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.043 0.986 17.886 1.00 0.00 H new ATOM 0 HG SER A 3 36.508 2.998 19.070 1.00 0.00 H new ATOM 30 N GLY A 4 33.305 2.019 16.109 1.00 0.00 N ATOM 31 CA GLY A 4 32.167 1.625 15.300 1.00 0.00 C ATOM 32 C GLY A 4 32.060 0.121 15.142 1.00 0.00 C ATOM 33 O GLY A 4 32.438 -0.633 16.040 1.00 0.00 O ATOM 0 H GLY A 4 34.213 1.750 15.731 1.00 0.00 H new ATOM 0 HA2 GLY A 4 31.253 2.005 15.755 1.00 0.00 H new ATOM 0 HA3 GLY A 4 32.248 2.086 14.315 1.00 0.00 H new ATOM 37 N SER A 5 31.543 -0.318 13.999 1.00 0.00 N ATOM 38 CA SER A 5 31.382 -1.742 13.730 1.00 0.00 C ATOM 39 C SER A 5 31.251 -2.000 12.231 1.00 0.00 C ATOM 40 O SER A 5 30.242 -1.656 11.617 1.00 0.00 O ATOM 41 CB SER A 5 30.153 -2.286 14.461 1.00 0.00 C ATOM 42 OG SER A 5 30.455 -2.583 15.813 1.00 0.00 O ATOM 0 H SER A 5 31.228 0.292 13.244 1.00 0.00 H new ATOM 0 HA SER A 5 32.270 -2.258 14.095 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.346 -1.554 14.417 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.795 -3.185 13.959 1.00 0.00 H new ATOM 0 HG SER A 5 31.241 -2.069 16.093 1.00 0.00 H new ATOM 48 N SER A 6 32.281 -2.607 11.650 1.00 0.00 N ATOM 49 CA SER A 6 32.284 -2.908 10.223 1.00 0.00 C ATOM 50 C SER A 6 31.008 -3.640 9.819 1.00 0.00 C ATOM 51 O SER A 6 30.508 -4.491 10.554 1.00 0.00 O ATOM 52 CB SER A 6 33.507 -3.754 9.862 1.00 0.00 C ATOM 53 OG SER A 6 34.681 -2.962 9.818 1.00 0.00 O ATOM 0 H SER A 6 33.123 -2.900 12.145 1.00 0.00 H new ATOM 0 HA SER A 6 32.329 -1.965 9.678 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.630 -4.552 10.595 1.00 0.00 H new ATOM 0 HB3 SER A 6 33.350 -4.231 8.895 1.00 0.00 H new ATOM 0 HG SER A 6 35.448 -3.527 9.587 1.00 0.00 H new ATOM 59 N GLY A 7 30.485 -3.301 8.645 1.00 0.00 N ATOM 60 CA GLY A 7 29.272 -3.935 8.162 1.00 0.00 C ATOM 61 C GLY A 7 28.021 -3.328 8.767 1.00 0.00 C ATOM 62 O GLY A 7 27.168 -4.042 9.293 1.00 0.00 O ATOM 0 H GLY A 7 30.880 -2.599 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 7 29.227 -3.847 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.305 -4.999 8.394 1.00 0.00 H new ATOM 66 N GLY A 8 27.913 -2.005 8.695 1.00 0.00 N ATOM 67 CA GLY A 8 26.755 -1.324 9.246 1.00 0.00 C ATOM 68 C GLY A 8 25.456 -1.792 8.621 1.00 0.00 C ATOM 69 O GLY A 8 25.057 -2.945 8.789 1.00 0.00 O ATOM 0 H GLY A 8 28.606 -1.392 8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 8 26.717 -1.491 10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 8 26.862 -0.250 9.093 1.00 0.00 H new ATOM 73 N TYR A 9 24.792 -0.896 7.898 1.00 0.00 N ATOM 74 CA TYR A 9 23.528 -1.223 7.249 1.00 0.00 C ATOM 75 C TYR A 9 23.714 -1.382 5.744 1.00 0.00 C ATOM 76 O TYR A 9 24.622 -0.809 5.140 1.00 0.00 O ATOM 77 CB TYR A 9 22.489 -0.136 7.534 1.00 0.00 C ATOM 78 CG TYR A 9 22.983 1.264 7.248 1.00 0.00 C ATOM 79 CD1 TYR A 9 22.856 1.822 5.982 1.00 0.00 C ATOM 80 CD2 TYR A 9 23.577 2.029 8.245 1.00 0.00 C ATOM 81 CE1 TYR A 9 23.306 3.100 5.717 1.00 0.00 C ATOM 82 CE2 TYR A 9 24.030 3.309 7.988 1.00 0.00 C ATOM 83 CZ TYR A 9 23.892 3.840 6.723 1.00 0.00 C ATOM 84 OH TYR A 9 24.341 5.114 6.462 1.00 0.00 O ATOM 0 H TYR A 9 25.108 0.062 7.747 1.00 0.00 H new ATOM 0 HA TYR A 9 23.174 -2.171 7.655 1.00 0.00 H new ATOM 0 HB2 TYR A 9 21.600 -0.328 6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 9 22.187 -0.199 8.579 1.00 0.00 H new ATOM 0 HD1 TYR A 9 22.397 1.246 5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 9 23.686 1.616 9.237 1.00 0.00 H new ATOM 0 HE1 TYR A 9 23.200 3.518 4.727 1.00 0.00 H new ATOM 0 HE2 TYR A 9 24.490 3.890 8.774 1.00 0.00 H new ATOM 0 HH TYR A 9 24.726 5.498 7.277 1.00 0.00 H new ATOM 94 N PRO A 10 22.833 -2.179 5.121 1.00 0.00 N ATOM 95 CA PRO A 10 21.749 -2.866 5.829 1.00 0.00 C ATOM 96 C PRO A 10 22.263 -3.979 6.736 1.00 0.00 C ATOM 97 O PRO A 10 23.263 -4.629 6.432 1.00 0.00 O ATOM 98 CB PRO A 10 20.899 -3.449 4.697 1.00 0.00 C ATOM 99 CG PRO A 10 21.843 -3.601 3.555 1.00 0.00 C ATOM 100 CD PRO A 10 22.828 -2.471 3.678 1.00 0.00 C ATOM 0 HA PRO A 10 21.202 -2.192 6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 10 20.464 -4.407 4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 10 20.072 -2.787 4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.349 -4.566 3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 10 21.314 -3.556 2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 10 23.817 -2.760 3.323 1.00 0.00 H new ATOM 0 HD3 PRO A 10 22.520 -1.604 3.094 1.00 0.00 H new ATOM 108 N ASN A 11 21.573 -4.193 7.852 1.00 0.00 N ATOM 109 CA ASN A 11 21.961 -5.228 8.804 1.00 0.00 C ATOM 110 C ASN A 11 21.008 -6.417 8.732 1.00 0.00 C ATOM 111 O ASN A 11 19.871 -6.344 9.195 1.00 0.00 O ATOM 112 CB ASN A 11 21.982 -4.661 10.225 1.00 0.00 C ATOM 113 CG ASN A 11 22.488 -5.667 11.241 1.00 0.00 C ATOM 114 OD1 ASN A 11 23.632 -6.114 11.171 1.00 0.00 O ATOM 115 ND2 ASN A 11 21.634 -6.027 12.192 1.00 0.00 N ATOM 0 H ASN A 11 20.743 -3.664 8.119 1.00 0.00 H new ATOM 0 HA ASN A 11 22.962 -5.571 8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 11 22.615 -3.774 10.250 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.977 -4.344 10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 11 21.917 -6.700 12.904 1.00 0.00 H new ATOM 0 HD22 ASN A 11 20.695 -5.630 12.211 1.00 0.00 H new ATOM 122 N GLY A 12 21.482 -7.514 8.148 1.00 0.00 N ATOM 123 CA GLY A 12 20.660 -8.704 8.027 1.00 0.00 C ATOM 124 C GLY A 12 20.417 -9.096 6.583 1.00 0.00 C ATOM 125 O GLY A 12 20.799 -8.374 5.662 1.00 0.00 O ATOM 0 H GLY A 12 22.420 -7.600 7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 12 21.143 -9.530 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 12 19.703 -8.533 8.520 1.00 0.00 H new ATOM 129 N THR A 13 19.781 -10.246 6.383 1.00 0.00 N ATOM 130 CA THR A 13 19.490 -10.736 5.042 1.00 0.00 C ATOM 131 C THR A 13 18.180 -10.159 4.518 1.00 0.00 C ATOM 132 O THR A 13 18.142 -9.548 3.450 1.00 0.00 O ATOM 133 CB THR A 13 19.411 -12.274 5.009 1.00 0.00 C ATOM 134 OG1 THR A 13 20.596 -12.838 5.583 1.00 0.00 O ATOM 135 CG2 THR A 13 19.243 -12.777 3.584 1.00 0.00 C ATOM 0 H THR A 13 19.457 -10.856 7.134 1.00 0.00 H new ATOM 0 HA THR A 13 20.310 -10.409 4.402 1.00 0.00 H new ATOM 0 HB THR A 13 18.543 -12.584 5.591 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.537 -13.816 5.560 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.190 -13.866 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.325 -12.370 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.094 -12.457 2.982 1.00 0.00 H new ATOM 143 N SER A 14 17.107 -10.357 5.277 1.00 0.00 N ATOM 144 CA SER A 14 15.793 -9.859 4.888 1.00 0.00 C ATOM 145 C SER A 14 15.687 -8.357 5.131 1.00 0.00 C ATOM 146 O SER A 14 15.930 -7.878 6.238 1.00 0.00 O ATOM 147 CB SER A 14 14.696 -10.592 5.663 1.00 0.00 C ATOM 148 OG SER A 14 13.409 -10.210 5.209 1.00 0.00 O ATOM 0 H SER A 14 17.122 -10.859 6.165 1.00 0.00 H new ATOM 0 HA SER A 14 15.662 -10.047 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.821 -11.668 5.547 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.790 -10.373 6.727 1.00 0.00 H new ATOM 0 HG SER A 14 12.726 -10.693 5.719 1.00 0.00 H new ATOM 154 N ALA A 15 15.322 -7.619 4.087 1.00 0.00 N ATOM 155 CA ALA A 15 15.182 -6.172 4.187 1.00 0.00 C ATOM 156 C ALA A 15 13.870 -5.704 3.567 1.00 0.00 C ATOM 157 O ALA A 15 13.285 -6.394 2.734 1.00 0.00 O ATOM 158 CB ALA A 15 16.360 -5.480 3.517 1.00 0.00 C ATOM 0 H ALA A 15 15.118 -8.000 3.163 1.00 0.00 H new ATOM 0 HA ALA A 15 15.171 -5.905 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.242 -4.400 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.286 -5.782 4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.397 -5.762 2.465 1.00 0.00 H new ATOM 164 N ALA A 16 13.412 -4.526 3.981 1.00 0.00 N ATOM 165 CA ALA A 16 12.170 -3.966 3.465 1.00 0.00 C ATOM 166 C ALA A 16 12.441 -2.772 2.556 1.00 0.00 C ATOM 167 O ALA A 16 13.579 -2.316 2.437 1.00 0.00 O ATOM 168 CB ALA A 16 11.257 -3.560 4.613 1.00 0.00 C ATOM 0 H ALA A 16 13.883 -3.942 4.672 1.00 0.00 H new ATOM 0 HA ALA A 16 11.673 -4.735 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.333 -3.143 4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.027 -4.434 5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.756 -2.811 5.228 1.00 0.00 H new ATOM 174 N LEU A 17 11.391 -2.271 1.916 1.00 0.00 N ATOM 175 CA LEU A 17 11.517 -1.129 1.016 1.00 0.00 C ATOM 176 C LEU A 17 10.146 -0.652 0.548 1.00 0.00 C ATOM 177 O LEU A 17 9.468 -1.335 -0.220 1.00 0.00 O ATOM 178 CB LEU A 17 12.380 -1.499 -0.191 1.00 0.00 C ATOM 179 CG LEU A 17 12.330 -0.531 -1.374 1.00 0.00 C ATOM 180 CD1 LEU A 17 11.085 -0.776 -2.212 1.00 0.00 C ATOM 181 CD2 LEU A 17 12.372 0.909 -0.886 1.00 0.00 C ATOM 0 H LEU A 17 10.443 -2.637 2.003 1.00 0.00 H new ATOM 0 HA LEU A 17 11.997 -0.317 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.415 -1.584 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.076 -2.485 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 17 13.204 -0.707 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.067 -0.078 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.097 -1.798 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.197 -0.628 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.336 1.584 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.517 1.098 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.294 1.078 -0.329 1.00 0.00 H new ATOM 193 N ARG A 18 9.745 0.527 1.013 1.00 0.00 N ATOM 194 CA ARG A 18 8.456 1.097 0.641 1.00 0.00 C ATOM 195 C ARG A 18 8.449 1.515 -0.827 1.00 0.00 C ATOM 196 O ARG A 18 9.273 2.322 -1.255 1.00 0.00 O ATOM 197 CB ARG A 18 8.131 2.301 1.527 1.00 0.00 C ATOM 198 CG ARG A 18 8.176 1.992 3.015 1.00 0.00 C ATOM 199 CD ARG A 18 7.041 1.068 3.427 1.00 0.00 C ATOM 200 NE ARG A 18 5.847 1.812 3.821 1.00 0.00 N ATOM 201 CZ ARG A 18 5.659 2.308 5.039 1.00 0.00 C ATOM 202 NH1 ARG A 18 6.583 2.142 5.976 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.546 2.973 5.322 1.00 0.00 N ATOM 0 H ARG A 18 10.295 1.106 1.648 1.00 0.00 H new ATOM 0 HA ARG A 18 7.694 0.332 0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.837 3.103 1.309 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.139 2.672 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.131 1.529 3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.115 2.921 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.797 0.402 2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.367 0.440 4.256 1.00 0.00 H new ATOM 0 HE ARG A 18 5.118 1.959 3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.440 1.633 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.436 2.524 6.910 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.834 3.104 4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.403 3.353 6.258 1.00 0.00 H new ATOM 217 N GLU A 19 7.514 0.960 -1.591 1.00 0.00 N ATOM 218 CA GLU A 19 7.402 1.275 -3.010 1.00 0.00 C ATOM 219 C GLU A 19 6.320 2.324 -3.251 1.00 0.00 C ATOM 220 O GLU A 19 5.378 2.453 -2.468 1.00 0.00 O ATOM 221 CB GLU A 19 7.089 0.011 -3.813 1.00 0.00 C ATOM 222 CG GLU A 19 8.076 -1.120 -3.577 1.00 0.00 C ATOM 223 CD GLU A 19 9.299 -1.022 -4.468 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.644 0.105 -4.882 1.00 0.00 O ATOM 225 OE2 GLU A 19 9.913 -2.072 -4.751 1.00 0.00 O ATOM 0 H GLU A 19 6.824 0.290 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 19 8.358 1.680 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.087 -0.333 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.080 0.258 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.390 -1.111 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.579 -2.074 -3.753 1.00 0.00 H new ATOM 232 N THR A 20 6.463 3.074 -4.340 1.00 0.00 N ATOM 233 CA THR A 20 5.501 4.113 -4.684 1.00 0.00 C ATOM 234 C THR A 20 4.915 3.882 -6.072 1.00 0.00 C ATOM 235 O THR A 20 5.621 3.480 -6.995 1.00 0.00 O ATOM 236 CB THR A 20 6.143 5.512 -4.636 1.00 0.00 C ATOM 237 OG1 THR A 20 7.115 5.640 -5.681 1.00 0.00 O ATOM 238 CG2 THR A 20 6.805 5.758 -3.289 1.00 0.00 C ATOM 0 H THR A 20 7.236 2.981 -4.999 1.00 0.00 H new ATOM 0 HA THR A 20 4.703 4.063 -3.943 1.00 0.00 H new ATOM 0 HB THR A 20 5.357 6.254 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.518 6.533 -5.645 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.251 6.752 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.058 5.688 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.581 5.010 -3.123 1.00 0.00 H new ATOM 246 N GLY A 21 3.618 4.140 -6.213 1.00 0.00 N ATOM 247 CA GLY A 21 2.959 3.955 -7.493 1.00 0.00 C ATOM 248 C GLY A 21 1.803 4.915 -7.694 1.00 0.00 C ATOM 249 O GLY A 21 1.938 6.117 -7.467 1.00 0.00 O ATOM 0 H GLY A 21 3.012 4.474 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.685 4.092 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.593 2.931 -7.565 1.00 0.00 H new ATOM 253 N VAL A 22 0.663 4.383 -8.123 1.00 0.00 N ATOM 254 CA VAL A 22 -0.522 5.201 -8.356 1.00 0.00 C ATOM 255 C VAL A 22 -1.795 4.374 -8.220 1.00 0.00 C ATOM 256 O VAL A 22 -1.846 3.219 -8.643 1.00 0.00 O ATOM 257 CB VAL A 22 -0.490 5.849 -9.753 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.950 4.859 -10.812 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.349 7.105 -9.776 1.00 0.00 C ATOM 0 H VAL A 22 0.535 3.390 -8.316 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.520 5.986 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 22 0.537 6.134 -9.979 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.921 5.335 -11.792 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.290 3.991 -10.810 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.969 4.540 -10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.315 7.551 -10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.379 6.846 -9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.969 7.819 -9.045 1.00 0.00 H new ATOM 269 N ILE A 23 -2.822 4.973 -7.627 1.00 0.00 N ATOM 270 CA ILE A 23 -4.097 4.293 -7.437 1.00 0.00 C ATOM 271 C ILE A 23 -4.825 4.107 -8.764 1.00 0.00 C ATOM 272 O ILE A 23 -5.555 4.990 -9.211 1.00 0.00 O ATOM 273 CB ILE A 23 -5.010 5.068 -6.468 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.242 5.442 -5.199 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.241 4.242 -6.125 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.127 4.307 -4.205 1.00 0.00 C ATOM 0 H ILE A 23 -2.796 5.928 -7.270 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.872 3.316 -7.009 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.337 5.986 -6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.242 5.775 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.738 6.286 -4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.876 4.803 -5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.797 4.021 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.933 3.309 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.571 4.644 -3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.124 3.988 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.604 3.470 -4.667 1.00 0.00 H new ATOM 288 N GLU A 24 -4.621 2.950 -9.387 1.00 0.00 N ATOM 289 CA GLU A 24 -5.258 2.648 -10.663 1.00 0.00 C ATOM 290 C GLU A 24 -6.768 2.500 -10.496 1.00 0.00 C ATOM 291 O GLU A 24 -7.547 3.010 -11.301 1.00 0.00 O ATOM 292 CB GLU A 24 -4.673 1.367 -11.261 1.00 0.00 C ATOM 293 CG GLU A 24 -5.294 0.977 -12.592 1.00 0.00 C ATOM 294 CD GLU A 24 -5.194 2.079 -13.628 1.00 0.00 C ATOM 295 OE1 GLU A 24 -4.154 2.156 -14.315 1.00 0.00 O ATOM 296 OE2 GLU A 24 -6.156 2.866 -13.751 1.00 0.00 O ATOM 0 H GLU A 24 -4.020 2.208 -9.029 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.064 3.479 -11.341 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.599 1.496 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.810 0.550 -10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.800 0.082 -12.970 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.343 0.722 -12.438 1.00 0.00 H new ATOM 303 N LYS A 25 -7.174 1.798 -9.443 1.00 0.00 N ATOM 304 CA LYS A 25 -8.589 1.582 -9.167 1.00 0.00 C ATOM 305 C LYS A 25 -8.873 1.679 -7.671 1.00 0.00 C ATOM 306 O LYS A 25 -7.988 1.451 -6.845 1.00 0.00 O ATOM 307 CB LYS A 25 -9.030 0.214 -9.693 1.00 0.00 C ATOM 308 CG LYS A 25 -10.456 0.193 -10.213 1.00 0.00 C ATOM 309 CD LYS A 25 -11.437 -0.238 -9.136 1.00 0.00 C ATOM 310 CE LYS A 25 -12.876 0.018 -9.557 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.405 -1.076 -10.418 1.00 0.00 N ATOM 0 H LYS A 25 -6.542 1.369 -8.767 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.156 2.361 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.356 -0.093 -10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.933 -0.522 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.726 1.184 -10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.525 -0.487 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.302 -1.299 -8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.226 0.302 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.502 0.117 -8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.934 0.964 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.388 -0.864 -10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.823 -1.154 -11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.374 -1.975 -9.896 1.00 0.00 H new ATOM 325 N LEU A 26 -10.111 2.017 -7.329 1.00 0.00 N ATOM 326 CA LEU A 26 -10.512 2.142 -5.932 1.00 0.00 C ATOM 327 C LEU A 26 -11.967 1.725 -5.743 1.00 0.00 C ATOM 328 O LEU A 26 -12.831 2.063 -6.553 1.00 0.00 O ATOM 329 CB LEU A 26 -10.316 3.581 -5.452 1.00 0.00 C ATOM 330 CG LEU A 26 -10.218 3.777 -3.938 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.771 3.679 -3.480 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.818 5.115 -3.533 1.00 0.00 C ATOM 0 H LEU A 26 -10.855 2.210 -8.000 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.883 1.478 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.408 3.974 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.146 4.183 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.786 2.985 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.721 3.821 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.374 2.697 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.180 4.449 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.739 5.237 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.278 5.921 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.867 5.147 -3.826 1.00 0.00 H new ATOM 344 N LEU A 27 -12.231 0.990 -4.668 1.00 0.00 N ATOM 345 CA LEU A 27 -13.582 0.528 -4.371 1.00 0.00 C ATOM 346 C LEU A 27 -13.936 0.783 -2.909 1.00 0.00 C ATOM 347 O LEU A 27 -13.144 1.353 -2.158 1.00 0.00 O ATOM 348 CB LEU A 27 -13.714 -0.963 -4.687 1.00 0.00 C ATOM 349 CG LEU A 27 -13.384 -1.376 -6.122 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.904 -1.697 -6.258 1.00 0.00 C ATOM 351 CD2 LEU A 27 -14.231 -2.569 -6.541 1.00 0.00 C ATOM 0 H LEU A 27 -11.528 0.701 -3.988 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.276 1.088 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.062 -1.516 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.736 -1.272 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.616 -0.541 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.688 -1.989 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.316 -0.817 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.646 -2.516 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.983 -2.850 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.031 -3.409 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.287 -2.304 -6.483 1.00 0.00 H new ATOM 363 N THR A 28 -15.130 0.355 -2.511 1.00 0.00 N ATOM 364 CA THR A 28 -15.588 0.535 -1.139 1.00 0.00 C ATOM 365 C THR A 28 -14.922 -0.465 -0.201 1.00 0.00 C ATOM 366 O THR A 28 -14.738 -0.191 0.985 1.00 0.00 O ATOM 367 CB THR A 28 -17.117 0.382 -1.033 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.766 1.449 -1.733 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.560 0.379 0.422 1.00 0.00 C ATOM 0 H THR A 28 -15.797 -0.119 -3.120 1.00 0.00 H new ATOM 0 HA THR A 28 -15.310 1.547 -0.843 1.00 0.00 H new ATOM 0 HB THR A 28 -17.397 -0.570 -1.484 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.738 1.343 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.643 0.270 0.472 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.087 -0.452 0.945 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.268 1.317 0.893 1.00 0.00 H new ATOM 377 N SER A 29 -14.561 -1.625 -0.740 1.00 0.00 N ATOM 378 CA SER A 29 -13.917 -2.668 0.051 1.00 0.00 C ATOM 379 C SER A 29 -12.399 -2.516 0.017 1.00 0.00 C ATOM 380 O SER A 29 -11.727 -2.660 1.038 1.00 0.00 O ATOM 381 CB SER A 29 -14.315 -4.051 -0.470 1.00 0.00 C ATOM 382 OG SER A 29 -15.573 -4.448 0.048 1.00 0.00 O ATOM 0 H SER A 29 -14.703 -1.867 -1.721 1.00 0.00 H new ATOM 0 HA SER A 29 -14.252 -2.566 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.355 -4.035 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.556 -4.781 -0.190 1.00 0.00 H new ATOM 0 HG SER A 29 -15.806 -5.334 -0.301 1.00 0.00 H new ATOM 388 N TYR A 30 -11.867 -2.226 -1.165 1.00 0.00 N ATOM 389 CA TYR A 30 -10.428 -2.058 -1.334 1.00 0.00 C ATOM 390 C TYR A 30 -10.115 -1.330 -2.638 1.00 0.00 C ATOM 391 O TYR A 30 -11.017 -0.894 -3.352 1.00 0.00 O ATOM 392 CB TYR A 30 -9.728 -3.417 -1.316 1.00 0.00 C ATOM 393 CG TYR A 30 -10.475 -4.493 -2.071 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.088 -4.218 -3.287 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.569 -5.785 -1.568 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.773 -5.197 -3.980 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.250 -6.771 -2.255 1.00 0.00 C ATOM 398 CZ TYR A 30 -11.850 -6.472 -3.461 1.00 0.00 C ATOM 399 OH TYR A 30 -12.531 -7.451 -4.148 1.00 0.00 O ATOM 0 H TYR A 30 -12.410 -2.102 -2.020 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.058 -1.456 -0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.732 -3.309 -1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.597 -3.735 -0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.028 -3.221 -3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.102 -6.022 -0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.246 -4.965 -4.923 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.312 -7.770 -1.850 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.489 -8.292 -3.646 1.00 0.00 H new ATOM 409 N GLY A 31 -8.827 -1.202 -2.942 1.00 0.00 N ATOM 410 CA GLY A 31 -8.415 -0.527 -4.159 1.00 0.00 C ATOM 411 C GLY A 31 -7.116 -1.075 -4.715 1.00 0.00 C ATOM 412 O GLY A 31 -6.370 -1.757 -4.012 1.00 0.00 O ATOM 0 H GLY A 31 -8.061 -1.554 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.199 -0.628 -4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.300 0.538 -3.959 1.00 0.00 H new ATOM 416 N PHE A 32 -6.844 -0.779 -5.981 1.00 0.00 N ATOM 417 CA PHE A 32 -5.626 -1.249 -6.632 1.00 0.00 C ATOM 418 C PHE A 32 -4.624 -0.110 -6.799 1.00 0.00 C ATOM 419 O PHE A 32 -4.991 1.065 -6.757 1.00 0.00 O ATOM 420 CB PHE A 32 -5.955 -1.858 -7.997 1.00 0.00 C ATOM 421 CG PHE A 32 -6.829 -3.076 -7.915 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.190 -2.955 -7.687 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.290 -4.344 -8.066 1.00 0.00 C ATOM 424 CE1 PHE A 32 -8.997 -4.074 -7.610 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.091 -5.467 -7.991 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.447 -5.332 -7.763 1.00 0.00 C ATOM 0 H PHE A 32 -7.450 -0.216 -6.577 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.177 -2.014 -5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.450 -1.106 -8.612 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.026 -2.121 -8.502 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.626 -1.974 -7.568 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.231 -4.455 -8.244 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.056 -3.965 -7.430 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.658 -6.449 -8.110 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.076 -6.208 -7.705 1.00 0.00 H new ATOM 436 N ILE A 33 -3.358 -0.467 -6.987 1.00 0.00 N ATOM 437 CA ILE A 33 -2.304 0.524 -7.161 1.00 0.00 C ATOM 438 C ILE A 33 -1.321 0.097 -8.245 1.00 0.00 C ATOM 439 O ILE A 33 -0.597 -0.886 -8.088 1.00 0.00 O ATOM 440 CB ILE A 33 -1.532 0.760 -5.849 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.458 1.360 -4.788 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.338 1.671 -6.093 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.054 1.017 -3.371 1.00 0.00 C ATOM 0 H ILE A 33 -3.038 -1.435 -7.023 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.790 1.453 -7.460 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.164 -0.199 -5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.473 2.444 -4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.474 1.008 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.197 1.828 -5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.330 1.208 -6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.685 2.630 -6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.754 1.475 -2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.067 -0.065 -3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.050 1.394 -3.178 1.00 0.00 H new ATOM 455 N GLN A 34 -1.300 0.843 -9.345 1.00 0.00 N ATOM 456 CA GLN A 34 -0.405 0.542 -10.456 1.00 0.00 C ATOM 457 C GLN A 34 1.007 1.041 -10.167 1.00 0.00 C ATOM 458 O GLN A 34 1.301 2.227 -10.324 1.00 0.00 O ATOM 459 CB GLN A 34 -0.929 1.174 -11.746 1.00 0.00 C ATOM 460 CG GLN A 34 0.037 1.059 -12.915 1.00 0.00 C ATOM 461 CD GLN A 34 -0.229 -0.162 -13.774 1.00 0.00 C ATOM 462 OE1 GLN A 34 0.291 -1.308 -13.350 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -0.894 -0.076 -14.806 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.893 1.660 -9.491 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.370 -0.540 -10.579 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.872 0.699 -12.017 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.143 2.227 -11.564 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.036 1.955 -13.531 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.058 1.016 -12.535 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.275 0.826 -15.094 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.065 -0.906 -15.373 1.00 0.00 H new ATOM 472 N CYS A 35 1.877 0.130 -9.746 1.00 0.00 N ATOM 473 CA CYS A 35 3.258 0.478 -9.434 1.00 0.00 C ATOM 474 C CYS A 35 3.862 1.344 -10.535 1.00 0.00 C ATOM 475 O CYS A 35 3.685 1.069 -11.722 1.00 0.00 O ATOM 476 CB CYS A 35 4.095 -0.788 -9.248 1.00 0.00 C ATOM 477 SG CYS A 35 3.359 -2.002 -8.127 1.00 0.00 S ATOM 0 H CYS A 35 1.650 -0.856 -9.613 1.00 0.00 H new ATOM 0 HA CYS A 35 3.262 1.048 -8.505 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.250 -1.255 -10.221 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.078 -0.508 -8.869 1.00 0.00 H new ATOM 0 HG CYS A 35 2.346 -2.572 -8.709 1.00 0.00 H new ATOM 483 N SER A 36 4.575 2.391 -10.133 1.00 0.00 N ATOM 484 CA SER A 36 5.201 3.301 -11.086 1.00 0.00 C ATOM 485 C SER A 36 6.676 2.961 -11.272 1.00 0.00 C ATOM 486 O SER A 36 7.408 3.679 -11.953 1.00 0.00 O ATOM 487 CB SER A 36 5.055 4.748 -10.612 1.00 0.00 C ATOM 488 OG SER A 36 3.706 5.176 -10.687 1.00 0.00 O ATOM 0 H SER A 36 4.734 2.630 -9.154 1.00 0.00 H new ATOM 0 HA SER A 36 4.696 3.188 -12.045 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.411 4.835 -9.585 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.681 5.399 -11.223 1.00 0.00 H new ATOM 0 HG SER A 36 3.639 6.103 -10.377 1.00 0.00 H new ATOM 494 N GLU A 37 7.106 1.861 -10.663 1.00 0.00 N ATOM 495 CA GLU A 37 8.494 1.426 -10.761 1.00 0.00 C ATOM 496 C GLU A 37 8.595 0.090 -11.492 1.00 0.00 C ATOM 497 O GLU A 37 9.523 -0.135 -12.269 1.00 0.00 O ATOM 498 CB GLU A 37 9.114 1.305 -9.367 1.00 0.00 C ATOM 499 CG GLU A 37 8.960 2.558 -8.522 1.00 0.00 C ATOM 500 CD GLU A 37 10.083 2.725 -7.517 1.00 0.00 C ATOM 501 OE1 GLU A 37 10.091 1.990 -6.508 1.00 0.00 O ATOM 502 OE2 GLU A 37 10.954 3.592 -7.740 1.00 0.00 O ATOM 0 H GLU A 37 6.513 1.255 -10.096 1.00 0.00 H new ATOM 0 HA GLU A 37 9.043 2.175 -11.331 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.653 0.466 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.174 1.074 -9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.929 3.430 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.007 2.521 -7.994 1.00 0.00 H new ATOM 509 N ARG A 38 7.635 -0.792 -11.237 1.00 0.00 N ATOM 510 CA ARG A 38 7.616 -2.106 -11.869 1.00 0.00 C ATOM 511 C ARG A 38 6.548 -2.171 -12.956 1.00 0.00 C ATOM 512 O ARG A 38 6.517 -3.108 -13.753 1.00 0.00 O ATOM 513 CB ARG A 38 7.363 -3.194 -10.824 1.00 0.00 C ATOM 514 CG ARG A 38 5.989 -3.111 -10.179 1.00 0.00 C ATOM 515 CD ARG A 38 5.665 -4.371 -9.392 1.00 0.00 C ATOM 516 NE ARG A 38 5.851 -5.579 -10.193 1.00 0.00 N ATOM 517 CZ ARG A 38 5.805 -6.808 -9.691 1.00 0.00 C ATOM 518 NH1 ARG A 38 5.580 -6.991 -8.397 1.00 0.00 N ATOM 519 NH2 ARG A 38 5.984 -7.857 -10.483 1.00 0.00 N ATOM 0 H ARG A 38 6.860 -0.621 -10.597 1.00 0.00 H new ATOM 0 HA ARG A 38 8.589 -2.274 -12.330 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.476 -4.171 -11.294 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.125 -3.124 -10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.949 -2.247 -9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.233 -2.958 -10.949 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.301 -4.420 -8.508 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.634 -4.324 -9.040 1.00 0.00 H new ATOM 0 HE ARG A 38 6.026 -5.473 -11.192 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.442 -6.187 -7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.545 -7.936 -8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.157 -7.720 -11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.948 -8.800 -10.096 1.00 0.00 H new ATOM 533 N GLN A 39 5.674 -1.169 -12.981 1.00 0.00 N ATOM 534 CA GLN A 39 4.604 -1.114 -13.970 1.00 0.00 C ATOM 535 C GLN A 39 3.655 -2.298 -13.812 1.00 0.00 C ATOM 536 O GLN A 39 3.265 -2.928 -14.794 1.00 0.00 O ATOM 537 CB GLN A 39 5.188 -1.099 -15.384 1.00 0.00 C ATOM 538 CG GLN A 39 6.081 0.100 -15.660 1.00 0.00 C ATOM 539 CD GLN A 39 5.313 1.284 -16.214 1.00 0.00 C ATOM 540 OE1 GLN A 39 4.762 1.222 -17.314 1.00 0.00 O ATOM 541 NE2 GLN A 39 5.272 2.372 -15.454 1.00 0.00 N ATOM 0 H GLN A 39 5.686 -0.385 -12.328 1.00 0.00 H new ATOM 0 HA GLN A 39 4.040 -0.195 -13.807 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.761 -2.013 -15.541 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.371 -1.107 -16.106 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.581 0.396 -14.738 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.859 -0.187 -16.367 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.743 2.380 -14.549 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.770 3.200 -15.775 1.00 0.00 H new ATOM 550 N ALA A 40 3.289 -2.594 -12.569 1.00 0.00 N ATOM 551 CA ALA A 40 2.385 -3.701 -12.283 1.00 0.00 C ATOM 552 C ALA A 40 1.196 -3.237 -11.449 1.00 0.00 C ATOM 553 O ALA A 40 1.342 -2.413 -10.546 1.00 0.00 O ATOM 554 CB ALA A 40 3.129 -4.819 -11.568 1.00 0.00 C ATOM 0 H ALA A 40 3.605 -2.083 -11.745 1.00 0.00 H new ATOM 0 HA ALA A 40 2.004 -4.081 -13.231 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.442 -5.639 -11.361 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.942 -5.178 -12.200 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.538 -4.442 -10.630 1.00 0.00 H new ATOM 560 N ARG A 41 0.018 -3.770 -11.758 1.00 0.00 N ATOM 561 CA ARG A 41 -1.197 -3.409 -11.038 1.00 0.00 C ATOM 562 C ARG A 41 -1.306 -4.187 -9.731 1.00 0.00 C ATOM 563 O ARG A 41 -1.662 -5.366 -9.725 1.00 0.00 O ATOM 564 CB ARG A 41 -2.428 -3.674 -11.907 1.00 0.00 C ATOM 565 CG ARG A 41 -2.823 -2.495 -12.781 1.00 0.00 C ATOM 566 CD ARG A 41 -3.528 -2.953 -14.048 1.00 0.00 C ATOM 567 NE ARG A 41 -2.661 -3.772 -14.891 1.00 0.00 N ATOM 568 CZ ARG A 41 -2.924 -4.052 -16.163 1.00 0.00 C ATOM 569 NH1 ARG A 41 -4.023 -3.580 -16.735 1.00 0.00 N ATOM 570 NH2 ARG A 41 -2.087 -4.804 -16.865 1.00 0.00 N ATOM 0 H ARG A 41 -0.120 -4.453 -12.502 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.148 -2.346 -10.804 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.234 -4.538 -12.543 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.268 -3.935 -11.263 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.477 -1.828 -12.220 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.934 -1.922 -13.045 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.418 -3.523 -13.782 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.864 -2.082 -14.611 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.807 -4.150 -14.481 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.669 -3.001 -16.198 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.223 -3.796 -17.712 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.240 -5.168 -16.429 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.290 -5.018 -17.841 1.00 0.00 H new ATOM 584 N LEU A 42 -0.997 -3.520 -8.624 1.00 0.00 N ATOM 585 CA LEU A 42 -1.060 -4.149 -7.309 1.00 0.00 C ATOM 586 C LEU A 42 -2.466 -4.053 -6.726 1.00 0.00 C ATOM 587 O LEU A 42 -3.326 -3.355 -7.264 1.00 0.00 O ATOM 588 CB LEU A 42 -0.056 -3.493 -6.360 1.00 0.00 C ATOM 589 CG LEU A 42 1.338 -4.121 -6.318 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.164 -3.513 -5.196 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.238 -5.631 -6.152 1.00 0.00 C ATOM 0 H LEU A 42 -0.700 -2.544 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.806 -5.203 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.048 -2.445 -6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.472 -3.513 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 42 1.838 -3.912 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.152 -3.972 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.265 -2.440 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.668 -3.690 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.239 -6.061 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.718 -5.861 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.685 -6.053 -6.991 1.00 0.00 H new ATOM 603 N PHE A 43 -2.693 -4.757 -5.622 1.00 0.00 N ATOM 604 CA PHE A 43 -3.995 -4.750 -4.964 1.00 0.00 C ATOM 605 C PHE A 43 -3.854 -4.406 -3.484 1.00 0.00 C ATOM 606 O PHE A 43 -3.396 -5.224 -2.686 1.00 0.00 O ATOM 607 CB PHE A 43 -4.676 -6.111 -5.121 1.00 0.00 C ATOM 608 CG PHE A 43 -5.566 -6.472 -3.966 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.436 -5.538 -3.427 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.534 -7.745 -3.421 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.256 -5.867 -2.364 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.352 -8.080 -2.358 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.215 -7.140 -1.830 1.00 0.00 C ATOM 0 H PHE A 43 -1.992 -5.340 -5.164 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.611 -3.987 -5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.266 -6.110 -6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.912 -6.880 -5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.474 -4.542 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.862 -8.484 -3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.928 -5.129 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.316 -9.076 -1.941 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.857 -7.400 -1.001 1.00 0.00 H new ATOM 623 N PHE A 44 -4.252 -3.190 -3.125 1.00 0.00 N ATOM 624 CA PHE A 44 -4.170 -2.736 -1.742 1.00 0.00 C ATOM 625 C PHE A 44 -5.535 -2.805 -1.065 1.00 0.00 C ATOM 626 O PHE A 44 -6.560 -2.496 -1.675 1.00 0.00 O ATOM 627 CB PHE A 44 -3.631 -1.305 -1.684 1.00 0.00 C ATOM 628 CG PHE A 44 -4.706 -0.257 -1.731 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.154 0.240 -2.944 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.267 0.232 -0.562 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.144 1.204 -2.992 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.257 1.195 -0.604 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.695 1.683 -1.819 1.00 0.00 C ATOM 0 H PHE A 44 -4.635 -2.501 -3.773 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.486 -3.397 -1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.053 -1.180 -0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.946 -1.149 -2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.725 -0.130 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.927 -0.144 0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.486 1.582 -3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.688 1.566 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.467 2.438 -1.852 1.00 0.00 H new ATOM 643 N HIS A 45 -5.542 -3.213 0.200 1.00 0.00 N ATOM 644 CA HIS A 45 -6.781 -3.323 0.962 1.00 0.00 C ATOM 645 C HIS A 45 -7.046 -2.048 1.756 1.00 0.00 C ATOM 646 O HIS A 45 -6.129 -1.467 2.340 1.00 0.00 O ATOM 647 CB HIS A 45 -6.719 -4.523 1.907 1.00 0.00 C ATOM 648 CG HIS A 45 -8.033 -5.222 2.074 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.211 -4.557 2.340 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.351 -6.536 2.011 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.197 -5.431 2.434 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.701 -6.640 2.238 1.00 0.00 N ATOM 0 H HIS A 45 -4.703 -3.473 0.719 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.600 -3.467 0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.984 -5.234 1.530 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.368 -4.189 2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.669 -7.351 1.818 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.232 -5.197 2.636 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.234 -7.509 2.253 1.00 0.00 H new ATOM 661 N CYS A 46 -8.302 -1.617 1.774 1.00 0.00 N ATOM 662 CA CYS A 46 -8.687 -0.409 2.496 1.00 0.00 C ATOM 663 C CYS A 46 -8.183 -0.452 3.935 1.00 0.00 C ATOM 664 O CYS A 46 -8.115 0.575 4.610 1.00 0.00 O ATOM 665 CB CYS A 46 -10.207 -0.243 2.480 1.00 0.00 C ATOM 666 SG CYS A 46 -10.849 0.803 3.807 1.00 0.00 S ATOM 0 H CYS A 46 -9.072 -2.086 1.297 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.230 0.445 1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.505 0.181 1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.670 -1.227 2.551 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.897 1.065 4.652 1.00 0.00 H new ATOM 672 N SER A 47 -7.832 -1.648 4.398 1.00 0.00 N ATOM 673 CA SER A 47 -7.339 -1.826 5.759 1.00 0.00 C ATOM 674 C SER A 47 -5.880 -1.395 5.869 1.00 0.00 C ATOM 675 O SER A 47 -5.445 -0.901 6.909 1.00 0.00 O ATOM 676 CB SER A 47 -7.486 -3.286 6.190 1.00 0.00 C ATOM 677 OG SER A 47 -7.379 -3.416 7.597 1.00 0.00 O ATOM 0 H SER A 47 -7.880 -2.508 3.851 1.00 0.00 H new ATOM 0 HA SER A 47 -7.936 -1.198 6.421 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.450 -3.671 5.858 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.718 -3.890 5.706 1.00 0.00 H new ATOM 0 HG SER A 47 -7.478 -4.358 7.847 1.00 0.00 H new ATOM 683 N GLN A 48 -5.130 -1.586 4.789 1.00 0.00 N ATOM 684 CA GLN A 48 -3.719 -1.219 4.764 1.00 0.00 C ATOM 685 C GLN A 48 -3.545 0.285 4.948 1.00 0.00 C ATOM 686 O GLN A 48 -2.759 0.732 5.784 1.00 0.00 O ATOM 687 CB GLN A 48 -3.078 -1.660 3.447 1.00 0.00 C ATOM 688 CG GLN A 48 -3.395 -3.098 3.068 1.00 0.00 C ATOM 689 CD GLN A 48 -2.868 -4.097 4.078 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.956 -3.796 4.849 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.440 -5.296 4.080 1.00 0.00 N ATOM 0 H GLN A 48 -5.476 -1.993 3.920 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.223 -1.729 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.416 -0.999 2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.997 -1.542 3.521 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.475 -3.216 2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.966 -3.315 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.193 -5.503 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.126 -6.010 4.738 1.00 0.00 H new ATOM 700 N TYR A 49 -4.283 1.062 4.163 1.00 0.00 N ATOM 701 CA TYR A 49 -4.209 2.516 4.238 1.00 0.00 C ATOM 702 C TYR A 49 -4.364 2.996 5.677 1.00 0.00 C ATOM 703 O TYR A 49 -5.292 2.598 6.380 1.00 0.00 O ATOM 704 CB TYR A 49 -5.288 3.149 3.358 1.00 0.00 C ATOM 705 CG TYR A 49 -5.184 4.654 3.261 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.966 5.272 3.009 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.306 5.459 3.420 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.866 6.647 2.921 1.00 0.00 C ATOM 709 CE2 TYR A 49 -6.216 6.835 3.332 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.994 7.424 3.082 1.00 0.00 C ATOM 711 OH TYR A 49 -4.900 8.794 2.993 1.00 0.00 O ATOM 0 H TYR A 49 -4.940 0.709 3.467 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.228 2.823 3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.224 2.723 2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.269 2.886 3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.081 4.667 2.879 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.264 5.001 3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.910 7.111 2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.098 7.446 3.458 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.785 9.192 3.129 1.00 0.00 H new ATOM 721 N ASN A 50 -3.447 3.856 6.109 1.00 0.00 N ATOM 722 CA ASN A 50 -3.480 4.392 7.465 1.00 0.00 C ATOM 723 C ASN A 50 -4.517 5.505 7.585 1.00 0.00 C ATOM 724 O ASN A 50 -5.254 5.578 8.567 1.00 0.00 O ATOM 725 CB ASN A 50 -2.100 4.920 7.862 1.00 0.00 C ATOM 726 CG ASN A 50 -1.856 4.835 9.356 1.00 0.00 C ATOM 727 OD1 ASN A 50 -2.438 5.591 10.135 1.00 0.00 O ATOM 728 ND2 ASN A 50 -0.991 3.914 9.763 1.00 0.00 N ATOM 0 H ASN A 50 -2.672 4.196 5.540 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.760 3.584 8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.332 4.351 7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.004 5.957 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.785 3.811 10.757 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.532 3.309 9.082 1.00 0.00 H new ATOM 735 N GLY A 51 -4.567 6.370 6.577 1.00 0.00 N ATOM 736 CA GLY A 51 -5.516 7.468 6.588 1.00 0.00 C ATOM 737 C GLY A 51 -6.940 7.005 6.354 1.00 0.00 C ATOM 738 O GLY A 51 -7.294 5.874 6.683 1.00 0.00 O ATOM 0 H GLY A 51 -3.967 6.330 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.458 7.985 7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.241 8.190 5.819 1.00 0.00 H new ATOM 742 N ASN A 52 -7.760 7.883 5.785 1.00 0.00 N ATOM 743 CA ASN A 52 -9.155 7.558 5.509 1.00 0.00 C ATOM 744 C ASN A 52 -9.411 7.492 4.006 1.00 0.00 C ATOM 745 O ASN A 52 -9.328 8.502 3.306 1.00 0.00 O ATOM 746 CB ASN A 52 -10.078 8.596 6.150 1.00 0.00 C ATOM 747 CG ASN A 52 -11.428 8.016 6.527 1.00 0.00 C ATOM 748 OD1 ASN A 52 -11.699 6.840 6.286 1.00 0.00 O ATOM 749 ND2 ASN A 52 -12.281 8.841 7.121 1.00 0.00 N ATOM 0 H ASN A 52 -7.483 8.824 5.506 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.366 6.579 5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.599 9.003 7.041 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.223 9.426 5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.204 8.507 7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.013 9.809 7.301 1.00 0.00 H new ATOM 756 N LEU A 53 -9.724 6.297 3.517 1.00 0.00 N ATOM 757 CA LEU A 53 -9.994 6.098 2.097 1.00 0.00 C ATOM 758 C LEU A 53 -10.698 7.313 1.502 1.00 0.00 C ATOM 759 O LEU A 53 -10.464 7.674 0.349 1.00 0.00 O ATOM 760 CB LEU A 53 -10.849 4.846 1.891 1.00 0.00 C ATOM 761 CG LEU A 53 -10.085 3.548 1.627 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.718 3.434 0.156 1.00 0.00 C ATOM 763 CD2 LEU A 53 -8.838 3.477 2.497 1.00 0.00 C ATOM 0 H LEU A 53 -9.797 5.451 4.083 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.041 5.967 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.470 4.705 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.523 5.024 1.053 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.732 2.709 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.175 2.504 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.626 3.438 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.090 4.278 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.307 2.547 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.188 4.322 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.125 3.511 3.548 1.00 0.00 H new ATOM 775 N GLN A 54 -11.560 7.939 2.296 1.00 0.00 N ATOM 776 CA GLN A 54 -12.297 9.115 1.847 1.00 0.00 C ATOM 777 C GLN A 54 -11.375 10.095 1.129 1.00 0.00 C ATOM 778 O GLN A 54 -11.677 10.555 0.028 1.00 0.00 O ATOM 779 CB GLN A 54 -12.970 9.805 3.034 1.00 0.00 C ATOM 780 CG GLN A 54 -14.259 9.133 3.478 1.00 0.00 C ATOM 781 CD GLN A 54 -15.344 9.193 2.420 1.00 0.00 C ATOM 782 OE1 GLN A 54 -16.066 10.184 2.311 1.00 0.00 O ATOM 783 NE2 GLN A 54 -15.463 8.130 1.634 1.00 0.00 N ATOM 0 H GLN A 54 -11.766 7.652 3.253 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.063 8.786 1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.274 9.827 3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.183 10.841 2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.055 8.091 3.725 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.618 9.612 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.842 7.330 1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.175 8.113 0.904 1.00 0.00 H new ATOM 792 N ASP A 55 -10.249 10.410 1.761 1.00 0.00 N ATOM 793 CA ASP A 55 -9.281 11.335 1.183 1.00 0.00 C ATOM 794 C ASP A 55 -8.604 10.720 -0.038 1.00 0.00 C ATOM 795 O ASP A 55 -8.353 11.403 -1.032 1.00 0.00 O ATOM 796 CB ASP A 55 -8.230 11.723 2.223 1.00 0.00 C ATOM 797 CG ASP A 55 -7.287 12.798 1.721 1.00 0.00 C ATOM 798 OD1 ASP A 55 -7.762 13.917 1.435 1.00 0.00 O ATOM 799 OD2 ASP A 55 -6.074 12.521 1.612 1.00 0.00 O ATOM 0 H ASP A 55 -9.984 10.038 2.673 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.816 12.231 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.729 12.075 3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.655 10.840 2.500 1.00 0.00 H new ATOM 804 N LEU A 56 -8.310 9.427 0.043 1.00 0.00 N ATOM 805 CA LEU A 56 -7.660 8.720 -1.055 1.00 0.00 C ATOM 806 C LEU A 56 -8.577 8.644 -2.272 1.00 0.00 C ATOM 807 O LEU A 56 -9.801 8.621 -2.140 1.00 0.00 O ATOM 808 CB LEU A 56 -7.261 7.310 -0.614 1.00 0.00 C ATOM 809 CG LEU A 56 -6.044 6.707 -1.316 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.801 7.539 -1.039 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.833 5.267 -0.874 1.00 0.00 C ATOM 0 H LEU A 56 -8.511 8.847 0.857 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.764 9.275 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.065 7.328 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.112 6.647 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.228 6.713 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.945 7.094 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.953 8.554 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.613 7.565 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.963 4.854 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.671 5.237 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.714 4.677 -1.125 1.00 0.00 H new ATOM 823 N LYS A 57 -7.977 8.603 -3.456 1.00 0.00 N ATOM 824 CA LYS A 57 -8.737 8.526 -4.698 1.00 0.00 C ATOM 825 C LYS A 57 -7.908 7.883 -5.805 1.00 0.00 C ATOM 826 O LYS A 57 -6.722 7.607 -5.625 1.00 0.00 O ATOM 827 CB LYS A 57 -9.190 9.923 -5.130 1.00 0.00 C ATOM 828 CG LYS A 57 -8.102 10.977 -5.015 1.00 0.00 C ATOM 829 CD LYS A 57 -8.488 12.257 -5.738 1.00 0.00 C ATOM 830 CE LYS A 57 -8.441 12.080 -7.248 1.00 0.00 C ATOM 831 NZ LYS A 57 -8.732 13.353 -7.964 1.00 0.00 N ATOM 0 H LYS A 57 -6.965 8.622 -3.582 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.615 7.905 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.536 9.881 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.042 10.224 -4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.914 11.194 -3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.172 10.589 -5.431 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.491 12.558 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.813 13.060 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.456 11.715 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.164 11.321 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.690 13.191 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.682 13.688 -7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.027 14.070 -7.698 1.00 0.00 H new ATOM 845 N VAL A 58 -8.540 7.649 -6.951 1.00 0.00 N ATOM 846 CA VAL A 58 -7.860 7.041 -8.088 1.00 0.00 C ATOM 847 C VAL A 58 -7.102 8.087 -8.898 1.00 0.00 C ATOM 848 O VAL A 58 -7.701 8.878 -9.625 1.00 0.00 O ATOM 849 CB VAL A 58 -8.853 6.313 -9.013 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.191 5.958 -10.335 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.402 5.069 -8.330 1.00 0.00 C ATOM 0 H VAL A 58 -9.522 7.871 -7.116 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.154 6.316 -7.683 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.687 6.983 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.909 5.444 -10.975 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.852 6.869 -10.828 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.337 5.306 -10.151 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.102 4.566 -8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.581 4.393 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.917 5.355 -7.413 1.00 0.00 H new ATOM 861 N GLY A 59 -5.778 8.084 -8.768 1.00 0.00 N ATOM 862 CA GLY A 59 -4.959 9.036 -9.494 1.00 0.00 C ATOM 863 C GLY A 59 -4.088 9.870 -8.576 1.00 0.00 C ATOM 864 O GLY A 59 -3.606 10.935 -8.964 1.00 0.00 O ATOM 0 H GLY A 59 -5.259 7.439 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.327 8.501 -10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.603 9.695 -10.076 1.00 0.00 H new ATOM 868 N ASP A 60 -3.886 9.387 -7.355 1.00 0.00 N ATOM 869 CA ASP A 60 -3.067 10.095 -6.378 1.00 0.00 C ATOM 870 C ASP A 60 -1.893 9.232 -5.925 1.00 0.00 C ATOM 871 O ASP A 60 -2.065 8.060 -5.590 1.00 0.00 O ATOM 872 CB ASP A 60 -3.913 10.502 -5.171 1.00 0.00 C ATOM 873 CG ASP A 60 -4.944 11.558 -5.516 1.00 0.00 C ATOM 874 OD1 ASP A 60 -5.350 11.628 -6.694 1.00 0.00 O ATOM 875 OD2 ASP A 60 -5.345 12.316 -4.607 1.00 0.00 O ATOM 0 H ASP A 60 -4.278 8.508 -7.018 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.672 10.993 -6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.418 9.622 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.260 10.879 -4.384 1.00 0.00 H new ATOM 880 N ASP A 61 -0.702 9.820 -5.919 1.00 0.00 N ATOM 881 CA ASP A 61 0.501 9.105 -5.508 1.00 0.00 C ATOM 882 C ASP A 61 0.376 8.615 -4.068 1.00 0.00 C ATOM 883 O ASP A 61 -0.147 9.320 -3.205 1.00 0.00 O ATOM 884 CB ASP A 61 1.729 10.006 -5.649 1.00 0.00 C ATOM 885 CG ASP A 61 2.319 9.965 -7.044 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.600 10.315 -8.003 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.501 9.582 -7.178 1.00 0.00 O ATOM 0 H ASP A 61 -0.543 10.789 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 61 0.620 8.239 -6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.454 11.032 -5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.486 9.699 -4.928 1.00 0.00 H new ATOM 892 N VAL A 62 0.860 7.403 -3.817 1.00 0.00 N ATOM 893 CA VAL A 62 0.802 6.819 -2.482 1.00 0.00 C ATOM 894 C VAL A 62 1.970 5.867 -2.248 1.00 0.00 C ATOM 895 O VAL A 62 2.495 5.271 -3.188 1.00 0.00 O ATOM 896 CB VAL A 62 -0.518 6.059 -2.258 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.606 7.008 -1.778 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.945 5.347 -3.532 1.00 0.00 C ATOM 0 H VAL A 62 1.296 6.807 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 62 0.861 7.645 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.358 5.307 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.532 6.453 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.299 7.468 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.768 7.784 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.880 4.815 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.088 6.079 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.173 4.636 -3.828 1.00 0.00 H new ATOM 908 N GLU A 63 2.371 5.728 -0.988 1.00 0.00 N ATOM 909 CA GLU A 63 3.477 4.848 -0.632 1.00 0.00 C ATOM 910 C GLU A 63 2.970 3.601 0.088 1.00 0.00 C ATOM 911 O GLU A 63 2.107 3.683 0.962 1.00 0.00 O ATOM 912 CB GLU A 63 4.482 5.588 0.253 1.00 0.00 C ATOM 913 CG GLU A 63 5.852 4.932 0.298 1.00 0.00 C ATOM 914 CD GLU A 63 6.631 5.294 1.548 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.066 5.175 2.655 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.807 5.695 1.418 1.00 0.00 O ATOM 0 H GLU A 63 1.946 6.213 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 63 3.973 4.539 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.590 6.610 -0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.085 5.650 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.734 3.850 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.423 5.231 -0.581 1.00 0.00 H new ATOM 923 N PHE A 64 3.513 2.447 -0.286 1.00 0.00 N ATOM 924 CA PHE A 64 3.116 1.183 0.322 1.00 0.00 C ATOM 925 C PHE A 64 4.285 0.204 0.355 1.00 0.00 C ATOM 926 O PHE A 64 5.369 0.499 -0.148 1.00 0.00 O ATOM 927 CB PHE A 64 1.943 0.569 -0.447 1.00 0.00 C ATOM 928 CG PHE A 64 2.160 0.522 -1.932 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.854 1.616 -2.725 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.669 -0.617 -2.535 1.00 0.00 C ATOM 931 CE1 PHE A 64 2.052 1.576 -4.093 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.870 -0.662 -3.902 1.00 0.00 C ATOM 933 CZ PHE A 64 2.560 0.435 -4.682 1.00 0.00 C ATOM 0 H PHE A 64 4.229 2.361 -1.007 1.00 0.00 H new ATOM 0 HA PHE A 64 2.805 1.384 1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.769 -0.443 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.041 1.144 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.456 2.511 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.911 -1.479 -1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.810 2.436 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.269 -1.555 -4.360 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.715 0.400 -5.750 1.00 0.00 H new ATOM 943 N GLU A 65 4.057 -0.963 0.950 1.00 0.00 N ATOM 944 CA GLU A 65 5.092 -1.985 1.050 1.00 0.00 C ATOM 945 C GLU A 65 4.616 -3.302 0.445 1.00 0.00 C ATOM 946 O GLU A 65 3.589 -3.848 0.849 1.00 0.00 O ATOM 947 CB GLU A 65 5.492 -2.196 2.512 1.00 0.00 C ATOM 948 CG GLU A 65 5.984 -3.602 2.810 1.00 0.00 C ATOM 949 CD GLU A 65 6.841 -3.667 4.060 1.00 0.00 C ATOM 950 OE1 GLU A 65 7.610 -2.713 4.301 1.00 0.00 O ATOM 951 OE2 GLU A 65 6.744 -4.672 4.795 1.00 0.00 O ATOM 0 H GLU A 65 3.165 -1.224 1.370 1.00 0.00 H new ATOM 0 HA GLU A 65 5.962 -1.642 0.490 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.274 -1.483 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.636 -1.977 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.127 -4.266 2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.559 -3.970 1.960 1.00 0.00 H new ATOM 958 N VAL A 66 5.370 -3.808 -0.526 1.00 0.00 N ATOM 959 CA VAL A 66 5.026 -5.061 -1.186 1.00 0.00 C ATOM 960 C VAL A 66 5.294 -6.254 -0.275 1.00 0.00 C ATOM 961 O VAL A 66 6.434 -6.505 0.117 1.00 0.00 O ATOM 962 CB VAL A 66 5.817 -5.241 -2.495 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.465 -6.566 -3.155 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.553 -4.079 -3.441 1.00 0.00 C ATOM 0 H VAL A 66 6.223 -3.369 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 66 3.962 -5.016 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 66 6.881 -5.252 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.034 -6.675 -4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.710 -7.385 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.399 -6.588 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.120 -4.223 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.489 -4.034 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.861 -3.147 -2.967 1.00 0.00 H new ATOM 974 N SER A 67 4.237 -6.988 0.057 1.00 0.00 N ATOM 975 CA SER A 67 4.357 -8.153 0.925 1.00 0.00 C ATOM 976 C SER A 67 3.718 -9.379 0.280 1.00 0.00 C ATOM 977 O SER A 67 3.038 -9.274 -0.742 1.00 0.00 O ATOM 978 CB SER A 67 3.703 -7.876 2.280 1.00 0.00 C ATOM 979 OG SER A 67 4.635 -7.323 3.192 1.00 0.00 O ATOM 0 H SER A 67 3.287 -6.796 -0.262 1.00 0.00 H new ATOM 0 HA SER A 67 5.417 -8.355 1.076 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.866 -7.190 2.150 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.296 -8.802 2.687 1.00 0.00 H new ATOM 0 HG SER A 67 4.192 -7.153 4.050 1.00 0.00 H new ATOM 985 N SER A 68 3.941 -10.542 0.884 1.00 0.00 N ATOM 986 CA SER A 68 3.390 -11.790 0.367 1.00 0.00 C ATOM 987 C SER A 68 2.185 -12.234 1.191 1.00 0.00 C ATOM 988 O SER A 68 2.253 -12.314 2.418 1.00 0.00 O ATOM 989 CB SER A 68 4.459 -12.884 0.374 1.00 0.00 C ATOM 990 OG SER A 68 5.390 -12.682 1.423 1.00 0.00 O ATOM 0 H SER A 68 4.499 -10.646 1.731 1.00 0.00 H new ATOM 0 HA SER A 68 3.063 -11.618 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.985 -13.859 0.487 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.981 -12.893 -0.583 1.00 0.00 H new ATOM 0 HG SER A 68 6.061 -13.396 1.406 1.00 0.00 H new ATOM 996 N ASP A 69 1.083 -12.522 0.507 1.00 0.00 N ATOM 997 CA ASP A 69 -0.138 -12.960 1.174 1.00 0.00 C ATOM 998 C ASP A 69 0.066 -14.314 1.847 1.00 0.00 C ATOM 999 O ASP A 69 1.110 -14.947 1.687 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.290 -13.043 0.171 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.647 -12.979 0.843 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.901 -12.001 1.578 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.457 -13.906 0.634 1.00 0.00 O ATOM 0 H ASP A 69 1.010 -12.460 -0.509 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.387 -12.227 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.204 -12.226 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.211 -13.972 -0.393 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.938 -14.752 2.600 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.868 -16.029 3.299 1.00 0.00 C ATOM 1010 C ARG A 70 -1.821 -17.044 2.674 1.00 0.00 C ATOM 1011 O ARG A 70 -1.925 -18.179 3.137 1.00 0.00 O ATOM 1012 CB ARG A 70 -1.203 -15.843 4.780 1.00 0.00 C ATOM 1013 CG ARG A 70 -0.534 -14.632 5.409 1.00 0.00 C ATOM 1014 CD ARG A 70 0.960 -14.852 5.590 1.00 0.00 C ATOM 1015 NE ARG A 70 1.708 -14.557 4.371 1.00 0.00 N ATOM 1016 CZ ARG A 70 2.920 -15.039 4.118 1.00 0.00 C ATOM 1017 NH1 ARG A 70 3.516 -15.836 4.994 1.00 0.00 N ATOM 1018 NH2 ARG A 70 3.537 -14.726 2.986 1.00 0.00 N ATOM 0 H ARG A 70 -1.809 -14.241 2.741 1.00 0.00 H new ATOM 0 HA ARG A 70 0.150 -16.409 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.283 -15.749 4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.904 -16.737 5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.701 -13.756 4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.992 -14.423 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.324 -14.220 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.141 -15.885 5.885 1.00 0.00 H new ATOM 0 HE ARG A 70 1.277 -13.948 3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.044 -16.080 5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.446 -16.205 4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.081 -14.115 2.309 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.467 -15.097 2.793 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.514 -16.626 1.620 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.459 -17.497 0.933 1.00 0.00 C ATOM 1034 C ARG A 71 -3.064 -17.683 -0.529 1.00 0.00 C ATOM 1035 O ARG A 71 -3.038 -18.803 -1.040 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.873 -16.920 1.020 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.293 -16.549 2.433 1.00 0.00 C ATOM 1038 CD ARG A 71 -5.711 -17.775 3.230 1.00 0.00 C ATOM 1039 NE ARG A 71 -6.780 -18.519 2.570 1.00 0.00 N ATOM 1040 CZ ARG A 71 -8.063 -18.183 2.641 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -8.434 -17.119 3.340 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -8.977 -18.910 2.013 1.00 0.00 N ATOM 0 H ARG A 71 -2.439 -15.689 1.223 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.440 -18.470 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.935 -16.035 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.579 -17.648 0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.468 -16.048 2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.120 -15.840 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.849 -18.427 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.043 -17.467 4.222 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.527 -19.343 2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.734 -16.557 3.824 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.420 -16.862 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.695 -19.729 1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.962 -18.650 2.069 1.00 0.00 H new ATOM 1056 N THR A 72 -2.757 -16.576 -1.199 1.00 0.00 N ATOM 1057 CA THR A 72 -2.364 -16.616 -2.602 1.00 0.00 C ATOM 1058 C THR A 72 -0.863 -16.402 -2.760 1.00 0.00 C ATOM 1059 O THR A 72 -0.298 -16.659 -3.821 1.00 0.00 O ATOM 1060 CB THR A 72 -3.113 -15.551 -3.425 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.741 -14.240 -2.984 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.618 -15.727 -3.297 1.00 0.00 C ATOM 0 H THR A 72 -2.773 -15.641 -0.792 1.00 0.00 H new ATOM 0 HA THR A 72 -2.627 -17.605 -2.976 1.00 0.00 H new ATOM 0 HB THR A 72 -2.837 -15.673 -4.472 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.220 -13.569 -3.513 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.125 -14.963 -3.887 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.901 -16.715 -3.661 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.908 -15.629 -2.251 1.00 0.00 H new ATOM 1070 N GLY A 73 -0.223 -15.928 -1.695 1.00 0.00 N ATOM 1071 CA GLY A 73 1.208 -15.688 -1.736 1.00 0.00 C ATOM 1072 C GLY A 73 1.594 -14.668 -2.789 1.00 0.00 C ATOM 1073 O GLY A 73 2.758 -14.579 -3.181 1.00 0.00 O ATOM 0 H GLY A 73 -0.670 -15.706 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.543 -15.342 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.725 -16.626 -1.936 1.00 0.00 H new ATOM 1077 N LYS A 74 0.616 -13.898 -3.251 1.00 0.00 N ATOM 1078 CA LYS A 74 0.858 -12.879 -4.266 1.00 0.00 C ATOM 1079 C LYS A 74 1.335 -11.578 -3.628 1.00 0.00 C ATOM 1080 O LYS A 74 1.024 -11.272 -2.477 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.415 -12.624 -5.077 1.00 0.00 C ATOM 1082 CG LYS A 74 -0.988 -13.876 -5.719 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.411 -14.105 -7.105 1.00 0.00 C ATOM 1084 CE LYS A 74 -1.223 -15.128 -7.885 1.00 0.00 C ATOM 1085 NZ LYS A 74 -0.574 -15.484 -9.177 1.00 0.00 N ATOM 0 H LYS A 74 -0.353 -13.960 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 74 1.639 -13.245 -4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.169 -12.183 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.199 -11.893 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.776 -14.739 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.072 -13.788 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.390 -13.162 -7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.620 -14.447 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.349 -16.027 -7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.220 -14.731 -8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.158 -16.183 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.476 -14.631 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.367 -15.887 -8.993 1.00 0.00 H new ATOM 1099 N PRO A 75 2.109 -10.792 -4.392 1.00 0.00 N ATOM 1100 CA PRO A 75 2.644 -9.511 -3.923 1.00 0.00 C ATOM 1101 C PRO A 75 1.557 -8.453 -3.763 1.00 0.00 C ATOM 1102 O PRO A 75 1.162 -7.804 -4.732 1.00 0.00 O ATOM 1103 CB PRO A 75 3.623 -9.109 -5.028 1.00 0.00 C ATOM 1104 CG PRO A 75 3.121 -9.801 -6.249 1.00 0.00 C ATOM 1105 CD PRO A 75 2.520 -11.094 -5.774 1.00 0.00 C ATOM 0 HA PRO A 75 3.104 -9.597 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.643 -8.028 -5.165 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.640 -9.418 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.379 -9.192 -6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.931 -9.983 -6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.671 -11.393 -6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.242 -11.910 -5.809 1.00 0.00 H new ATOM 1113 N ILE A 76 1.079 -8.284 -2.535 1.00 0.00 N ATOM 1114 CA ILE A 76 0.040 -7.303 -2.249 1.00 0.00 C ATOM 1115 C ILE A 76 0.613 -6.088 -1.526 1.00 0.00 C ATOM 1116 O ILE A 76 1.743 -6.120 -1.038 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.087 -7.910 -1.393 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.514 -8.514 -0.109 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.847 -8.962 -2.187 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.503 -8.557 1.034 1.00 0.00 C ATOM 0 H ILE A 76 1.395 -8.814 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.371 -6.991 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.783 -7.117 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.168 -9.526 -0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.358 -7.935 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.640 -9.382 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.283 -8.503 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.163 -9.756 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.027 -8.997 1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.831 -7.545 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.364 -9.160 0.747 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.173 -5.019 -1.461 1.00 0.00 N ATOM 1133 CA ALA A 77 0.254 -3.796 -0.794 1.00 0.00 C ATOM 1134 C ALA A 77 -0.233 -3.758 0.650 1.00 0.00 C ATOM 1135 O ALA A 77 -1.322 -4.239 0.961 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.248 -2.577 -1.555 1.00 0.00 C ATOM 0 H ALA A 77 -1.110 -4.975 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 77 1.344 -3.780 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.078 -1.670 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.155 -2.589 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.337 -2.598 -1.597 1.00 0.00 H new ATOM 1142 N VAL A 78 0.582 -3.183 1.530 1.00 0.00 N ATOM 1143 CA VAL A 78 0.233 -3.083 2.942 1.00 0.00 C ATOM 1144 C VAL A 78 0.746 -1.779 3.543 1.00 0.00 C ATOM 1145 O VAL A 78 1.615 -1.119 2.973 1.00 0.00 O ATOM 1146 CB VAL A 78 0.804 -4.266 3.747 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.161 -5.572 3.305 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.316 -4.329 3.599 1.00 0.00 C ATOM 0 H VAL A 78 1.488 -2.780 1.290 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.855 -3.105 3.002 1.00 0.00 H new ATOM 0 HB VAL A 78 0.571 -4.113 4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.577 -6.396 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.916 -5.521 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.361 -5.736 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.703 -5.170 4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.574 -4.459 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.757 -3.403 3.969 1.00 0.00 H new ATOM 1158 N LYS A 79 0.203 -1.412 4.699 1.00 0.00 N ATOM 1159 CA LYS A 79 0.606 -0.188 5.380 1.00 0.00 C ATOM 1160 C LYS A 79 0.712 0.973 4.396 1.00 0.00 C ATOM 1161 O LYS A 79 1.727 1.668 4.348 1.00 0.00 O ATOM 1162 CB LYS A 79 1.946 -0.393 6.090 1.00 0.00 C ATOM 1163 CG LYS A 79 1.974 -1.611 6.997 1.00 0.00 C ATOM 1164 CD LYS A 79 1.068 -1.428 8.204 1.00 0.00 C ATOM 1165 CE LYS A 79 0.510 -2.758 8.688 1.00 0.00 C ATOM 1166 NZ LYS A 79 -0.200 -2.620 9.990 1.00 0.00 N ATOM 0 H LYS A 79 -0.518 -1.946 5.184 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.157 0.055 6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.733 -0.489 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.174 0.494 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.661 -2.491 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.995 -1.793 7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.626 -0.951 9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.247 -0.760 7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.176 -3.158 7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.323 -3.477 8.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.566 -3.548 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.460 -2.262 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.991 -1.953 9.885 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.342 1.177 3.614 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.368 2.256 2.632 1.00 0.00 C ATOM 1182 C LEU A 80 -0.316 3.618 3.316 1.00 0.00 C ATOM 1183 O LEU A 80 -0.773 3.773 4.449 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.626 2.154 1.767 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.422 2.330 0.262 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.319 0.977 -0.424 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.555 3.149 -0.338 1.00 0.00 C ATOM 0 H LEU A 80 -1.190 0.610 3.640 1.00 0.00 H new ATOM 0 HA LEU A 80 0.512 2.157 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.083 1.180 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.338 2.906 2.107 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.488 2.868 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.174 1.122 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.473 0.425 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.236 0.413 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.393 3.264 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.503 2.639 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.582 4.132 0.132 1.00 0.00 H new ATOM 1199 N VAL A 81 0.242 4.603 2.621 1.00 0.00 N ATOM 1200 CA VAL A 81 0.350 5.953 3.160 1.00 0.00 C ATOM 1201 C VAL A 81 0.580 6.972 2.049 1.00 0.00 C ATOM 1202 O VAL A 81 1.589 6.923 1.345 1.00 0.00 O ATOM 1203 CB VAL A 81 1.496 6.059 4.184 1.00 0.00 C ATOM 1204 CG1 VAL A 81 1.102 5.400 5.497 1.00 0.00 C ATOM 1205 CG2 VAL A 81 2.767 5.435 3.626 1.00 0.00 C ATOM 0 H VAL A 81 0.627 4.492 1.683 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.594 6.171 3.659 1.00 0.00 H new ATOM 0 HB VAL A 81 1.690 7.114 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.924 5.485 6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.219 5.895 5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.880 4.347 5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.567 5.518 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.588 4.383 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.058 5.956 2.714 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.362 7.896 1.897 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.263 8.929 0.873 1.00 0.00 C ATOM 1217 C LYS A 82 1.035 9.717 1.019 1.00 0.00 C ATOM 1218 O LYS A 82 1.357 10.207 2.102 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.460 9.879 0.960 1.00 0.00 C ATOM 1220 CG LYS A 82 -1.793 10.559 -0.357 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.266 10.923 -0.440 1.00 0.00 C ATOM 1222 CE LYS A 82 -3.523 11.965 -1.518 1.00 0.00 C ATOM 1223 NZ LYS A 82 -3.099 13.326 -1.087 1.00 0.00 N ATOM 0 H LYS A 82 -1.204 7.951 2.471 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.264 8.440 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.332 9.321 1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.254 10.641 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.188 11.459 -0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.533 9.899 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.852 10.028 -0.651 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.602 11.305 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.987 11.688 -2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.584 11.977 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.427 14.028 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.512 13.540 -0.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.062 13.362 -1.022 1.00 0.00 H new ATOM 1237 N ILE A 83 1.776 9.836 -0.078 1.00 0.00 N ATOM 1238 CA ILE A 83 3.038 10.566 -0.072 1.00 0.00 C ATOM 1239 C ILE A 83 2.816 12.044 0.232 1.00 0.00 C ATOM 1240 O ILE A 83 3.304 12.561 1.237 1.00 0.00 O ATOM 1241 CB ILE A 83 3.771 10.435 -1.420 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.655 9.005 -1.952 1.00 0.00 C ATOM 1243 CG2 ILE A 83 5.231 10.833 -1.270 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.723 8.647 -2.961 1.00 0.00 C ATOM 0 H ILE A 83 1.524 9.436 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 83 3.654 10.125 0.711 1.00 0.00 H new ATOM 0 HB ILE A 83 3.303 11.109 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.710 8.309 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.675 8.875 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.735 10.735 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.293 11.867 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.712 10.182 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.579 7.619 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.655 9.319 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.706 8.744 -2.500 1.00 0.00 H new ATOM 1256 N SER A 84 2.074 12.717 -0.641 1.00 0.00 N ATOM 1257 CA SER A 84 1.789 14.137 -0.468 1.00 0.00 C ATOM 1258 C SER A 84 1.110 14.394 0.874 1.00 0.00 C ATOM 1259 O SER A 84 0.730 13.460 1.580 1.00 0.00 O ATOM 1260 CB SER A 84 0.902 14.643 -1.606 1.00 0.00 C ATOM 1261 OG SER A 84 1.127 16.020 -1.855 1.00 0.00 O ATOM 0 H SER A 84 1.659 12.302 -1.475 1.00 0.00 H new ATOM 0 HA SER A 84 2.735 14.678 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.103 14.069 -2.511 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.146 14.483 -1.353 1.00 0.00 H new ATOM 0 HG SER A 84 0.549 16.319 -2.588 1.00 0.00 H new ATOM 1267 N GLY A 85 0.961 15.669 1.221 1.00 0.00 N ATOM 1268 CA GLY A 85 0.328 16.028 2.476 1.00 0.00 C ATOM 1269 C GLY A 85 0.892 17.306 3.065 1.00 0.00 C ATOM 1270 O GLY A 85 1.596 17.292 4.075 1.00 0.00 O ATOM 0 H GLY A 85 1.268 16.460 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.744 16.147 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.457 15.215 3.190 1.00 0.00 H new ATOM 1274 N PRO A 86 0.581 18.444 2.425 1.00 0.00 N ATOM 1275 CA PRO A 86 1.052 19.757 2.873 1.00 0.00 C ATOM 1276 C PRO A 86 0.394 20.196 4.177 1.00 0.00 C ATOM 1277 O PRO A 86 -0.775 20.582 4.194 1.00 0.00 O ATOM 1278 CB PRO A 86 0.646 20.689 1.729 1.00 0.00 C ATOM 1279 CG PRO A 86 -0.511 20.010 1.080 1.00 0.00 C ATOM 1280 CD PRO A 86 -0.254 18.535 1.216 1.00 0.00 C ATOM 0 HA PRO A 86 2.122 19.756 3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.368 21.675 2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.466 20.833 1.026 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.448 20.289 1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.594 20.297 0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.182 17.974 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.259 18.134 0.342 1.00 0.00 H new ATOM 1288 N SER A 87 1.151 20.133 5.268 1.00 0.00 N ATOM 1289 CA SER A 87 0.640 20.521 6.577 1.00 0.00 C ATOM 1290 C SER A 87 0.761 22.027 6.783 1.00 0.00 C ATOM 1291 O SER A 87 1.396 22.724 5.992 1.00 0.00 O ATOM 1292 CB SER A 87 1.395 19.781 7.683 1.00 0.00 C ATOM 1293 OG SER A 87 2.782 20.063 7.629 1.00 0.00 O ATOM 0 H SER A 87 2.121 19.817 5.271 1.00 0.00 H new ATOM 0 HA SER A 87 -0.415 20.249 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.999 20.072 8.656 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.235 18.708 7.582 1.00 0.00 H new ATOM 0 HG SER A 87 3.242 19.580 8.347 1.00 0.00 H new ATOM 1299 N SER A 88 0.146 22.523 7.853 1.00 0.00 N ATOM 1300 CA SER A 88 0.181 23.948 8.163 1.00 0.00 C ATOM 1301 C SER A 88 0.999 24.209 9.424 1.00 0.00 C ATOM 1302 O SER A 88 1.245 23.302 10.217 1.00 0.00 O ATOM 1303 CB SER A 88 -1.239 24.487 8.340 1.00 0.00 C ATOM 1304 OG SER A 88 -1.262 25.902 8.257 1.00 0.00 O ATOM 0 H SER A 88 -0.382 21.959 8.519 1.00 0.00 H new ATOM 0 HA SER A 88 0.656 24.466 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.890 24.064 7.575 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.634 24.170 9.305 1.00 0.00 H new ATOM 0 HG SER A 88 -2.181 26.222 8.372 1.00 0.00 H new ATOM 1310 N GLY A 89 1.416 25.459 9.602 1.00 0.00 N ATOM 1311 CA GLY A 89 2.201 25.819 10.768 1.00 0.00 C ATOM 1312 C GLY A 89 1.778 25.059 12.010 1.00 0.00 C ATOM 1313 O GLY A 89 1.966 25.534 13.130 1.00 0.00 O ATOM 0 H GLY A 89 1.224 26.228 8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.254 25.623 10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.105 26.889 10.950 1.00 0.00 H new TER 1317 GLY A 89