USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 84:sc= 0.0307 USER MOD Set 1.2: A 105 GLN : amide:sc= 0.644 X(o=0.68,f=0.19) USER MOD Set 2.1: A 97 HIS : no HD1:sc= 1.04 K(o=2.3,f=-3!) USER MOD Set 2.2: A 99 SER OG : rot -98:sc= 1.29 USER MOD Set 3.1: A 67 HIS : no HD1:sc= 0.524 K(o=-0.19,f=-5.7!) USER MOD Set 3.2: A 68 GLN : amide:sc= -0.712 K(o=-0.19,f=-3.6!) USER MOD Set 4.1: A 61 SER OG : rot -139:sc= 1.2 USER MOD Set 4.2: A 95 SER OG : rot 92:sc= 1.78 USER MOD Set 5.1: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 86 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.8) USER MOD Set 6.1: A 50 ASN : amide:sc= 0.454 X(o=1.1,f=1.2) USER MOD Set 6.2: A 82 SER OG : rot 180:sc= 0.649 USER MOD Set 7.1: A 44 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0) USER MOD Set 7.2: A 122 SER OG : rot -150:sc= -0.129 USER MOD Set 7.3: A 123 SER OG : rot -120:sc= 0.871 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.141 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00566 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0.605 (180deg=0.562) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 1.21 (180deg=1.13) USER MOD Single : A 30 LYS NZ :NH3+ -127:sc= 0.108 (180deg=0) USER MOD Single : A 31 MET CE :methyl 178:sc= -0.394 (180deg=-0.429) USER MOD Single : A 33 GLN : amide:sc= -0.0891 X(o=-0.089,f=-0.33) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.538 K(o=0.54,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 92:sc= 0.0327 USER MOD Single : A 72 THR OG1 : rot 98:sc= 1.32 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.527 F(o=-1.8,f=-0.53) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -60:sc= 0.896 USER MOD Single : A 119 SER OG : rot 1:sc= 0.0691 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.428 9.079 -3.684 1.00 0.00 N ATOM 2 CA GLY A 1 33.363 10.358 -4.408 1.00 0.00 C ATOM 3 C GLY A 1 32.391 11.274 -3.689 1.00 0.00 C ATOM 4 O GLY A 1 32.214 11.117 -2.485 1.00 0.00 O ATOM 0 H1 GLY A 1 34.417 8.869 -3.438 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.861 9.143 -2.814 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.052 8.319 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.351 10.817 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.039 10.195 -5.436 1.00 0.00 H new ATOM 8 N SER A 2 31.805 12.240 -4.394 1.00 0.00 N ATOM 9 CA SER A 2 30.918 13.261 -3.838 1.00 0.00 C ATOM 10 C SER A 2 29.439 13.016 -4.183 1.00 0.00 C ATOM 11 O SER A 2 28.579 13.800 -3.779 1.00 0.00 O ATOM 12 CB SER A 2 31.408 14.630 -4.340 1.00 0.00 C ATOM 13 OG SER A 2 31.886 14.546 -5.678 1.00 0.00 O ATOM 0 H SER A 2 31.939 12.337 -5.401 1.00 0.00 H new ATOM 0 HA SER A 2 30.960 13.223 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.594 15.353 -4.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.202 14.996 -3.689 1.00 0.00 H new ATOM 0 HG SER A 2 32.190 15.430 -5.973 1.00 0.00 H new ATOM 19 N SER A 3 29.138 11.960 -4.941 1.00 0.00 N ATOM 20 CA SER A 3 27.801 11.607 -5.392 1.00 0.00 C ATOM 21 C SER A 3 26.862 11.276 -4.227 1.00 0.00 C ATOM 22 O SER A 3 27.319 10.805 -3.182 1.00 0.00 O ATOM 23 CB SER A 3 27.944 10.379 -6.299 1.00 0.00 C ATOM 24 OG SER A 3 28.853 10.634 -7.356 1.00 0.00 O ATOM 0 H SER A 3 29.849 11.306 -5.267 1.00 0.00 H new ATOM 0 HA SER A 3 27.363 12.456 -5.917 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.291 9.528 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.971 10.109 -6.708 1.00 0.00 H new ATOM 0 HG SER A 3 28.930 9.837 -7.921 1.00 0.00 H new ATOM 30 N GLY A 4 25.552 11.420 -4.450 1.00 0.00 N ATOM 31 CA GLY A 4 24.517 10.816 -3.619 1.00 0.00 C ATOM 32 C GLY A 4 24.476 11.311 -2.173 1.00 0.00 C ATOM 33 O GLY A 4 24.040 10.550 -1.308 1.00 0.00 O ATOM 0 H GLY A 4 25.180 11.968 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.547 11.005 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.662 9.736 -3.613 1.00 0.00 H new ATOM 37 N SER A 5 24.943 12.527 -1.883 1.00 0.00 N ATOM 38 CA SER A 5 25.080 13.039 -0.527 1.00 0.00 C ATOM 39 C SER A 5 23.818 13.827 -0.133 1.00 0.00 C ATOM 40 O SER A 5 22.823 13.227 0.285 1.00 0.00 O ATOM 41 CB SER A 5 26.402 13.822 -0.438 1.00 0.00 C ATOM 42 OG SER A 5 26.699 14.188 0.896 1.00 0.00 O ATOM 0 H SER A 5 25.240 13.191 -2.598 1.00 0.00 H new ATOM 0 HA SER A 5 25.146 12.240 0.211 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.213 13.215 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.338 14.717 -1.056 1.00 0.00 H new ATOM 0 HG SER A 5 27.545 14.682 0.919 1.00 0.00 H new ATOM 48 N SER A 6 23.834 15.158 -0.247 1.00 0.00 N ATOM 49 CA SER A 6 22.780 16.048 0.228 1.00 0.00 C ATOM 50 C SER A 6 21.458 15.760 -0.488 1.00 0.00 C ATOM 51 O SER A 6 21.459 15.446 -1.679 1.00 0.00 O ATOM 52 CB SER A 6 23.225 17.493 -0.020 1.00 0.00 C ATOM 53 OG SER A 6 24.545 17.688 0.463 1.00 0.00 O ATOM 0 H SER A 6 24.607 15.658 -0.687 1.00 0.00 H new ATOM 0 HA SER A 6 22.614 15.886 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 6 23.183 17.716 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.542 18.182 0.477 1.00 0.00 H new ATOM 0 HG SER A 6 24.820 18.614 0.298 1.00 0.00 H new ATOM 59 N GLY A 7 20.328 15.878 0.205 1.00 0.00 N ATOM 60 CA GLY A 7 19.027 15.535 -0.346 1.00 0.00 C ATOM 61 C GLY A 7 17.889 16.011 0.547 1.00 0.00 C ATOM 62 O GLY A 7 18.139 16.624 1.588 1.00 0.00 O ATOM 0 H GLY A 7 20.293 16.215 1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.923 15.980 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.960 14.455 -0.474 1.00 0.00 H new ATOM 66 N THR A 8 16.648 15.717 0.158 1.00 0.00 N ATOM 67 CA THR A 8 15.446 16.081 0.894 1.00 0.00 C ATOM 68 C THR A 8 14.671 14.812 1.276 1.00 0.00 C ATOM 69 O THR A 8 14.239 14.024 0.425 1.00 0.00 O ATOM 70 CB THR A 8 14.640 17.156 0.129 1.00 0.00 C ATOM 71 OG1 THR A 8 13.486 17.521 0.860 1.00 0.00 O ATOM 72 CG2 THR A 8 14.214 16.758 -1.288 1.00 0.00 C ATOM 0 H THR A 8 16.450 15.205 -0.702 1.00 0.00 H new ATOM 0 HA THR A 8 15.698 16.561 1.840 1.00 0.00 H new ATOM 0 HB THR A 8 15.329 17.994 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.987 18.203 0.364 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.655 17.576 -1.743 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.099 16.546 -1.888 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.585 15.869 -1.243 1.00 0.00 H new ATOM 80 N VAL A 9 14.494 14.625 2.583 1.00 0.00 N ATOM 81 CA VAL A 9 13.533 13.717 3.192 1.00 0.00 C ATOM 82 C VAL A 9 12.528 14.591 3.938 1.00 0.00 C ATOM 83 O VAL A 9 12.476 14.635 5.167 1.00 0.00 O ATOM 84 CB VAL A 9 14.228 12.642 4.053 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.814 11.560 3.151 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.358 13.174 4.946 1.00 0.00 C ATOM 0 H VAL A 9 15.046 15.129 3.277 1.00 0.00 H new ATOM 0 HA VAL A 9 12.998 13.126 2.449 1.00 0.00 H new ATOM 0 HB VAL A 9 13.451 12.254 4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.304 10.802 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.015 11.097 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.542 12.006 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 9 15.790 12.351 5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.129 13.629 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.958 13.920 5.633 1.00 0.00 H new ATOM 96 N ALA A 10 11.746 15.339 3.158 1.00 0.00 N ATOM 97 CA ALA A 10 10.709 16.211 3.676 1.00 0.00 C ATOM 98 C ALA A 10 9.726 15.392 4.522 1.00 0.00 C ATOM 99 O ALA A 10 9.391 14.261 4.148 1.00 0.00 O ATOM 100 CB ALA A 10 10.026 16.895 2.489 1.00 0.00 C ATOM 0 H ALA A 10 11.821 15.351 2.141 1.00 0.00 H new ATOM 0 HA ALA A 10 11.125 16.981 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.241 17.557 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.761 17.476 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.589 16.140 1.836 1.00 0.00 H new ATOM 106 N SER A 11 9.251 15.947 5.638 1.00 0.00 N ATOM 107 CA SER A 11 8.368 15.246 6.564 1.00 0.00 C ATOM 108 C SER A 11 7.267 16.178 7.072 1.00 0.00 C ATOM 109 O SER A 11 7.498 17.368 7.338 1.00 0.00 O ATOM 110 CB SER A 11 9.196 14.611 7.693 1.00 0.00 C ATOM 111 OG SER A 11 10.052 15.555 8.312 1.00 0.00 O ATOM 0 H SER A 11 9.471 16.901 5.924 1.00 0.00 H new ATOM 0 HA SER A 11 7.859 14.433 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.526 14.184 8.439 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.790 13.790 7.291 1.00 0.00 H new ATOM 0 HG SER A 11 10.561 15.116 9.025 1.00 0.00 H new ATOM 117 N ARG A 12 6.058 15.627 7.206 1.00 0.00 N ATOM 118 CA ARG A 12 4.829 16.334 7.544 1.00 0.00 C ATOM 119 C ARG A 12 4.201 15.651 8.738 1.00 0.00 C ATOM 120 O ARG A 12 3.625 14.566 8.606 1.00 0.00 O ATOM 121 CB ARG A 12 3.886 16.355 6.335 1.00 0.00 C ATOM 122 CG ARG A 12 4.355 17.431 5.353 1.00 0.00 C ATOM 123 CD ARG A 12 3.684 17.317 3.986 1.00 0.00 C ATOM 124 NE ARG A 12 2.220 17.371 4.047 1.00 0.00 N ATOM 125 CZ ARG A 12 1.465 18.455 4.233 1.00 0.00 C ATOM 126 NH1 ARG A 12 2.006 19.653 4.438 1.00 0.00 N ATOM 127 NH2 ARG A 12 0.154 18.299 4.203 1.00 0.00 N ATOM 0 H ARG A 12 5.907 14.627 7.074 1.00 0.00 H new ATOM 0 HA ARG A 12 5.039 17.372 7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.877 15.380 5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.865 16.560 6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.148 18.415 5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.436 17.358 5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.043 18.123 3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.986 16.380 3.519 1.00 0.00 H new ATOM 0 HE ARG A 12 1.726 16.485 3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.020 19.758 4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.406 20.466 4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.246 17.375 4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.459 19.103 4.341 1.00 0.00 H new ATOM 141 N LEU A 13 4.349 16.255 9.908 1.00 0.00 N ATOM 142 CA LEU A 13 3.871 15.746 11.180 1.00 0.00 C ATOM 143 C LEU A 13 2.787 16.698 11.653 1.00 0.00 C ATOM 144 O LEU A 13 3.105 17.723 12.264 1.00 0.00 O ATOM 145 CB LEU A 13 5.027 15.643 12.193 1.00 0.00 C ATOM 146 CG LEU A 13 5.689 14.263 12.310 1.00 0.00 C ATOM 147 CD1 LEU A 13 4.692 13.215 12.815 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.322 13.813 10.992 1.00 0.00 C ATOM 0 H LEU A 13 4.827 17.152 9.998 1.00 0.00 H new ATOM 0 HA LEU A 13 3.467 14.739 11.078 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.791 16.370 11.919 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.651 15.930 13.175 1.00 0.00 H new ATOM 0 HG LEU A 13 6.492 14.358 13.041 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.188 12.247 12.888 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.322 13.509 13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.856 13.143 12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.778 12.832 11.124 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.554 13.756 10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.086 14.530 10.691 1.00 0.00 H new ATOM 160 N SER A 14 1.528 16.377 11.359 1.00 0.00 N ATOM 161 CA SER A 14 0.393 17.222 11.703 1.00 0.00 C ATOM 162 C SER A 14 -0.717 16.483 12.460 1.00 0.00 C ATOM 163 O SER A 14 -1.658 17.140 12.906 1.00 0.00 O ATOM 164 CB SER A 14 -0.194 17.827 10.422 1.00 0.00 C ATOM 165 OG SER A 14 0.773 18.427 9.578 1.00 0.00 O ATOM 0 H SER A 14 1.269 15.518 10.873 1.00 0.00 H new ATOM 0 HA SER A 14 0.772 17.995 12.372 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.713 17.045 9.867 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.940 18.574 10.693 1.00 0.00 H new ATOM 0 HG SER A 14 0.332 18.790 8.782 1.00 0.00 H new ATOM 171 N ASP A 15 -0.657 15.156 12.595 1.00 0.00 N ATOM 172 CA ASP A 15 -1.740 14.347 13.154 1.00 0.00 C ATOM 173 C ASP A 15 -1.192 12.979 13.543 1.00 0.00 C ATOM 174 O ASP A 15 -0.389 12.441 12.786 1.00 0.00 O ATOM 175 CB ASP A 15 -2.795 14.131 12.086 1.00 0.00 C ATOM 176 CG ASP A 15 -4.021 13.463 12.695 1.00 0.00 C ATOM 177 OD1 ASP A 15 -4.904 14.193 13.182 1.00 0.00 O ATOM 178 OD2 ASP A 15 -4.113 12.215 12.712 1.00 0.00 O ATOM 0 H ASP A 15 0.156 14.607 12.315 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.162 14.855 14.021 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.074 15.086 11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.392 13.511 11.285 1.00 0.00 H new ATOM 183 N THR A 16 -1.614 12.375 14.653 1.00 0.00 N ATOM 184 CA THR A 16 -1.072 11.080 15.059 1.00 0.00 C ATOM 185 C THR A 16 -1.371 9.995 14.018 1.00 0.00 C ATOM 186 O THR A 16 -0.492 9.188 13.707 1.00 0.00 O ATOM 187 CB THR A 16 -1.574 10.709 16.466 1.00 0.00 C ATOM 188 OG1 THR A 16 -1.011 9.485 16.915 1.00 0.00 O ATOM 189 CG2 THR A 16 -3.103 10.588 16.563 1.00 0.00 C ATOM 0 H THR A 16 -2.322 12.757 15.281 1.00 0.00 H new ATOM 0 HA THR A 16 0.014 11.156 15.111 1.00 0.00 H new ATOM 0 HB THR A 16 -1.252 11.536 17.098 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.349 9.279 17.812 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.383 10.324 17.583 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.561 11.540 16.295 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.451 9.813 15.880 1.00 0.00 H new ATOM 197 N LYS A 17 -2.589 9.947 13.474 1.00 0.00 N ATOM 198 CA LYS A 17 -2.979 8.886 12.561 1.00 0.00 C ATOM 199 C LYS A 17 -2.548 9.317 11.163 1.00 0.00 C ATOM 200 O LYS A 17 -1.701 8.663 10.553 1.00 0.00 O ATOM 201 CB LYS A 17 -4.504 8.701 12.707 1.00 0.00 C ATOM 202 CG LYS A 17 -5.130 7.450 12.071 1.00 0.00 C ATOM 203 CD LYS A 17 -4.839 6.132 12.812 1.00 0.00 C ATOM 204 CE LYS A 17 -3.585 5.382 12.344 1.00 0.00 C ATOM 205 NZ LYS A 17 -3.750 4.826 10.987 1.00 0.00 N ATOM 0 H LYS A 17 -3.320 10.636 13.655 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.508 7.925 12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.742 8.693 13.771 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.992 9.576 12.278 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.210 7.589 12.017 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.769 7.361 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.738 6.347 13.876 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.700 5.473 12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.731 6.059 12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.363 4.575 13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.864 4.371 10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.516 4.123 10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.987 5.592 10.324 1.00 0.00 H new ATOM 219 N ALA A 18 -2.948 10.518 10.736 1.00 0.00 N ATOM 220 CA ALA A 18 -2.725 10.966 9.374 1.00 0.00 C ATOM 221 C ALA A 18 -1.243 11.205 9.088 1.00 0.00 C ATOM 222 O ALA A 18 -0.819 10.890 7.984 1.00 0.00 O ATOM 223 CB ALA A 18 -3.593 12.182 9.029 1.00 0.00 C ATOM 0 H ALA A 18 -3.431 11.196 11.325 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.040 10.160 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.398 12.488 8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.646 11.920 9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.353 13.003 9.704 1.00 0.00 H new ATOM 229 N ALA A 19 -0.407 11.657 10.033 1.00 0.00 N ATOM 230 CA ALA A 19 1.032 11.753 9.762 1.00 0.00 C ATOM 231 C ALA A 19 1.708 10.384 9.664 1.00 0.00 C ATOM 232 O ALA A 19 2.859 10.308 9.234 1.00 0.00 O ATOM 233 CB ALA A 19 1.762 12.593 10.805 1.00 0.00 C ATOM 0 H ALA A 19 -0.692 11.954 10.966 1.00 0.00 H new ATOM 0 HA ALA A 19 1.104 12.246 8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.824 12.634 10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.352 13.603 10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.633 12.143 11.789 1.00 0.00 H new ATOM 239 N GLY A 20 1.034 9.304 10.051 1.00 0.00 N ATOM 240 CA GLY A 20 1.458 7.961 9.728 1.00 0.00 C ATOM 241 C GLY A 20 1.244 7.727 8.244 1.00 0.00 C ATOM 242 O GLY A 20 2.196 7.511 7.494 1.00 0.00 O ATOM 0 H GLY A 20 0.175 9.345 10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.509 7.824 9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.891 7.235 10.311 1.00 0.00 H new ATOM 246 N GLU A 21 -0.016 7.812 7.831 1.00 0.00 N ATOM 247 CA GLU A 21 -0.473 7.503 6.485 1.00 0.00 C ATOM 248 C GLU A 21 0.139 8.425 5.436 1.00 0.00 C ATOM 249 O GLU A 21 0.596 7.942 4.408 1.00 0.00 O ATOM 250 CB GLU A 21 -2.001 7.568 6.439 1.00 0.00 C ATOM 251 CG GLU A 21 -2.637 6.299 7.015 1.00 0.00 C ATOM 252 CD GLU A 21 -2.524 6.191 8.528 1.00 0.00 C ATOM 253 OE1 GLU A 21 -3.376 6.813 9.194 1.00 0.00 O ATOM 254 OE2 GLU A 21 -1.632 5.471 9.050 1.00 0.00 O ATOM 0 H GLU A 21 -0.772 8.109 8.448 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.141 6.494 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.346 8.436 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.329 7.705 5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.690 6.272 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.164 5.428 6.561 1.00 0.00 H new ATOM 261 N VAL A 22 0.210 9.730 5.690 1.00 0.00 N ATOM 262 CA VAL A 22 0.838 10.701 4.801 1.00 0.00 C ATOM 263 C VAL A 22 2.302 10.327 4.573 1.00 0.00 C ATOM 264 O VAL A 22 2.763 10.396 3.439 1.00 0.00 O ATOM 265 CB VAL A 22 0.671 12.125 5.379 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.544 13.173 4.673 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.796 12.571 5.275 1.00 0.00 C ATOM 0 H VAL A 22 -0.175 10.149 6.536 1.00 0.00 H new ATOM 0 HA VAL A 22 0.348 10.688 3.827 1.00 0.00 H new ATOM 0 HB VAL A 22 0.992 12.066 6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.379 14.150 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.594 12.899 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.280 13.215 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.901 13.575 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.103 12.572 4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.426 11.882 5.837 1.00 0.00 H new ATOM 277 N LYS A 23 3.038 9.887 5.604 1.00 0.00 N ATOM 278 CA LYS A 23 4.423 9.462 5.409 1.00 0.00 C ATOM 279 C LYS A 23 4.455 8.261 4.478 1.00 0.00 C ATOM 280 O LYS A 23 5.255 8.243 3.554 1.00 0.00 O ATOM 281 CB LYS A 23 5.102 9.144 6.749 1.00 0.00 C ATOM 282 CG LYS A 23 6.567 9.599 6.788 1.00 0.00 C ATOM 283 CD LYS A 23 7.577 8.865 5.899 1.00 0.00 C ATOM 284 CE LYS A 23 7.627 7.363 6.187 1.00 0.00 C ATOM 285 NZ LYS A 23 8.831 6.742 5.604 1.00 0.00 N ATOM 0 H LYS A 23 2.701 9.818 6.564 1.00 0.00 H new ATOM 0 HA LYS A 23 4.983 10.279 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.552 9.630 7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.053 8.071 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.595 10.656 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.913 9.521 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.317 9.023 4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.568 9.294 6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.616 7.197 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.736 6.884 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.731 5.707 5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.945 7.062 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.667 7.018 6.158 1.00 0.00 H new ATOM 299 N ALA A 24 3.604 7.266 4.726 1.00 0.00 N ATOM 300 CA ALA A 24 3.482 6.092 3.870 1.00 0.00 C ATOM 301 C ALA A 24 3.185 6.500 2.423 1.00 0.00 C ATOM 302 O ALA A 24 3.844 6.010 1.514 1.00 0.00 O ATOM 303 CB ALA A 24 2.425 5.128 4.424 1.00 0.00 C ATOM 0 H ALA A 24 2.978 7.254 5.531 1.00 0.00 H new ATOM 0 HA ALA A 24 4.435 5.563 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.348 4.258 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.714 4.807 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.460 5.633 4.470 1.00 0.00 H new ATOM 309 N LEU A 25 2.227 7.404 2.200 1.00 0.00 N ATOM 310 CA LEU A 25 1.849 7.867 0.870 1.00 0.00 C ATOM 311 C LEU A 25 3.025 8.583 0.198 1.00 0.00 C ATOM 312 O LEU A 25 3.298 8.345 -0.974 1.00 0.00 O ATOM 313 CB LEU A 25 0.668 8.841 0.981 1.00 0.00 C ATOM 314 CG LEU A 25 0.104 9.254 -0.393 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.172 8.510 -0.781 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.215 10.744 -0.339 1.00 0.00 C ATOM 0 H LEU A 25 1.688 7.838 2.950 1.00 0.00 H new ATOM 0 HA LEU A 25 1.566 7.003 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.124 8.379 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.988 9.733 1.521 1.00 0.00 H new ATOM 0 HG LEU A 25 0.858 9.007 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.510 8.853 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.971 7.439 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.947 8.706 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.617 11.065 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.951 10.930 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.695 11.303 -0.121 1.00 0.00 H new ATOM 328 N ASP A 26 3.704 9.478 0.924 1.00 0.00 N ATOM 329 CA ASP A 26 4.852 10.243 0.432 1.00 0.00 C ATOM 330 C ASP A 26 5.914 9.276 -0.042 1.00 0.00 C ATOM 331 O ASP A 26 6.404 9.377 -1.167 1.00 0.00 O ATOM 332 CB ASP A 26 5.459 11.112 1.548 1.00 0.00 C ATOM 333 CG ASP A 26 6.494 12.153 1.099 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.652 12.458 -0.106 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.134 12.741 2.004 1.00 0.00 O ATOM 0 H ASP A 26 3.464 9.694 1.891 1.00 0.00 H new ATOM 0 HA ASP A 26 4.513 10.890 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.648 11.631 2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.928 10.454 2.280 1.00 0.00 H new ATOM 340 N ASP A 27 6.257 8.344 0.848 1.00 0.00 N ATOM 341 CA ASP A 27 7.362 7.433 0.654 1.00 0.00 C ATOM 342 C ASP A 27 7.059 6.520 -0.535 1.00 0.00 C ATOM 343 O ASP A 27 7.926 6.250 -1.371 1.00 0.00 O ATOM 344 CB ASP A 27 7.608 6.592 1.924 1.00 0.00 C ATOM 345 CG ASP A 27 9.083 6.294 2.165 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.636 5.336 1.593 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.696 7.002 3.002 1.00 0.00 O ATOM 0 H ASP A 27 5.764 8.207 1.730 1.00 0.00 H new ATOM 0 HA ASP A 27 8.265 8.008 0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.204 7.121 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.062 5.652 1.842 1.00 0.00 H new ATOM 352 N PHE A 28 5.808 6.052 -0.604 1.00 0.00 N ATOM 353 CA PHE A 28 5.271 5.244 -1.681 1.00 0.00 C ATOM 354 C PHE A 28 5.366 5.998 -2.998 1.00 0.00 C ATOM 355 O PHE A 28 5.935 5.469 -3.943 1.00 0.00 O ATOM 356 CB PHE A 28 3.820 4.849 -1.380 1.00 0.00 C ATOM 357 CG PHE A 28 3.149 4.139 -2.533 1.00 0.00 C ATOM 358 CD1 PHE A 28 3.229 2.740 -2.647 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.505 4.887 -3.535 1.00 0.00 C ATOM 360 CE1 PHE A 28 2.672 2.101 -3.765 1.00 0.00 C ATOM 361 CE2 PHE A 28 1.954 4.243 -4.650 1.00 0.00 C ATOM 362 CZ PHE A 28 2.046 2.850 -4.771 1.00 0.00 C ATOM 0 H PHE A 28 5.120 6.240 0.125 1.00 0.00 H new ATOM 0 HA PHE A 28 5.860 4.331 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.800 4.203 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.250 5.744 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.717 2.160 -1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.435 5.961 -3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.726 1.026 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.458 4.820 -5.417 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.635 2.354 -5.638 1.00 0.00 H new ATOM 372 N TYR A 29 4.813 7.211 -3.089 1.00 0.00 N ATOM 373 CA TYR A 29 4.813 7.972 -4.334 1.00 0.00 C ATOM 374 C TYR A 29 6.219 8.221 -4.851 1.00 0.00 C ATOM 375 O TYR A 29 6.452 8.256 -6.058 1.00 0.00 O ATOM 376 CB TYR A 29 4.143 9.328 -4.122 1.00 0.00 C ATOM 377 CG TYR A 29 2.657 9.327 -4.342 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.120 8.638 -5.443 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.840 10.116 -3.518 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.761 8.746 -5.733 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.477 10.274 -3.841 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.065 9.574 -4.941 1.00 0.00 C ATOM 383 OH TYR A 29 -1.387 9.705 -5.213 1.00 0.00 O ATOM 0 H TYR A 29 4.358 7.686 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 29 4.266 7.377 -5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.347 9.666 -3.106 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.597 10.054 -4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.759 8.026 -6.063 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.252 10.598 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.340 8.197 -6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.149 10.927 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.880 8.962 -4.806 1.00 0.00 H new ATOM 393 N LYS A 30 7.152 8.426 -3.927 1.00 0.00 N ATOM 394 CA LYS A 30 8.566 8.529 -4.249 1.00 0.00 C ATOM 395 C LYS A 30 8.995 7.293 -5.054 1.00 0.00 C ATOM 396 O LYS A 30 9.452 7.448 -6.188 1.00 0.00 O ATOM 397 CB LYS A 30 9.386 8.787 -2.969 1.00 0.00 C ATOM 398 CG LYS A 30 10.320 9.985 -3.183 1.00 0.00 C ATOM 399 CD LYS A 30 11.248 10.299 -2.000 1.00 0.00 C ATOM 400 CE LYS A 30 12.014 11.593 -2.322 1.00 0.00 C ATOM 401 NZ LYS A 30 13.129 11.875 -1.389 1.00 0.00 N ATOM 0 H LYS A 30 6.946 8.525 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 30 8.762 9.389 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.717 8.981 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.968 7.901 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.931 9.798 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.715 10.866 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.669 10.417 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.944 9.477 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.409 11.528 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.317 12.431 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.028 12.837 -1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.109 11.189 -0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.034 11.796 -1.896 1.00 0.00 H new ATOM 415 N MET A 31 8.792 6.079 -4.530 1.00 0.00 N ATOM 416 CA MET A 31 9.068 4.855 -5.279 1.00 0.00 C ATOM 417 C MET A 31 8.206 4.756 -6.538 1.00 0.00 C ATOM 418 O MET A 31 8.694 4.262 -7.541 1.00 0.00 O ATOM 419 CB MET A 31 8.778 3.625 -4.424 1.00 0.00 C ATOM 420 CG MET A 31 9.574 3.552 -3.131 1.00 0.00 C ATOM 421 SD MET A 31 10.961 2.395 -3.085 1.00 0.00 S ATOM 422 CE MET A 31 10.256 1.295 -1.846 1.00 0.00 C ATOM 0 H MET A 31 8.436 5.921 -3.587 1.00 0.00 H new ATOM 0 HA MET A 31 10.121 4.892 -5.558 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.715 3.609 -4.183 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.985 2.732 -5.014 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.957 4.549 -2.912 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.888 3.290 -2.325 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.935 0.460 -1.672 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.108 1.843 -0.915 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.297 0.916 -2.200 1.00 0.00 H new ATOM 432 N LEU A 32 6.949 5.210 -6.528 1.00 0.00 N ATOM 433 CA LEU A 32 6.042 5.079 -7.668 1.00 0.00 C ATOM 434 C LEU A 32 6.637 5.709 -8.934 1.00 0.00 C ATOM 435 O LEU A 32 6.354 5.250 -10.038 1.00 0.00 O ATOM 436 CB LEU A 32 4.660 5.667 -7.320 1.00 0.00 C ATOM 437 CG LEU A 32 3.579 5.292 -8.344 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.110 3.856 -8.141 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.360 6.203 -8.202 1.00 0.00 C ATOM 0 H LEU A 32 6.532 5.680 -5.725 1.00 0.00 H new ATOM 0 HA LEU A 32 5.908 4.019 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.358 5.314 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.737 6.753 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 32 4.023 5.405 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.345 3.616 -8.879 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.955 3.177 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.695 3.747 -7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.607 5.920 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.945 6.102 -7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.658 7.238 -8.368 1.00 0.00 H new ATOM 451 N GLN A 33 7.485 6.728 -8.777 1.00 0.00 N ATOM 452 CA GLN A 33 8.286 7.272 -9.860 1.00 0.00 C ATOM 453 C GLN A 33 9.643 6.560 -9.946 1.00 0.00 C ATOM 454 O GLN A 33 9.984 6.045 -11.012 1.00 0.00 O ATOM 455 CB GLN A 33 8.439 8.788 -9.673 1.00 0.00 C ATOM 456 CG GLN A 33 7.098 9.547 -9.671 1.00 0.00 C ATOM 457 CD GLN A 33 6.233 9.309 -10.914 1.00 0.00 C ATOM 458 OE1 GLN A 33 6.722 9.071 -12.020 1.00 0.00 O ATOM 459 NE2 GLN A 33 4.919 9.332 -10.765 1.00 0.00 N ATOM 0 H GLN A 33 7.631 7.198 -7.884 1.00 0.00 H new ATOM 0 HA GLN A 33 7.780 7.097 -10.809 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.957 8.979 -8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.069 9.182 -10.470 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.531 9.255 -8.787 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.299 10.615 -9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.513 9.529 -9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.312 9.153 -11.565 1.00 0.00 H new ATOM 468 N HIS A 34 10.430 6.534 -8.863 1.00 0.00 N ATOM 469 CA HIS A 34 11.805 6.032 -8.884 1.00 0.00 C ATOM 470 C HIS A 34 11.890 4.557 -9.276 1.00 0.00 C ATOM 471 O HIS A 34 12.684 4.172 -10.140 1.00 0.00 O ATOM 472 CB HIS A 34 12.465 6.227 -7.510 1.00 0.00 C ATOM 473 CG HIS A 34 13.003 7.614 -7.313 1.00 0.00 C ATOM 474 ND1 HIS A 34 14.112 8.130 -7.939 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.476 8.593 -6.519 1.00 0.00 C ATOM 476 CE1 HIS A 34 14.246 9.405 -7.555 1.00 0.00 C ATOM 477 NE2 HIS A 34 13.269 9.734 -6.694 1.00 0.00 N ATOM 0 H HIS A 34 10.128 6.862 -7.946 1.00 0.00 H new ATOM 0 HA HIS A 34 12.334 6.608 -9.643 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.737 6.011 -6.729 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.277 5.508 -7.397 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.612 8.504 -5.878 1.00 0.00 H new ATOM 0 HE1 HIS A 34 15.027 10.073 -7.889 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.131 10.643 -6.252 1.00 0.00 H new ATOM 485 N GLU A 35 11.153 3.710 -8.577 1.00 0.00 N ATOM 486 CA GLU A 35 11.211 2.269 -8.681 1.00 0.00 C ATOM 487 C GLU A 35 9.811 1.692 -8.433 1.00 0.00 C ATOM 488 O GLU A 35 9.545 1.151 -7.359 1.00 0.00 O ATOM 489 CB GLU A 35 12.332 1.709 -7.780 1.00 0.00 C ATOM 490 CG GLU A 35 12.295 2.156 -6.308 1.00 0.00 C ATOM 491 CD GLU A 35 13.600 1.838 -5.583 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.070 0.683 -5.654 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.126 2.682 -4.823 1.00 0.00 O ATOM 0 H GLU A 35 10.468 4.027 -7.891 1.00 0.00 H new ATOM 0 HA GLU A 35 11.489 1.952 -9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.287 0.620 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.293 2.000 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.105 3.228 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.467 1.662 -5.799 1.00 0.00 H new ATOM 500 N PRO A 36 8.889 1.776 -9.415 1.00 0.00 N ATOM 501 CA PRO A 36 7.548 1.217 -9.282 1.00 0.00 C ATOM 502 C PRO A 36 7.564 -0.308 -9.114 1.00 0.00 C ATOM 503 O PRO A 36 6.562 -0.882 -8.684 1.00 0.00 O ATOM 504 CB PRO A 36 6.767 1.672 -10.520 1.00 0.00 C ATOM 505 CG PRO A 36 7.850 2.025 -11.539 1.00 0.00 C ATOM 506 CD PRO A 36 9.009 2.503 -10.670 1.00 0.00 C ATOM 0 HA PRO A 36 7.065 1.578 -8.374 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.114 0.882 -10.891 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.134 2.531 -10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.130 1.162 -12.143 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.517 2.802 -12.227 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.967 2.300 -11.149 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.956 3.579 -10.505 1.00 0.00 H new ATOM 514 N ASP A 37 8.694 -0.984 -9.352 1.00 0.00 N ATOM 515 CA ASP A 37 8.869 -2.383 -8.957 1.00 0.00 C ATOM 516 C ASP A 37 8.772 -2.560 -7.438 1.00 0.00 C ATOM 517 O ASP A 37 8.507 -3.673 -6.988 1.00 0.00 O ATOM 518 CB ASP A 37 10.215 -2.940 -9.433 1.00 0.00 C ATOM 519 CG ASP A 37 10.283 -3.136 -10.941 1.00 0.00 C ATOM 520 OD1 ASP A 37 9.422 -3.860 -11.491 1.00 0.00 O ATOM 521 OD2 ASP A 37 11.206 -2.558 -11.558 1.00 0.00 O ATOM 0 H ASP A 37 9.505 -0.580 -9.820 1.00 0.00 H new ATOM 0 HA ASP A 37 8.061 -2.937 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.011 -2.262 -9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.401 -3.894 -8.940 1.00 0.00 H new ATOM 526 N ARG A 38 8.954 -1.491 -6.646 1.00 0.00 N ATOM 527 CA ARG A 38 8.791 -1.480 -5.192 1.00 0.00 C ATOM 528 C ARG A 38 7.571 -0.679 -4.730 1.00 0.00 C ATOM 529 O ARG A 38 7.383 -0.517 -3.524 1.00 0.00 O ATOM 530 CB ARG A 38 10.064 -0.997 -4.476 1.00 0.00 C ATOM 531 CG ARG A 38 11.256 -1.925 -4.752 1.00 0.00 C ATOM 532 CD ARG A 38 12.272 -1.956 -3.609 1.00 0.00 C ATOM 533 NE ARG A 38 13.110 -0.755 -3.544 1.00 0.00 N ATOM 534 CZ ARG A 38 13.668 -0.212 -2.459 1.00 0.00 C ATOM 535 NH1 ARG A 38 13.569 -0.810 -1.275 1.00 0.00 N ATOM 536 NH2 ARG A 38 14.350 0.921 -2.576 1.00 0.00 N ATOM 0 H ARG A 38 9.228 -0.582 -7.018 1.00 0.00 H new ATOM 0 HA ARG A 38 8.613 -2.517 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.306 0.014 -4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.882 -0.948 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.888 -2.935 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.756 -1.602 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.741 -2.072 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.912 -2.831 -3.725 1.00 0.00 H new ATOM 0 HE ARG A 38 13.287 -0.280 -4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.063 -1.692 -1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.999 -0.387 -0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.444 1.368 -3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.780 1.344 -1.754 1.00 0.00 H new ATOM 550 N ALA A 39 6.721 -0.199 -5.638 1.00 0.00 N ATOM 551 CA ALA A 39 5.491 0.502 -5.299 1.00 0.00 C ATOM 552 C ALA A 39 4.369 -0.105 -6.128 1.00 0.00 C ATOM 553 O ALA A 39 4.179 0.244 -7.292 1.00 0.00 O ATOM 554 CB ALA A 39 5.656 2.010 -5.501 1.00 0.00 C ATOM 0 H ALA A 39 6.873 -0.290 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 39 5.242 0.381 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.726 2.516 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.459 2.377 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.901 2.213 -6.543 1.00 0.00 H new ATOM 560 N PHE A 40 3.651 -1.052 -5.531 1.00 0.00 N ATOM 561 CA PHE A 40 2.616 -1.842 -6.187 1.00 0.00 C ATOM 562 C PHE A 40 1.278 -1.149 -5.952 1.00 0.00 C ATOM 563 O PHE A 40 1.042 -0.672 -4.840 1.00 0.00 O ATOM 564 CB PHE A 40 2.581 -3.227 -5.535 1.00 0.00 C ATOM 565 CG PHE A 40 3.270 -4.269 -6.378 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.522 -4.018 -6.958 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.630 -5.490 -6.616 1.00 0.00 C ATOM 568 CE1 PHE A 40 5.132 -4.997 -7.748 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.213 -6.458 -7.450 1.00 0.00 C ATOM 570 CZ PHE A 40 4.485 -6.221 -8.001 1.00 0.00 C ATOM 0 H PHE A 40 3.778 -1.297 -4.549 1.00 0.00 H new ATOM 0 HA PHE A 40 2.813 -1.937 -7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.059 -3.179 -4.557 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.545 -3.523 -5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.014 -3.070 -6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.675 -5.691 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.110 -4.812 -8.168 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.689 -7.377 -7.666 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.962 -6.972 -8.613 1.00 0.00 H new ATOM 580 N TYR A 41 0.386 -1.092 -6.945 1.00 0.00 N ATOM 581 CA TYR A 41 -0.937 -0.512 -6.748 1.00 0.00 C ATOM 582 C TYR A 41 -2.039 -1.292 -7.460 1.00 0.00 C ATOM 583 O TYR A 41 -1.800 -1.932 -8.481 1.00 0.00 O ATOM 584 CB TYR A 41 -0.927 0.955 -7.174 1.00 0.00 C ATOM 585 CG TYR A 41 -1.270 1.162 -8.634 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.335 0.890 -9.650 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.587 1.509 -8.972 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.728 0.958 -10.999 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.976 1.619 -10.311 1.00 0.00 C ATOM 590 CZ TYR A 41 -2.051 1.329 -11.335 1.00 0.00 C ATOM 591 OH TYR A 41 -2.476 1.316 -12.626 1.00 0.00 O ATOM 0 H TYR A 41 0.559 -1.440 -7.888 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.169 -0.574 -5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.638 1.508 -6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 41 0.059 1.376 -6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.682 0.630 -9.395 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.308 1.693 -8.190 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.018 0.727 -11.780 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.981 1.925 -10.560 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.413 1.600 -12.665 1.00 0.00 H new ATOM 601 N GLY A 42 -3.277 -1.158 -6.985 1.00 0.00 N ATOM 602 CA GLY A 42 -4.404 -1.891 -7.538 1.00 0.00 C ATOM 603 C GLY A 42 -4.440 -3.289 -6.940 1.00 0.00 C ATOM 604 O GLY A 42 -3.415 -3.965 -6.853 1.00 0.00 O ATOM 0 H GLY A 42 -3.521 -0.541 -6.210 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.335 -1.367 -7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.317 -1.950 -8.623 1.00 0.00 H new ATOM 608 N LEU A 43 -5.629 -3.704 -6.496 1.00 0.00 N ATOM 609 CA LEU A 43 -5.885 -4.929 -5.742 1.00 0.00 C ATOM 610 C LEU A 43 -5.096 -6.121 -6.287 1.00 0.00 C ATOM 611 O LEU A 43 -4.371 -6.758 -5.531 1.00 0.00 O ATOM 612 CB LEU A 43 -7.407 -5.174 -5.726 1.00 0.00 C ATOM 613 CG LEU A 43 -7.853 -6.487 -5.055 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.444 -6.549 -3.583 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.377 -6.612 -5.143 1.00 0.00 C ATOM 0 H LEU A 43 -6.480 -3.167 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.533 -4.811 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.888 -4.341 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.771 -5.168 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.362 -7.305 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.779 -7.492 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.359 -6.479 -3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.901 -5.720 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.694 -7.541 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.841 -5.768 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.682 -6.617 -6.189 1.00 0.00 H new ATOM 627 N LYS A 44 -5.171 -6.376 -7.594 1.00 0.00 N ATOM 628 CA LYS A 44 -4.529 -7.504 -8.251 1.00 0.00 C ATOM 629 C LYS A 44 -3.018 -7.452 -8.035 1.00 0.00 C ATOM 630 O LYS A 44 -2.439 -8.475 -7.664 1.00 0.00 O ATOM 631 CB LYS A 44 -4.960 -7.488 -9.735 1.00 0.00 C ATOM 632 CG LYS A 44 -3.914 -8.025 -10.722 1.00 0.00 C ATOM 633 CD LYS A 44 -4.322 -7.825 -12.185 1.00 0.00 C ATOM 634 CE LYS A 44 -4.106 -6.367 -12.610 1.00 0.00 C ATOM 635 NZ LYS A 44 -4.524 -6.112 -14.001 1.00 0.00 N ATOM 0 H LYS A 44 -5.696 -5.784 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.842 -8.457 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.871 -8.077 -9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.209 -6.464 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.962 -7.525 -10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.756 -9.087 -10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.738 -8.487 -12.825 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.369 -8.097 -12.317 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.664 -5.711 -11.941 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.052 -6.113 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.189 -5.173 -14.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.116 -6.838 -14.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.562 -6.145 -14.063 1.00 0.00 H new ATOM 649 N GLN A 45 -2.364 -6.310 -8.278 1.00 0.00 N ATOM 650 CA GLN A 45 -0.923 -6.218 -8.075 1.00 0.00 C ATOM 651 C GLN A 45 -0.627 -6.522 -6.609 1.00 0.00 C ATOM 652 O GLN A 45 0.173 -7.396 -6.293 1.00 0.00 O ATOM 653 CB GLN A 45 -0.355 -4.842 -8.448 1.00 0.00 C ATOM 654 CG GLN A 45 -0.556 -4.412 -9.908 1.00 0.00 C ATOM 655 CD GLN A 45 0.279 -3.177 -10.266 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.933 -2.563 -9.419 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.362 -2.823 -11.536 1.00 0.00 N ATOM 0 H GLN A 45 -2.805 -5.452 -8.610 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.440 -6.940 -8.733 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.813 -4.093 -7.802 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.713 -4.840 -8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.285 -5.236 -10.569 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.611 -4.198 -10.081 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.176 -3.326 -12.242 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.964 -2.047 -11.811 1.00 0.00 H new ATOM 666 N VAL A 46 -1.256 -5.796 -5.693 1.00 0.00 N ATOM 667 CA VAL A 46 -1.021 -5.921 -4.265 1.00 0.00 C ATOM 668 C VAL A 46 -1.181 -7.376 -3.794 1.00 0.00 C ATOM 669 O VAL A 46 -0.359 -7.837 -3.006 1.00 0.00 O ATOM 670 CB VAL A 46 -1.939 -4.953 -3.506 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.573 -4.983 -2.029 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.803 -3.493 -3.966 1.00 0.00 C ATOM 0 H VAL A 46 -1.956 -5.092 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 46 0.011 -5.647 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.960 -5.283 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.219 -4.298 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.703 -5.994 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.534 -4.678 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.480 -2.865 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.777 -3.157 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.055 -3.420 -5.024 1.00 0.00 H new ATOM 682 N GLU A 47 -2.168 -8.119 -4.296 1.00 0.00 N ATOM 683 CA GLU A 47 -2.356 -9.535 -3.992 1.00 0.00 C ATOM 684 C GLU A 47 -1.095 -10.343 -4.335 1.00 0.00 C ATOM 685 O GLU A 47 -0.652 -11.168 -3.542 1.00 0.00 O ATOM 686 CB GLU A 47 -3.603 -10.048 -4.738 1.00 0.00 C ATOM 687 CG GLU A 47 -4.888 -9.615 -4.018 1.00 0.00 C ATOM 688 CD GLU A 47 -6.161 -10.070 -4.743 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.366 -9.728 -5.927 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.000 -10.769 -4.112 1.00 0.00 O ATOM 0 H GLU A 47 -2.870 -7.746 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.520 -9.664 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.606 -9.663 -5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.569 -11.135 -4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.887 -10.022 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.898 -8.529 -3.924 1.00 0.00 H new ATOM 697 N LYS A 48 -0.448 -10.059 -5.467 1.00 0.00 N ATOM 698 CA LYS A 48 0.803 -10.697 -5.874 1.00 0.00 C ATOM 699 C LYS A 48 1.919 -10.306 -4.904 1.00 0.00 C ATOM 700 O LYS A 48 2.701 -11.143 -4.472 1.00 0.00 O ATOM 701 CB LYS A 48 1.073 -10.293 -7.337 1.00 0.00 C ATOM 702 CG LYS A 48 2.489 -10.485 -7.873 1.00 0.00 C ATOM 703 CD LYS A 48 2.823 -11.935 -8.174 1.00 0.00 C ATOM 704 CE LYS A 48 3.422 -12.684 -6.978 1.00 0.00 C ATOM 705 NZ LYS A 48 3.691 -14.109 -7.276 1.00 0.00 N ATOM 0 H LYS A 48 -0.785 -9.368 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 48 0.747 -11.785 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.393 -10.860 -7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.811 -9.241 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.610 -9.895 -8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.202 -10.098 -7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.918 -12.449 -8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.526 -11.973 -9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.350 -12.198 -6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.738 -12.616 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.095 -14.569 -6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.803 -14.583 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.365 -14.177 -8.065 1.00 0.00 H new ATOM 719 N ALA A 49 2.013 -9.031 -4.550 1.00 0.00 N ATOM 720 CA ALA A 49 2.996 -8.560 -3.570 1.00 0.00 C ATOM 721 C ALA A 49 2.827 -9.136 -2.169 1.00 0.00 C ATOM 722 O ALA A 49 3.822 -9.323 -1.462 1.00 0.00 O ATOM 723 CB ALA A 49 3.013 -7.038 -3.547 1.00 0.00 C ATOM 0 H ALA A 49 1.417 -8.295 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 49 3.963 -8.937 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.745 -6.693 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.281 -6.662 -4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.025 -6.667 -3.273 1.00 0.00 H new ATOM 729 N ASN A 50 1.600 -9.429 -1.759 1.00 0.00 N ATOM 730 CA ASN A 50 1.353 -10.150 -0.526 1.00 0.00 C ATOM 731 C ASN A 50 1.969 -11.543 -0.625 1.00 0.00 C ATOM 732 O ASN A 50 2.714 -11.919 0.274 1.00 0.00 O ATOM 733 CB ASN A 50 -0.154 -10.175 -0.254 1.00 0.00 C ATOM 734 CG ASN A 50 -0.555 -11.218 0.774 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.925 -12.339 0.433 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.556 -10.853 2.039 1.00 0.00 N ATOM 0 H ASN A 50 0.755 -9.174 -2.271 1.00 0.00 H new ATOM 0 HA ASN A 50 1.824 -9.654 0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.471 -9.191 0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.683 -10.371 -1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.868 -11.506 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.245 -9.917 2.300 1.00 0.00 H new ATOM 743 N GLU A 51 1.774 -12.258 -1.736 1.00 0.00 N ATOM 744 CA GLU A 51 2.420 -13.552 -1.974 1.00 0.00 C ATOM 745 C GLU A 51 3.945 -13.471 -2.000 1.00 0.00 C ATOM 746 O GLU A 51 4.625 -14.467 -1.739 1.00 0.00 O ATOM 747 CB GLU A 51 1.981 -14.126 -3.319 1.00 0.00 C ATOM 748 CG GLU A 51 0.498 -14.445 -3.321 1.00 0.00 C ATOM 749 CD GLU A 51 0.103 -15.178 -4.595 1.00 0.00 C ATOM 750 OE1 GLU A 51 -0.171 -14.523 -5.632 1.00 0.00 O ATOM 751 OE2 GLU A 51 0.059 -16.423 -4.598 1.00 0.00 O ATOM 0 H GLU A 51 1.164 -11.957 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 51 2.114 -14.186 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.203 -13.412 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.550 -15.030 -3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.252 -15.057 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.077 -13.523 -3.234 1.00 0.00 H new ATOM 758 N ALA A 52 4.482 -12.297 -2.324 1.00 0.00 N ATOM 759 CA ALA A 52 5.920 -12.046 -2.366 1.00 0.00 C ATOM 760 C ALA A 52 6.483 -11.785 -0.975 1.00 0.00 C ATOM 761 O ALA A 52 7.700 -11.695 -0.836 1.00 0.00 O ATOM 762 CB ALA A 52 6.276 -10.903 -3.330 1.00 0.00 C ATOM 0 H ALA A 52 3.921 -11.481 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 52 6.388 -12.953 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.355 -10.750 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.946 -11.160 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.780 -9.987 -3.008 1.00 0.00 H new ATOM 768 N MET A 53 5.632 -11.701 0.049 1.00 0.00 N ATOM 769 CA MET A 53 6.002 -11.482 1.441 1.00 0.00 C ATOM 770 C MET A 53 6.787 -10.176 1.626 1.00 0.00 C ATOM 771 O MET A 53 7.523 -10.010 2.601 1.00 0.00 O ATOM 772 CB MET A 53 6.765 -12.704 1.996 1.00 0.00 C ATOM 773 CG MET A 53 6.034 -14.030 1.772 1.00 0.00 C ATOM 774 SD MET A 53 4.675 -14.288 2.904 1.00 0.00 S ATOM 775 CE MET A 53 3.641 -15.342 1.866 1.00 0.00 C ATOM 0 H MET A 53 4.624 -11.788 -0.079 1.00 0.00 H new ATOM 0 HA MET A 53 5.086 -11.371 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.747 -12.755 1.525 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.931 -12.565 3.064 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.657 -14.061 0.750 1.00 0.00 H new ATOM 0 HG3 MET A 53 6.744 -14.850 1.875 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.734 -15.610 2.409 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.374 -14.806 0.955 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.190 -16.247 1.606 1.00 0.00 H new ATOM 785 N ALA A 54 6.669 -9.263 0.660 1.00 0.00 N ATOM 786 CA ALA A 54 7.577 -8.136 0.494 1.00 0.00 C ATOM 787 C ALA A 54 6.902 -6.831 0.858 1.00 0.00 C ATOM 788 O ALA A 54 7.563 -5.799 0.802 1.00 0.00 O ATOM 789 CB ALA A 54 8.006 -8.056 -0.978 1.00 0.00 C ATOM 0 H ALA A 54 5.926 -9.290 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 54 8.434 -8.289 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.686 -7.215 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.510 -8.980 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.126 -7.916 -1.606 1.00 0.00 H new ATOM 795 N ILE A 55 5.604 -6.842 1.152 1.00 0.00 N ATOM 796 CA ILE A 55 4.875 -5.650 1.523 1.00 0.00 C ATOM 797 C ILE A 55 5.427 -5.224 2.874 1.00 0.00 C ATOM 798 O ILE A 55 5.232 -5.896 3.886 1.00 0.00 O ATOM 799 CB ILE A 55 3.356 -5.899 1.473 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.950 -5.967 -0.008 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.593 -4.802 2.234 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.463 -6.213 -0.260 1.00 0.00 C ATOM 0 H ILE A 55 5.033 -7.687 1.137 1.00 0.00 H new ATOM 0 HA ILE A 55 5.014 -4.826 0.823 1.00 0.00 H new ATOM 0 HB ILE A 55 3.101 -6.837 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.235 -5.032 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.521 -6.761 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.523 -5.001 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.912 -4.793 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.803 -3.832 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.276 -6.244 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.170 -7.163 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.880 -5.407 0.186 1.00 0.00 H new ATOM 814 N ASP A 56 6.150 -4.112 2.853 1.00 0.00 N ATOM 815 CA ASP A 56 6.599 -3.415 4.047 1.00 0.00 C ATOM 816 C ASP A 56 5.406 -2.686 4.650 1.00 0.00 C ATOM 817 O ASP A 56 5.177 -2.726 5.857 1.00 0.00 O ATOM 818 CB ASP A 56 7.700 -2.409 3.693 1.00 0.00 C ATOM 819 CG ASP A 56 7.858 -1.362 4.797 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.041 -1.724 5.980 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.724 -0.157 4.491 1.00 0.00 O ATOM 0 H ASP A 56 6.446 -3.662 1.987 1.00 0.00 H new ATOM 0 HA ASP A 56 7.007 -4.129 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.644 -2.934 3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.459 -1.917 2.751 1.00 0.00 H new ATOM 826 N THR A 57 4.629 -1.993 3.823 1.00 0.00 N ATOM 827 CA THR A 57 3.479 -1.225 4.259 1.00 0.00 C ATOM 828 C THR A 57 2.422 -1.292 3.159 1.00 0.00 C ATOM 829 O THR A 57 2.742 -1.083 1.994 1.00 0.00 O ATOM 830 CB THR A 57 3.950 0.204 4.574 1.00 0.00 C ATOM 831 OG1 THR A 57 4.736 0.223 5.752 1.00 0.00 O ATOM 832 CG2 THR A 57 2.802 1.151 4.881 1.00 0.00 C ATOM 0 H THR A 57 4.788 -1.952 2.816 1.00 0.00 H new ATOM 0 HA THR A 57 3.026 -1.621 5.168 1.00 0.00 H new ATOM 0 HB THR A 57 4.494 0.519 3.684 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.681 0.114 5.517 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.197 2.144 5.095 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.134 1.204 4.021 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.250 0.785 5.747 1.00 0.00 H new ATOM 840 N LEU A 58 1.168 -1.558 3.527 1.00 0.00 N ATOM 841 CA LEU A 58 0.002 -1.613 2.650 1.00 0.00 C ATOM 842 C LEU A 58 -0.852 -0.407 2.993 1.00 0.00 C ATOM 843 O LEU A 58 -1.234 -0.259 4.150 1.00 0.00 O ATOM 844 CB LEU A 58 -0.778 -2.905 2.938 1.00 0.00 C ATOM 845 CG LEU A 58 -2.217 -2.959 2.384 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.225 -3.351 0.912 1.00 0.00 C ATOM 847 CD2 LEU A 58 -3.028 -3.994 3.158 1.00 0.00 C ATOM 0 H LEU A 58 0.927 -1.751 4.499 1.00 0.00 H new ATOM 0 HA LEU A 58 0.284 -1.604 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.218 -3.744 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.819 -3.049 4.018 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.653 -1.966 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.252 -3.381 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.658 -2.618 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.770 -4.335 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.044 -4.029 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.563 -4.974 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.057 -3.719 4.212 1.00 0.00 H new ATOM 859 N LEU A 59 -1.150 0.427 2.001 1.00 0.00 N ATOM 860 CA LEU A 59 -2.022 1.584 2.095 1.00 0.00 C ATOM 861 C LEU A 59 -3.370 1.165 1.520 1.00 0.00 C ATOM 862 O LEU A 59 -3.413 0.693 0.384 1.00 0.00 O ATOM 863 CB LEU A 59 -1.474 2.842 1.376 1.00 0.00 C ATOM 864 CG LEU A 59 -0.036 2.844 0.835 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.264 4.171 0.125 1.00 0.00 C ATOM 866 CD2 LEU A 59 1.046 2.643 1.899 1.00 0.00 C ATOM 0 H LEU A 59 -0.768 0.304 1.063 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.103 1.884 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.138 3.053 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.562 3.678 2.070 1.00 0.00 H new ATOM 0 HG LEU A 59 0.003 1.993 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.286 4.158 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.429 4.304 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.148 4.995 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.028 2.659 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.985 3.444 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.896 1.683 2.393 1.00 0.00 H new ATOM 878 N ILE A 60 -4.461 1.344 2.262 1.00 0.00 N ATOM 879 CA ILE A 60 -5.803 1.120 1.744 1.00 0.00 C ATOM 880 C ILE A 60 -6.714 2.252 2.210 1.00 0.00 C ATOM 881 O ILE A 60 -6.627 2.691 3.360 1.00 0.00 O ATOM 882 CB ILE A 60 -6.289 -0.296 2.131 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.501 -0.669 1.262 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.629 -0.441 3.628 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.907 -2.138 1.361 1.00 0.00 C ATOM 0 H ILE A 60 -4.437 1.647 3.236 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.816 1.144 0.654 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.464 -0.984 1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.348 -0.048 1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.275 -0.434 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.963 -1.459 3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.743 -0.226 4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.422 0.259 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.769 -2.321 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.076 -2.767 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.166 -2.375 2.393 1.00 0.00 H new ATOM 897 N SER A 61 -7.589 2.719 1.325 1.00 0.00 N ATOM 898 CA SER A 61 -8.656 3.627 1.680 1.00 0.00 C ATOM 899 C SER A 61 -9.668 2.840 2.510 1.00 0.00 C ATOM 900 O SER A 61 -10.030 1.718 2.139 1.00 0.00 O ATOM 901 CB SER A 61 -9.240 4.261 0.414 1.00 0.00 C ATOM 902 OG SER A 61 -9.597 5.599 0.705 1.00 0.00 O ATOM 0 H SER A 61 -7.571 2.472 0.336 1.00 0.00 H new ATOM 0 HA SER A 61 -8.306 4.463 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.511 4.231 -0.396 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.112 3.701 0.078 1.00 0.00 H new ATOM 0 HG SER A 61 -10.454 5.809 0.278 1.00 0.00 H new ATOM 908 N ASP A 62 -10.101 3.381 3.655 1.00 0.00 N ATOM 909 CA ASP A 62 -11.034 2.682 4.534 1.00 0.00 C ATOM 910 C ASP A 62 -12.300 2.321 3.768 1.00 0.00 C ATOM 911 O ASP A 62 -12.788 1.223 3.952 1.00 0.00 O ATOM 912 CB ASP A 62 -11.330 3.410 5.856 1.00 0.00 C ATOM 913 CG ASP A 62 -12.511 4.379 5.813 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.337 5.545 5.397 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.600 4.029 6.317 1.00 0.00 O ATOM 0 H ASP A 62 -9.817 4.301 3.991 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.540 1.763 4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.520 2.665 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.439 3.961 6.157 1.00 0.00 H new ATOM 920 N GLU A 63 -12.765 3.125 2.818 1.00 0.00 N ATOM 921 CA GLU A 63 -13.894 2.806 1.947 1.00 0.00 C ATOM 922 C GLU A 63 -13.805 1.406 1.310 1.00 0.00 C ATOM 923 O GLU A 63 -14.823 0.724 1.204 1.00 0.00 O ATOM 924 CB GLU A 63 -14.048 3.918 0.876 1.00 0.00 C ATOM 925 CG GLU A 63 -12.758 4.167 0.069 1.00 0.00 C ATOM 926 CD GLU A 63 -12.727 5.436 -0.793 1.00 0.00 C ATOM 927 OE1 GLU A 63 -13.692 5.723 -1.534 1.00 0.00 O ATOM 928 OE2 GLU A 63 -11.674 6.123 -0.802 1.00 0.00 O ATOM 0 H GLU A 63 -12.358 4.040 2.626 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.789 2.774 2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.850 3.645 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.348 4.845 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.921 4.207 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.590 3.308 -0.581 1.00 0.00 H new ATOM 935 N LEU A 64 -12.606 0.930 0.953 1.00 0.00 N ATOM 936 CA LEU A 64 -12.395 -0.416 0.419 1.00 0.00 C ATOM 937 C LEU A 64 -12.339 -1.440 1.552 1.00 0.00 C ATOM 938 O LEU A 64 -12.938 -2.513 1.481 1.00 0.00 O ATOM 939 CB LEU A 64 -11.084 -0.481 -0.372 1.00 0.00 C ATOM 940 CG LEU A 64 -10.950 0.520 -1.529 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.603 0.268 -2.200 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.073 0.414 -2.567 1.00 0.00 C ATOM 0 H LEU A 64 -11.748 1.476 1.029 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.231 -0.648 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.257 -0.321 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.974 -1.488 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.021 1.526 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.474 0.964 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.802 0.415 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.569 -0.755 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.912 1.151 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.074 -0.586 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.033 0.601 -2.085 1.00 0.00 H new ATOM 954 N PHE A 65 -11.650 -1.109 2.641 1.00 0.00 N ATOM 955 CA PHE A 65 -11.662 -1.899 3.867 1.00 0.00 C ATOM 956 C PHE A 65 -13.092 -2.123 4.403 1.00 0.00 C ATOM 957 O PHE A 65 -13.381 -3.149 5.024 1.00 0.00 O ATOM 958 CB PHE A 65 -10.801 -1.131 4.869 1.00 0.00 C ATOM 959 CG PHE A 65 -10.511 -1.831 6.160 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.755 -3.009 6.138 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.948 -1.271 7.374 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.430 -3.639 7.342 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.641 -1.923 8.584 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.878 -3.107 8.567 1.00 0.00 C ATOM 0 H PHE A 65 -11.063 -0.277 2.697 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.267 -2.899 3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.853 -0.887 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.297 -0.187 5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.426 -3.427 5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.513 -0.351 7.378 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.832 -4.538 7.333 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.989 -1.517 9.522 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.636 -3.607 9.493 1.00 0.00 H new ATOM 974 N ARG A 66 -14.002 -1.185 4.130 1.00 0.00 N ATOM 975 CA ARG A 66 -15.404 -1.166 4.527 1.00 0.00 C ATOM 976 C ARG A 66 -16.313 -1.465 3.335 1.00 0.00 C ATOM 977 O ARG A 66 -17.499 -1.140 3.442 1.00 0.00 O ATOM 978 CB ARG A 66 -15.787 0.213 5.116 1.00 0.00 C ATOM 979 CG ARG A 66 -14.824 0.807 6.149 1.00 0.00 C ATOM 980 CD ARG A 66 -15.533 1.549 7.268 1.00 0.00 C ATOM 981 NE ARG A 66 -14.565 2.220 8.138 1.00 0.00 N ATOM 982 CZ ARG A 66 -14.335 1.983 9.428 1.00 0.00 C ATOM 983 NH1 ARG A 66 -14.927 0.973 10.055 1.00 0.00 N ATOM 984 NH2 ARG A 66 -13.509 2.769 10.106 1.00 0.00 N ATOM 0 H ARG A 66 -13.755 -0.359 3.585 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.539 -1.937 5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.883 0.921 4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.771 0.126 5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.221 0.006 6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.138 1.489 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.220 2.282 6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.132 0.850 7.852 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.002 2.953 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.569 0.364 9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.739 0.806 11.044 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.052 3.552 9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.331 2.590 11.094 1.00 0.00 H new ATOM 998 N HIS A 67 -15.805 -2.020 2.223 1.00 0.00 N ATOM 999 CA HIS A 67 -16.501 -1.986 0.935 1.00 0.00 C ATOM 1000 C HIS A 67 -17.941 -2.468 1.072 1.00 0.00 C ATOM 1001 O HIS A 67 -18.254 -3.390 1.834 1.00 0.00 O ATOM 1002 CB HIS A 67 -15.743 -2.756 -0.156 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.183 -2.440 -1.559 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.385 -2.833 -2.143 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.419 -1.807 -2.494 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.316 -2.427 -3.420 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.158 -1.789 -3.653 1.00 0.00 N ATOM 0 H HIS A 67 -14.906 -2.501 2.195 1.00 0.00 H new ATOM 0 HA HIS A 67 -16.531 -0.945 0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.679 -2.539 -0.064 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -15.866 -3.825 0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.429 -1.400 -2.352 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.086 -2.591 -4.159 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -15.876 -1.365 -4.536 1.00 0.00 H new ATOM 1015 N GLN A 68 -18.828 -1.772 0.377 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.260 -1.967 0.444 1.00 0.00 C ATOM 1017 C GLN A 68 -20.659 -3.387 0.032 1.00 0.00 C ATOM 1018 O GLN A 68 -21.571 -3.968 0.624 1.00 0.00 O ATOM 1019 CB GLN A 68 -20.913 -0.870 -0.401 1.00 0.00 C ATOM 1020 CG GLN A 68 -20.494 -0.785 -1.884 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.177 -1.779 -2.819 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -20.531 -2.306 -3.723 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -22.468 -2.009 -2.667 1.00 0.00 N ATOM 0 H GLN A 68 -18.557 -1.032 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.618 -1.877 1.470 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -21.993 -1.010 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -20.699 0.091 0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.698 0.224 -2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.416 -0.935 -1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.980 -1.559 -1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.953 -2.637 -3.308 1.00 0.00 H new ATOM 1032 N ASP A 69 -19.951 -3.964 -0.932 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.061 -5.362 -1.296 1.00 0.00 C ATOM 1034 C ASP A 69 -19.337 -6.186 -0.246 1.00 0.00 C ATOM 1035 O ASP A 69 -18.127 -6.025 -0.081 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.352 -5.588 -2.625 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.343 -7.047 -3.065 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.105 -7.861 -2.499 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.508 -7.355 -3.948 1.00 0.00 O ATOM 0 H ASP A 69 -19.268 -3.455 -1.493 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.111 -5.645 -1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -19.837 -4.987 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.324 -5.234 -2.545 1.00 0.00 H new ATOM 1044 N VAL A 70 -20.035 -7.089 0.438 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.397 -7.998 1.377 1.00 0.00 C ATOM 1046 C VAL A 70 -18.330 -8.830 0.674 1.00 0.00 C ATOM 1047 O VAL A 70 -17.272 -9.034 1.263 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.453 -8.877 2.066 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.830 -10.017 2.888 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.284 -7.976 2.986 1.00 0.00 C ATOM 0 H VAL A 70 -21.045 -7.208 0.357 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.896 -7.418 2.152 1.00 0.00 H new ATOM 0 HB VAL A 70 -21.068 -9.345 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.621 -10.605 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -19.239 -10.657 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -19.187 -9.598 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.044 -8.573 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.633 -7.515 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.767 -7.198 2.394 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.568 -9.300 -0.553 1.00 0.00 N ATOM 1061 CA ALA A 71 -17.646 -10.180 -1.251 1.00 0.00 C ATOM 1062 C ALA A 71 -16.325 -9.452 -1.511 1.00 0.00 C ATOM 1063 O ALA A 71 -15.273 -9.880 -1.035 1.00 0.00 O ATOM 1064 CB ALA A 71 -18.294 -10.703 -2.539 1.00 0.00 C ATOM 0 H ALA A 71 -19.409 -9.077 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 71 -17.419 -11.047 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -17.596 -11.362 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.200 -11.256 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.547 -9.863 -3.186 1.00 0.00 H new ATOM 1070 N THR A 72 -16.367 -8.345 -2.252 1.00 0.00 N ATOM 1071 CA THR A 72 -15.217 -7.484 -2.526 1.00 0.00 C ATOM 1072 C THR A 72 -14.578 -6.982 -1.230 1.00 0.00 C ATOM 1073 O THR A 72 -13.358 -7.088 -1.100 1.00 0.00 O ATOM 1074 CB THR A 72 -15.688 -6.363 -3.456 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.016 -6.961 -4.696 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.773 -5.163 -3.666 1.00 0.00 C ATOM 0 H THR A 72 -17.226 -8.013 -2.690 1.00 0.00 H new ATOM 0 HA THR A 72 -14.423 -8.038 -3.027 1.00 0.00 H new ATOM 0 HB THR A 72 -16.535 -5.903 -2.947 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.984 -7.110 -4.742 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.248 -4.459 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.590 -4.673 -2.710 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.826 -5.497 -4.090 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.349 -6.519 -0.237 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.769 -6.238 1.080 1.00 0.00 C ATOM 1086 C ARG A 73 -13.965 -7.422 1.610 1.00 0.00 C ATOM 1087 O ARG A 73 -12.832 -7.243 2.049 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.864 -5.858 2.073 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.229 -5.337 3.355 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.328 -4.901 4.309 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.822 -4.629 5.658 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.588 -4.675 6.752 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.915 -4.748 6.637 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -16.033 -4.650 7.953 1.00 0.00 N ATOM 0 H ARG A 73 -16.349 -6.335 -0.317 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.084 -5.398 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.513 -5.097 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.489 -6.724 2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.617 -6.113 3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.568 -4.499 3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.811 -4.006 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.091 -5.678 4.360 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.836 -4.393 5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.346 -4.769 5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.498 -4.783 7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.019 -4.595 8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.620 -4.685 8.787 1.00 0.00 H new ATOM 1108 N SER A 74 -14.535 -8.623 1.571 1.00 0.00 N ATOM 1109 CA SER A 74 -13.896 -9.841 2.030 1.00 0.00 C ATOM 1110 C SER A 74 -12.600 -10.186 1.281 1.00 0.00 C ATOM 1111 O SER A 74 -11.864 -11.029 1.789 1.00 0.00 O ATOM 1112 CB SER A 74 -14.897 -11.007 1.986 1.00 0.00 C ATOM 1113 OG SER A 74 -15.381 -11.289 3.284 1.00 0.00 O ATOM 0 H SER A 74 -15.477 -8.774 1.210 1.00 0.00 H new ATOM 0 HA SER A 74 -13.589 -9.664 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.728 -10.756 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.416 -11.892 1.570 1.00 0.00 H new ATOM 0 HG SER A 74 -16.019 -12.032 3.241 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.286 -9.565 0.136 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.940 -9.581 -0.444 1.00 0.00 C ATOM 1121 C ARG A 75 -10.058 -8.642 0.357 1.00 0.00 C ATOM 1122 O ARG A 75 -9.117 -9.098 1.002 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.956 -9.158 -1.927 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.709 -10.134 -2.832 1.00 0.00 C ATOM 1125 CD ARG A 75 -11.814 -9.550 -4.241 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.273 -10.557 -5.196 1.00 0.00 N ATOM 1127 CZ ARG A 75 -13.167 -10.440 -6.176 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -13.896 -9.338 -6.332 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -13.274 -11.451 -7.029 1.00 0.00 N ATOM 0 H ARG A 75 -12.962 -9.036 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.549 -10.598 -0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.413 -8.172 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.929 -9.065 -2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.190 -11.092 -2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.705 -10.323 -2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.504 -8.706 -4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.843 -9.166 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.849 -11.479 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.778 -8.553 -5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.573 -9.278 -7.092 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.684 -12.276 -6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.946 -11.403 -7.795 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.377 -7.345 0.354 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.563 -6.326 0.994 1.00 0.00 C ATOM 1145 C TYR A 76 -9.197 -6.702 2.427 1.00 0.00 C ATOM 1146 O TYR A 76 -8.015 -6.722 2.749 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.269 -4.968 0.933 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.452 -4.424 -0.472 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.337 -4.154 -1.292 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.745 -4.176 -0.961 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.513 -3.630 -2.587 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.925 -3.646 -2.247 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.814 -3.367 -3.068 1.00 0.00 C ATOM 1154 OH TYR A 76 -11.014 -2.842 -4.307 1.00 0.00 O ATOM 0 H TYR A 76 -11.214 -6.977 -0.097 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.625 -6.252 0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.247 -5.058 1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.697 -4.247 1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.341 -4.351 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.604 -4.394 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.655 -3.430 -3.211 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.923 -3.450 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.975 -2.731 -4.464 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.159 -7.026 3.293 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.853 -7.351 4.693 1.00 0.00 C ATOM 1166 C VAL A 77 -8.926 -8.569 4.799 1.00 0.00 C ATOM 1167 O VAL A 77 -8.044 -8.597 5.657 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.136 -7.533 5.528 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.066 -6.330 5.343 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.912 -8.806 5.160 1.00 0.00 C ATOM 0 H VAL A 77 -11.150 -7.071 3.055 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.316 -6.501 5.114 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.814 -7.619 6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.968 -6.472 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.556 -5.423 5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.337 -6.238 4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.805 -8.880 5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.202 -8.764 4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.280 -9.678 5.328 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.090 -9.563 3.916 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.231 -10.739 3.904 1.00 0.00 C ATOM 1182 C ARG A 78 -6.807 -10.365 3.555 1.00 0.00 C ATOM 1183 O ARG A 78 -5.876 -10.806 4.227 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.726 -11.809 2.933 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.769 -12.692 3.594 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.861 -14.014 2.846 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.702 -14.935 3.610 1.00 0.00 N ATOM 1188 CZ ARG A 78 -10.445 -16.218 3.858 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -9.617 -16.930 3.103 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -11.044 -16.761 4.910 1.00 0.00 N ATOM 0 H ARG A 78 -9.816 -9.569 3.200 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.263 -11.155 4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.151 -11.335 2.048 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.887 -12.418 2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.503 -12.869 4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.738 -12.193 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.281 -13.856 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.867 -14.439 2.708 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.570 -14.558 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.155 -16.496 2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.443 -17.911 3.322 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.669 -16.199 5.487 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.879 -17.741 5.141 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.635 -9.567 2.509 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.343 -9.066 2.083 1.00 0.00 C ATOM 1206 C LEU A 79 -4.705 -8.234 3.196 1.00 0.00 C ATOM 1207 O LEU A 79 -3.539 -8.434 3.513 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.560 -8.286 0.781 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.338 -7.496 0.289 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.151 -8.415 -0.013 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.739 -6.756 -0.987 1.00 0.00 C ATOM 0 H LEU A 79 -7.407 -9.246 1.925 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.639 -9.875 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.860 -8.986 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.389 -7.593 0.924 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.027 -6.803 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.307 -7.818 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.869 -8.954 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.431 -9.129 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.888 -6.185 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.051 -7.477 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.564 -6.078 -0.770 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.461 -7.325 3.812 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.996 -6.454 4.886 1.00 0.00 C ATOM 1225 C VAL A 80 -4.516 -7.284 6.086 1.00 0.00 C ATOM 1226 O VAL A 80 -3.526 -6.932 6.728 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.126 -5.455 5.229 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.782 -4.557 6.413 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.458 -4.483 4.088 1.00 0.00 C ATOM 0 H VAL A 80 -6.440 -7.172 3.569 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.128 -5.875 4.572 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.969 -6.111 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.612 -3.877 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.602 -5.171 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.886 -3.980 6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.259 -3.814 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.573 -3.898 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.779 -5.046 3.212 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.191 -8.378 6.429 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.772 -9.261 7.511 1.00 0.00 C ATOM 1241 C ASP A 81 -3.572 -10.096 7.095 1.00 0.00 C ATOM 1242 O ASP A 81 -2.614 -10.200 7.854 1.00 0.00 O ATOM 1243 CB ASP A 81 -5.956 -10.132 7.942 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.719 -9.535 9.124 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -6.580 -8.320 9.409 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -7.506 -10.268 9.759 1.00 0.00 O ATOM 0 H ASP A 81 -6.047 -8.677 5.962 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.456 -8.664 8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.637 -10.258 7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.595 -11.125 8.210 1.00 0.00 H new ATOM 1251 N SER A 82 -3.567 -10.637 5.880 1.00 0.00 N ATOM 1252 CA SER A 82 -2.456 -11.434 5.387 1.00 0.00 C ATOM 1253 C SER A 82 -1.181 -10.590 5.264 1.00 0.00 C ATOM 1254 O SER A 82 -0.086 -11.111 5.434 1.00 0.00 O ATOM 1255 CB SER A 82 -2.885 -12.084 4.073 1.00 0.00 C ATOM 1256 OG SER A 82 -1.900 -12.928 3.522 1.00 0.00 O ATOM 0 H SER A 82 -4.332 -10.534 5.214 1.00 0.00 H new ATOM 0 HA SER A 82 -2.204 -12.225 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.795 -12.660 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.130 -11.304 3.352 1.00 0.00 H new ATOM 0 HG SER A 82 -2.232 -13.315 2.685 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.272 -9.279 5.035 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.094 -8.427 5.111 1.00 0.00 C ATOM 1264 C VAL A 83 0.449 -8.388 6.547 1.00 0.00 C ATOM 1265 O VAL A 83 1.670 -8.391 6.709 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.409 -7.039 4.517 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.631 -5.976 4.899 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.451 -7.157 2.982 1.00 0.00 C ATOM 0 H VAL A 83 -2.138 -8.794 4.799 1.00 0.00 H new ATOM 0 HA VAL A 83 0.711 -8.842 4.504 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.368 -6.720 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.356 -5.021 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.664 -5.873 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.612 -6.279 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.673 -6.182 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.515 -7.505 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.225 -7.868 2.693 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.394 -8.401 7.592 1.00 0.00 N ATOM 1279 CA LYS A 84 0.122 -8.515 8.958 1.00 0.00 C ATOM 1280 C LYS A 84 0.821 -9.855 9.136 1.00 0.00 C ATOM 1281 O LYS A 84 1.928 -9.873 9.683 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.956 -8.361 10.042 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.548 -6.952 10.109 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.437 -6.840 11.353 1.00 0.00 C ATOM 1285 CE LYS A 84 -2.996 -5.423 11.499 1.00 0.00 C ATOM 1286 NZ LYS A 84 -3.858 -5.283 12.686 1.00 0.00 N ATOM 0 H LYS A 84 -1.409 -8.336 7.518 1.00 0.00 H new ATOM 0 HA LYS A 84 0.821 -7.689 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.757 -9.076 9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.526 -8.614 11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.750 -6.210 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.130 -6.746 9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.258 -7.554 11.284 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.861 -7.101 12.241 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.171 -4.714 11.566 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.566 -5.165 10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.213 -4.307 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.661 -5.940 12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.309 -5.503 13.542 1.00 0.00 H new ATOM 1300 N GLU A 85 0.196 -10.937 8.667 1.00 0.00 N ATOM 1301 CA GLU A 85 0.758 -12.285 8.682 1.00 0.00 C ATOM 1302 C GLU A 85 2.129 -12.300 7.996 1.00 0.00 C ATOM 1303 O GLU A 85 3.041 -12.996 8.434 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.193 -13.287 8.012 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.538 -13.459 8.719 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.417 -14.353 9.947 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -0.848 -13.889 10.961 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -1.874 -15.516 9.923 1.00 0.00 O ATOM 0 H GLU A 85 -0.737 -10.897 8.257 1.00 0.00 H new ATOM 0 HA GLU A 85 0.886 -12.588 9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.375 -12.965 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.301 -14.257 7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.921 -12.483 9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.262 -13.888 8.026 1.00 0.00 H new ATOM 1315 N ASN A 86 2.293 -11.524 6.925 1.00 0.00 N ATOM 1316 CA ASN A 86 3.488 -11.480 6.080 1.00 0.00 C ATOM 1317 C ASN A 86 4.454 -10.383 6.542 1.00 0.00 C ATOM 1318 O ASN A 86 5.313 -9.937 5.772 1.00 0.00 O ATOM 1319 CB ASN A 86 3.078 -11.337 4.606 1.00 0.00 C ATOM 1320 CG ASN A 86 2.299 -12.548 4.105 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.056 -13.511 4.828 1.00 0.00 O ATOM 1322 ND2 ASN A 86 1.948 -12.581 2.839 1.00 0.00 N ATOM 0 H ASN A 86 1.567 -10.882 6.608 1.00 0.00 H new ATOM 0 HA ASN A 86 4.034 -12.418 6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.470 -10.441 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.970 -11.202 3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.477 -13.403 2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.147 -11.785 2.234 1.00 0.00 H new ATOM 1329 N ALA A 87 4.317 -9.947 7.799 1.00 0.00 N ATOM 1330 CA ALA A 87 5.185 -9.018 8.510 1.00 0.00 C ATOM 1331 C ALA A 87 5.253 -7.621 7.880 1.00 0.00 C ATOM 1332 O ALA A 87 6.249 -6.916 8.063 1.00 0.00 O ATOM 1333 CB ALA A 87 6.563 -9.650 8.728 1.00 0.00 C ATOM 0 H ALA A 87 3.541 -10.259 8.382 1.00 0.00 H new ATOM 0 HA ALA A 87 4.736 -8.838 9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.205 -8.948 9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.456 -10.562 9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.010 -9.891 7.763 1.00 0.00 H new ATOM 1339 N GLY A 88 4.203 -7.196 7.180 1.00 0.00 N ATOM 1340 CA GLY A 88 4.028 -5.819 6.751 1.00 0.00 C ATOM 1341 C GLY A 88 3.171 -5.039 7.744 1.00 0.00 C ATOM 1342 O GLY A 88 2.448 -5.614 8.567 1.00 0.00 O ATOM 0 H GLY A 88 3.442 -7.811 6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.002 -5.339 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.560 -5.798 5.767 1.00 0.00 H new ATOM 1346 N THR A 89 3.238 -3.716 7.641 1.00 0.00 N ATOM 1347 CA THR A 89 2.384 -2.768 8.336 1.00 0.00 C ATOM 1348 C THR A 89 1.111 -2.544 7.515 1.00 0.00 C ATOM 1349 O THR A 89 1.148 -2.497 6.282 1.00 0.00 O ATOM 1350 CB THR A 89 3.165 -1.454 8.518 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.348 -1.700 9.258 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.363 -0.366 9.240 1.00 0.00 C ATOM 0 H THR A 89 3.923 -3.257 7.041 1.00 0.00 H new ATOM 0 HA THR A 89 2.096 -3.148 9.316 1.00 0.00 H new ATOM 0 HB THR A 89 3.389 -1.091 7.515 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.844 -0.862 9.371 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.972 0.533 9.335 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.464 -0.136 8.668 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.081 -0.720 10.232 1.00 0.00 H new ATOM 1360 N VAL A 90 -0.011 -2.328 8.193 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.260 -1.896 7.594 1.00 0.00 C ATOM 1362 C VAL A 90 -1.393 -0.392 7.817 1.00 0.00 C ATOM 1363 O VAL A 90 -1.116 0.132 8.902 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.409 -2.709 8.218 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.793 -2.136 7.902 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.319 -4.168 7.754 1.00 0.00 C ATOM 0 H VAL A 90 -0.074 -2.453 9.203 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.291 -2.074 6.519 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.292 -2.651 9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.559 -2.755 8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.862 -1.119 8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.945 -2.126 6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.133 -4.742 8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.395 -4.210 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.365 -4.591 8.067 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.864 0.309 6.791 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.226 1.711 6.826 1.00 0.00 C ATOM 1378 C ARG A 91 -3.624 1.784 6.262 1.00 0.00 C ATOM 1379 O ARG A 91 -3.843 1.386 5.121 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.252 2.517 5.947 1.00 0.00 C ATOM 1381 CG ARG A 91 0.183 2.566 6.466 1.00 0.00 C ATOM 1382 CD ARG A 91 0.295 3.578 7.589 1.00 0.00 C ATOM 1383 NE ARG A 91 1.580 3.487 8.282 1.00 0.00 N ATOM 1384 CZ ARG A 91 1.806 3.975 9.500 1.00 0.00 C ATOM 1385 NH1 ARG A 91 0.872 4.678 10.139 1.00 0.00 N ATOM 1386 NH2 ARG A 91 2.986 3.744 10.059 1.00 0.00 N ATOM 0 H ARG A 91 -2.008 -0.110 5.872 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.180 2.123 7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.247 2.087 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.626 3.537 5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.483 1.581 6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.862 2.833 5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.171 4.583 7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.514 3.419 8.302 1.00 0.00 H new ATOM 0 HE ARG A 91 2.350 3.021 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.031 4.849 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.059 5.046 11.072 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.692 3.205 9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.188 4.105 10.991 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.549 2.301 7.057 1.00 0.00 N ATOM 1401 CA ILE A 92 -5.928 2.492 6.668 1.00 0.00 C ATOM 1402 C ILE A 92 -6.101 3.994 6.703 1.00 0.00 C ATOM 1403 O ILE A 92 -5.756 4.648 7.690 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.875 1.702 7.586 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.593 0.200 7.372 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.345 2.031 7.272 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -7.191 -0.686 8.454 1.00 0.00 C ATOM 0 H ILE A 92 -4.352 2.604 8.011 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.177 2.106 5.679 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.702 1.974 8.627 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.991 -0.103 6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.515 0.041 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.995 1.460 7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.520 3.096 7.422 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.563 1.770 6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.955 -1.729 8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.774 -0.409 9.422 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.273 -0.556 8.474 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.490 4.527 5.557 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.650 5.943 5.329 1.00 0.00 C ATOM 1421 C PHE A 93 -8.113 6.259 5.583 1.00 0.00 C ATOM 1422 O PHE A 93 -8.972 5.621 4.980 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.321 6.273 3.867 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.881 6.218 3.391 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.849 5.515 4.046 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.588 6.906 2.208 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.525 5.607 3.575 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.272 7.006 1.747 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.227 6.381 2.442 1.00 0.00 C ATOM 0 H PHE A 93 -6.709 3.962 4.736 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.990 6.520 5.977 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.897 5.591 3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.692 7.279 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.074 4.906 4.909 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.387 7.365 1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.735 5.079 4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -3.059 7.568 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.205 6.493 2.110 1.00 0.00 H new ATOM 1439 N SER A 94 -8.406 7.254 6.416 1.00 0.00 N ATOM 1440 CA SER A 94 -9.748 7.811 6.450 1.00 0.00 C ATOM 1441 C SER A 94 -10.058 8.395 5.070 1.00 0.00 C ATOM 1442 O SER A 94 -9.380 9.330 4.642 1.00 0.00 O ATOM 1443 CB SER A 94 -9.847 8.897 7.516 1.00 0.00 C ATOM 1444 OG SER A 94 -9.441 8.421 8.789 1.00 0.00 O ATOM 0 H SER A 94 -7.744 7.682 7.063 1.00 0.00 H new ATOM 0 HA SER A 94 -10.468 7.031 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.226 9.746 7.230 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.874 9.258 7.573 1.00 0.00 H new ATOM 0 HG SER A 94 -9.516 9.143 9.447 1.00 0.00 H new ATOM 1450 N SER A 95 -11.065 7.856 4.389 1.00 0.00 N ATOM 1451 CA SER A 95 -11.483 8.251 3.044 1.00 0.00 C ATOM 1452 C SER A 95 -11.877 9.732 2.965 1.00 0.00 C ATOM 1453 O SER A 95 -11.807 10.341 1.900 1.00 0.00 O ATOM 1454 CB SER A 95 -12.671 7.377 2.631 1.00 0.00 C ATOM 1455 OG SER A 95 -12.378 6.011 2.854 1.00 0.00 O ATOM 0 H SER A 95 -11.636 7.102 4.772 1.00 0.00 H new ATOM 0 HA SER A 95 -10.640 8.110 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.556 7.663 3.199 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.902 7.539 1.578 1.00 0.00 H new ATOM 0 HG SER A 95 -12.680 5.754 3.750 1.00 0.00 H new ATOM 1461 N LEU A 96 -12.284 10.317 4.096 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.680 11.702 4.243 1.00 0.00 C ATOM 1463 C LEU A 96 -11.494 12.652 4.064 1.00 0.00 C ATOM 1464 O LEU A 96 -11.696 13.824 3.747 1.00 0.00 O ATOM 1465 CB LEU A 96 -13.240 11.854 5.665 1.00 0.00 C ATOM 1466 CG LEU A 96 -14.568 11.133 5.967 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -15.735 11.860 5.295 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -14.652 9.628 5.672 1.00 0.00 C ATOM 0 H LEU A 96 -12.346 9.801 4.974 1.00 0.00 H new ATOM 0 HA LEU A 96 -13.417 11.957 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.489 11.492 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.377 12.917 5.865 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.627 11.182 7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.666 11.338 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.793 12.881 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.579 11.879 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.644 9.261 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.470 9.454 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.902 9.099 6.260 1.00 0.00 H new ATOM 1480 N HIS A 97 -10.279 12.171 4.340 1.00 0.00 N ATOM 1481 CA HIS A 97 -9.024 12.867 4.181 1.00 0.00 C ATOM 1482 C HIS A 97 -8.578 12.785 2.720 1.00 0.00 C ATOM 1483 O HIS A 97 -8.722 11.740 2.084 1.00 0.00 O ATOM 1484 CB HIS A 97 -8.014 12.145 5.085 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.842 12.988 5.473 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -5.545 12.886 5.029 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.901 13.989 6.390 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.833 13.842 5.647 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -5.614 14.537 6.502 1.00 0.00 N ATOM 0 H HIS A 97 -10.150 11.226 4.702 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.108 13.920 4.449 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.524 11.810 5.988 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.654 11.253 4.572 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.779 14.305 6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.782 14.029 5.483 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.326 15.306 7.107 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.899 13.818 2.221 1.00 0.00 N ATOM 1498 CA VAL A 98 -7.393 13.886 0.850 1.00 0.00 C ATOM 1499 C VAL A 98 -6.405 12.751 0.537 1.00 0.00 C ATOM 1500 O VAL A 98 -6.101 12.492 -0.628 1.00 0.00 O ATOM 1501 CB VAL A 98 -6.784 15.284 0.618 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -5.389 15.409 1.248 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -6.711 15.663 -0.869 1.00 0.00 C ATOM 0 H VAL A 98 -7.681 14.649 2.771 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.219 13.741 0.154 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.461 15.982 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.994 16.408 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.459 15.240 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.723 14.668 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.274 16.656 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.092 14.939 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.715 15.663 -1.294 1.00 0.00 H new ATOM 1513 N SER A 99 -5.867 12.062 1.545 1.00 0.00 N ATOM 1514 CA SER A 99 -5.063 10.870 1.335 1.00 0.00 C ATOM 1515 C SER A 99 -5.861 9.776 0.620 1.00 0.00 C ATOM 1516 O SER A 99 -5.279 9.077 -0.205 1.00 0.00 O ATOM 1517 CB SER A 99 -4.481 10.412 2.669 1.00 0.00 C ATOM 1518 OG SER A 99 -5.474 10.312 3.678 1.00 0.00 O ATOM 0 H SER A 99 -5.980 12.319 2.526 1.00 0.00 H new ATOM 0 HA SER A 99 -4.230 11.103 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.997 9.444 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.710 11.114 2.988 1.00 0.00 H new ATOM 0 HG SER A 99 -5.467 11.125 4.225 1.00 0.00 H new ATOM 1524 N GLY A 100 -7.164 9.640 0.903 1.00 0.00 N ATOM 1525 CA GLY A 100 -8.030 8.700 0.206 1.00 0.00 C ATOM 1526 C GLY A 100 -8.124 9.072 -1.269 1.00 0.00 C ATOM 1527 O GLY A 100 -8.068 8.195 -2.125 1.00 0.00 O ATOM 0 H GLY A 100 -7.640 10.183 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.640 7.688 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.023 8.706 0.655 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.187 10.371 -1.578 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.289 10.884 -2.940 1.00 0.00 C ATOM 1533 C GLU A 101 -6.972 10.727 -3.702 1.00 0.00 C ATOM 1534 O GLU A 101 -6.968 10.409 -4.890 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.714 12.357 -2.924 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.995 12.576 -2.112 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.709 13.843 -2.561 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -10.255 14.959 -2.221 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.739 13.704 -3.264 1.00 0.00 O ATOM 0 H GLU A 101 -8.168 11.106 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.047 10.296 -3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.910 12.962 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.870 12.701 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.657 11.718 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.751 12.647 -1.052 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.836 10.933 -3.035 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.530 10.594 -3.571 1.00 0.00 C ATOM 1548 C GLN A 102 -4.498 9.107 -3.924 1.00 0.00 C ATOM 1549 O GLN A 102 -4.165 8.765 -5.060 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.448 10.995 -2.558 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.144 12.493 -2.676 1.00 0.00 C ATOM 1552 CD GLN A 102 -2.526 13.085 -1.421 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -3.283 13.081 -0.352 1.00 0.00 O flip ATOM 1554 NE2 GLN A 102 -1.401 13.579 -1.396 1.00 0.00 N flip ATOM 0 H GLN A 102 -5.803 11.343 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.330 11.145 -4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.782 10.762 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.541 10.417 -2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.468 12.654 -3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.067 13.026 -2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.823 13.575 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.045 13.993 -0.535 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.885 8.230 -2.990 1.00 0.00 N ATOM 1564 CA LEU A 103 -4.901 6.793 -3.223 1.00 0.00 C ATOM 1565 C LEU A 103 -5.904 6.388 -4.300 1.00 0.00 C ATOM 1566 O LEU A 103 -5.671 5.407 -4.990 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.220 6.039 -1.920 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.546 4.662 -1.812 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.031 4.667 -1.985 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -4.868 4.064 -0.440 1.00 0.00 C ATOM 0 H LEU A 103 -5.194 8.502 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.905 6.523 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.910 6.651 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.300 5.911 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.945 4.073 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.651 3.650 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.779 5.060 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.579 5.295 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.396 3.086 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.490 4.723 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.948 3.957 -0.334 1.00 0.00 H new ATOM 1582 N SER A 104 -7.008 7.115 -4.449 1.00 0.00 N ATOM 1583 CA SER A 104 -8.116 6.836 -5.364 1.00 0.00 C ATOM 1584 C SER A 104 -7.634 6.764 -6.811 1.00 0.00 C ATOM 1585 O SER A 104 -8.092 5.918 -7.583 1.00 0.00 O ATOM 1586 CB SER A 104 -9.158 7.948 -5.198 1.00 0.00 C ATOM 1587 OG SER A 104 -10.287 7.782 -6.029 1.00 0.00 O ATOM 0 H SER A 104 -7.164 7.963 -3.904 1.00 0.00 H new ATOM 0 HA SER A 104 -8.554 5.867 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.482 7.980 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.692 8.909 -5.417 1.00 0.00 H new ATOM 0 HG SER A 104 -10.915 8.519 -5.878 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.675 7.618 -7.176 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.976 7.582 -8.458 1.00 0.00 C ATOM 1595 C GLN A 105 -5.410 6.185 -8.732 1.00 0.00 C ATOM 1596 O GLN A 105 -5.381 5.728 -9.871 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.834 8.597 -8.396 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.306 10.055 -8.294 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.131 11.001 -8.103 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -3.833 11.833 -8.957 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -3.410 10.876 -7.001 1.00 0.00 N ATOM 0 H GLN A 105 -6.356 8.374 -6.570 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.670 7.825 -9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.203 8.368 -7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.214 8.487 -9.286 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.852 10.327 -9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.999 10.158 -7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.667 10.182 -6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.597 11.474 -6.853 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.001 5.494 -7.671 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.365 4.191 -7.628 1.00 0.00 C ATOM 1612 C LEU A 106 -5.370 3.130 -7.140 1.00 0.00 C ATOM 1613 O LEU A 106 -4.993 2.176 -6.460 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.145 4.269 -6.688 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.122 5.388 -6.961 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.177 5.472 -5.764 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.314 5.143 -8.239 1.00 0.00 C ATOM 0 H LEU A 106 -5.121 5.874 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.032 3.902 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.510 4.386 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.622 3.314 -6.732 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.664 6.323 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.442 6.259 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.749 5.699 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.664 4.518 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.608 5.960 -8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.768 4.204 -8.150 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.990 5.091 -9.092 1.00 0.00 H new ATOM 1629 N THR A 107 -6.663 3.299 -7.432 1.00 0.00 N ATOM 1630 CA THR A 107 -7.812 2.460 -7.056 1.00 0.00 C ATOM 1631 C THR A 107 -8.230 2.617 -5.583 1.00 0.00 C ATOM 1632 O THR A 107 -9.334 2.213 -5.211 1.00 0.00 O ATOM 1633 CB THR A 107 -7.628 0.965 -7.422 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.834 0.297 -6.472 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.002 0.675 -8.789 1.00 0.00 C ATOM 0 H THR A 107 -6.963 4.099 -7.989 1.00 0.00 H new ATOM 0 HA THR A 107 -8.632 2.842 -7.664 1.00 0.00 H new ATOM 0 HB THR A 107 -8.656 0.604 -7.444 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.947 0.712 -6.437 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.924 -0.403 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.627 1.101 -9.573 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.008 1.120 -8.836 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.377 3.214 -4.751 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.487 3.323 -3.305 1.00 0.00 C ATOM 1645 C GLY A 108 -6.827 2.158 -2.562 1.00 0.00 C ATOM 1646 O GLY A 108 -7.064 2.020 -1.365 1.00 0.00 O ATOM 0 H GLY A 108 -6.531 3.665 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.030 4.258 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.541 3.371 -3.030 1.00 0.00 H new ATOM 1650 N VAL A 109 -5.984 1.340 -3.208 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.151 0.360 -2.511 1.00 0.00 C ATOM 1652 C VAL A 109 -3.780 0.303 -3.186 1.00 0.00 C ATOM 1653 O VAL A 109 -3.687 0.230 -4.417 1.00 0.00 O ATOM 1654 CB VAL A 109 -5.872 -1.004 -2.421 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.010 -1.715 -3.769 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.191 -1.970 -1.447 1.00 0.00 C ATOM 0 H VAL A 109 -5.863 1.341 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.983 0.661 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.866 -0.746 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.525 -2.665 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.583 -1.089 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.020 -1.898 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.740 -2.911 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.168 -2.155 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.180 -1.532 -0.449 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.714 0.347 -2.389 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.338 0.262 -2.853 1.00 0.00 C ATOM 1668 C ALA A 110 -0.444 -0.270 -1.731 1.00 0.00 C ATOM 1669 O ALA A 110 -0.921 -0.471 -0.620 1.00 0.00 O ATOM 1670 CB ALA A 110 -0.892 1.645 -3.337 1.00 0.00 C ATOM 0 H ALA A 110 -2.790 0.445 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.258 -0.434 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.139 1.593 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.537 1.970 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.960 2.358 -2.515 1.00 0.00 H new ATOM 1676 N ALA A 111 0.842 -0.517 -1.981 1.00 0.00 N ATOM 1677 CA ALA A 111 1.774 -0.980 -0.965 1.00 0.00 C ATOM 1678 C ALA A 111 3.223 -0.702 -1.373 1.00 0.00 C ATOM 1679 O ALA A 111 3.575 -0.825 -2.550 1.00 0.00 O ATOM 1680 CB ALA A 111 1.595 -2.490 -0.742 1.00 0.00 C ATOM 0 H ALA A 111 1.264 -0.399 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 111 1.561 -0.438 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.296 -2.831 0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.575 -2.691 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.787 -3.021 -1.675 1.00 0.00 H new ATOM 1686 N ILE A 112 4.059 -0.376 -0.389 1.00 0.00 N ATOM 1687 CA ILE A 112 5.503 -0.261 -0.506 1.00 0.00 C ATOM 1688 C ILE A 112 6.066 -1.669 -0.345 1.00 0.00 C ATOM 1689 O ILE A 112 5.585 -2.435 0.502 1.00 0.00 O ATOM 1690 CB ILE A 112 6.065 0.665 0.601 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.471 2.086 0.492 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.601 0.705 0.489 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.759 2.987 1.706 1.00 0.00 C ATOM 0 H ILE A 112 3.727 -0.176 0.555 1.00 0.00 H new ATOM 0 HA ILE A 112 5.782 0.171 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 112 5.782 0.269 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.867 2.565 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.392 2.007 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.006 1.355 1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.001 -0.301 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.884 1.090 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.307 3.966 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.338 2.534 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.836 3.100 1.828 1.00 0.00 H new ATOM 1705 N LEU A 113 7.120 -1.980 -1.098 1.00 0.00 N ATOM 1706 CA LEU A 113 7.789 -3.265 -1.058 1.00 0.00 C ATOM 1707 C LEU A 113 9.223 -3.107 -0.592 1.00 0.00 C ATOM 1708 O LEU A 113 9.896 -2.120 -0.888 1.00 0.00 O ATOM 1709 CB LEU A 113 7.824 -3.927 -2.435 1.00 0.00 C ATOM 1710 CG LEU A 113 6.451 -4.071 -3.095 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.590 -4.217 -4.599 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.672 -5.270 -2.591 1.00 0.00 C ATOM 0 H LEU A 113 7.535 -1.328 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 113 7.223 -3.887 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.471 -3.343 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.275 -4.915 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 113 5.907 -3.163 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.602 -4.318 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.085 -3.335 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.183 -5.103 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.708 -5.317 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.234 -6.181 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.513 -5.175 -1.517 1.00 0.00 H new ATOM 1724 N ARG A 114 9.727 -4.165 0.033 1.00 0.00 N ATOM 1725 CA ARG A 114 11.128 -4.318 0.382 1.00 0.00 C ATOM 1726 C ARG A 114 11.992 -4.377 -0.870 1.00 0.00 C ATOM 1727 O ARG A 114 12.966 -3.630 -0.974 1.00 0.00 O ATOM 1728 CB ARG A 114 11.301 -5.581 1.235 1.00 0.00 C ATOM 1729 CG ARG A 114 10.442 -5.533 2.506 1.00 0.00 C ATOM 1730 CD ARG A 114 11.127 -6.243 3.663 1.00 0.00 C ATOM 1731 NE ARG A 114 12.146 -5.348 4.246 1.00 0.00 N ATOM 1732 CZ ARG A 114 12.465 -5.172 5.530 1.00 0.00 C ATOM 1733 NH1 ARG A 114 11.894 -5.904 6.477 1.00 0.00 N ATOM 1734 NH2 ARG A 114 13.365 -4.261 5.873 1.00 0.00 N ATOM 0 H ARG A 114 9.154 -4.960 0.317 1.00 0.00 H new ATOM 0 HA ARG A 114 11.453 -3.453 0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 114 11.030 -6.457 0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.350 -5.693 1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.248 -4.495 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.475 -5.998 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 114 10.394 -6.521 4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.592 -7.166 3.315 1.00 0.00 H new ATOM 0 HE ARG A 114 12.677 -4.789 3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 114 11.202 -6.611 6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 114 12.146 -5.760 7.455 1.00 0.00 H new ATOM 0 HH21 ARG A 114 13.815 -3.693 5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 114 13.607 -4.128 6.855 1.00 0.00 H new ATOM 1748 N PHE A 115 11.642 -5.259 -1.809 1.00 0.00 N ATOM 1749 CA PHE A 115 12.448 -5.617 -2.969 1.00 0.00 C ATOM 1750 C PHE A 115 11.618 -5.508 -4.253 1.00 0.00 C ATOM 1751 O PHE A 115 10.391 -5.599 -4.177 1.00 0.00 O ATOM 1752 CB PHE A 115 13.041 -7.021 -2.772 1.00 0.00 C ATOM 1753 CG PHE A 115 12.104 -8.110 -2.283 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.311 -8.864 -3.175 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.105 -8.434 -0.915 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.604 -9.985 -2.706 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.362 -9.523 -0.441 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.645 -10.325 -1.342 1.00 0.00 C ATOM 0 H PHE A 115 10.754 -5.760 -1.777 1.00 0.00 H new ATOM 0 HA PHE A 115 13.278 -4.918 -3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.467 -7.344 -3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.866 -6.942 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.248 -8.580 -4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.683 -7.839 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 115 10.028 -10.586 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.341 -9.745 0.616 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.125 -11.203 -0.988 1.00 0.00 H new ATOM 1768 N PRO A 116 12.261 -5.289 -5.416 1.00 0.00 N ATOM 1769 CA PRO A 116 11.596 -5.117 -6.696 1.00 0.00 C ATOM 1770 C PRO A 116 11.114 -6.480 -7.185 1.00 0.00 C ATOM 1771 O PRO A 116 11.922 -7.340 -7.548 1.00 0.00 O ATOM 1772 CB PRO A 116 12.637 -4.482 -7.618 1.00 0.00 C ATOM 1773 CG PRO A 116 13.967 -4.988 -7.081 1.00 0.00 C ATOM 1774 CD PRO A 116 13.704 -5.266 -5.600 1.00 0.00 C ATOM 0 HA PRO A 116 10.714 -4.478 -6.651 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.486 -4.781 -8.655 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.584 -3.394 -7.589 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.288 -5.890 -7.603 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.755 -4.246 -7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.145 -6.218 -5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.159 -4.496 -4.977 1.00 0.00 H new ATOM 1782 N VAL A 117 9.806 -6.707 -7.119 1.00 0.00 N ATOM 1783 CA VAL A 117 9.234 -8.042 -7.211 1.00 0.00 C ATOM 1784 C VAL A 117 9.538 -8.655 -8.597 1.00 0.00 C ATOM 1785 O VAL A 117 9.357 -7.989 -9.618 1.00 0.00 O ATOM 1786 CB VAL A 117 7.725 -7.993 -6.874 1.00 0.00 C ATOM 1787 CG1 VAL A 117 7.038 -9.361 -7.087 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.499 -7.489 -5.434 1.00 0.00 C ATOM 0 H VAL A 117 9.113 -5.968 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 117 9.695 -8.702 -6.476 1.00 0.00 H new ATOM 0 HB VAL A 117 7.265 -7.287 -7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.980 -9.279 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.144 -9.663 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 117 7.505 -10.107 -6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.430 -7.463 -5.221 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.993 -8.160 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.914 -6.486 -5.330 1.00 0.00 H new ATOM 1798 N PRO A 118 9.955 -9.935 -8.651 1.00 0.00 N ATOM 1799 CA PRO A 118 10.129 -10.688 -9.887 1.00 0.00 C ATOM 1800 C PRO A 118 8.760 -10.989 -10.512 1.00 0.00 C ATOM 1801 O PRO A 118 8.098 -11.968 -10.151 1.00 0.00 O ATOM 1802 CB PRO A 118 10.883 -11.957 -9.470 1.00 0.00 C ATOM 1803 CG PRO A 118 10.383 -12.205 -8.049 1.00 0.00 C ATOM 1804 CD PRO A 118 10.249 -10.786 -7.504 1.00 0.00 C ATOM 0 HA PRO A 118 10.686 -10.145 -10.650 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.657 -12.795 -10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.963 -11.812 -9.498 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.432 -12.737 -8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 118 11.087 -12.800 -7.467 1.00 0.00 H new ATOM 0 HD2 PRO A 118 9.453 -10.728 -6.762 1.00 0.00 H new ATOM 0 HD3 PRO A 118 11.168 -10.470 -7.011 1.00 0.00 H new ATOM 1812 N SER A 119 8.277 -10.122 -11.396 1.00 0.00 N ATOM 1813 CA SER A 119 6.997 -10.260 -12.085 1.00 0.00 C ATOM 1814 C SER A 119 7.084 -9.586 -13.466 1.00 0.00 C ATOM 1815 O SER A 119 8.175 -9.212 -13.909 1.00 0.00 O ATOM 1816 CB SER A 119 5.895 -9.671 -11.185 1.00 0.00 C ATOM 1817 OG SER A 119 5.808 -10.399 -9.971 1.00 0.00 O ATOM 0 H SER A 119 8.781 -9.276 -11.662 1.00 0.00 H new ATOM 0 HA SER A 119 6.748 -11.306 -12.267 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.110 -8.623 -10.974 1.00 0.00 H new ATOM 0 HB3 SER A 119 4.937 -9.701 -11.704 1.00 0.00 H new ATOM 0 HG SER A 119 6.486 -11.107 -9.965 1.00 0.00 H new ATOM 1823 N GLY A 120 5.959 -9.451 -14.165 1.00 0.00 N ATOM 1824 CA GLY A 120 5.811 -8.673 -15.390 1.00 0.00 C ATOM 1825 C GLY A 120 4.546 -7.815 -15.325 1.00 0.00 C ATOM 1826 O GLY A 120 3.886 -7.791 -14.280 1.00 0.00 O ATOM 0 H GLY A 120 5.089 -9.901 -13.880 1.00 0.00 H new ATOM 0 HA2 GLY A 120 6.684 -8.036 -15.532 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.761 -9.341 -16.250 1.00 0.00 H new ATOM 1830 N PRO A 121 4.225 -7.060 -16.386 1.00 0.00 N ATOM 1831 CA PRO A 121 3.051 -6.196 -16.416 1.00 0.00 C ATOM 1832 C PRO A 121 1.758 -7.015 -16.529 1.00 0.00 C ATOM 1833 O PRO A 121 1.772 -8.170 -16.964 1.00 0.00 O ATOM 1834 CB PRO A 121 3.259 -5.300 -17.643 1.00 0.00 C ATOM 1835 CG PRO A 121 4.076 -6.179 -18.589 1.00 0.00 C ATOM 1836 CD PRO A 121 4.962 -6.984 -17.639 1.00 0.00 C ATOM 0 HA PRO A 121 2.945 -5.614 -15.500 1.00 0.00 H new ATOM 0 HB2 PRO A 121 2.310 -5.003 -18.089 1.00 0.00 H new ATOM 0 HB3 PRO A 121 3.791 -4.384 -17.386 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.437 -6.826 -19.190 1.00 0.00 H new ATOM 0 HG3 PRO A 121 4.668 -5.582 -19.283 1.00 0.00 H new ATOM 0 HD2 PRO A 121 5.161 -7.979 -18.037 1.00 0.00 H new ATOM 0 HD3 PRO A 121 5.927 -6.498 -17.497 1.00 0.00 H new ATOM 1844 N SER A 122 0.620 -6.387 -16.223 1.00 0.00 N ATOM 1845 CA SER A 122 -0.699 -6.880 -16.603 1.00 0.00 C ATOM 1846 C SER A 122 -1.545 -5.723 -17.137 1.00 0.00 C ATOM 1847 O SER A 122 -1.908 -5.728 -18.313 1.00 0.00 O ATOM 1848 CB SER A 122 -1.358 -7.639 -15.443 1.00 0.00 C ATOM 1849 OG SER A 122 -1.545 -6.832 -14.291 1.00 0.00 O ATOM 0 H SER A 122 0.592 -5.513 -15.699 1.00 0.00 H new ATOM 0 HA SER A 122 -0.604 -7.606 -17.410 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.323 -8.026 -15.770 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.742 -8.499 -15.182 1.00 0.00 H new ATOM 0 HG SER A 122 -1.501 -7.393 -13.488 1.00 0.00 H new ATOM 1855 N SER A 123 -1.831 -4.723 -16.298 1.00 0.00 N ATOM 1856 CA SER A 123 -2.578 -3.518 -16.653 1.00 0.00 C ATOM 1857 C SER A 123 -1.787 -2.655 -17.654 1.00 0.00 C ATOM 1858 O SER A 123 -0.621 -2.945 -17.949 1.00 0.00 O ATOM 1859 CB SER A 123 -2.852 -2.722 -15.365 1.00 0.00 C ATOM 1860 OG SER A 123 -3.328 -3.542 -14.307 1.00 0.00 O ATOM 0 H SER A 123 -1.538 -4.733 -15.321 1.00 0.00 H new ATOM 0 HA SER A 123 -3.517 -3.799 -17.130 1.00 0.00 H new ATOM 0 HB2 SER A 123 -1.936 -2.223 -15.049 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.585 -1.942 -15.573 1.00 0.00 H new ATOM 0 HG SER A 123 -4.214 -3.232 -14.026 1.00 0.00 H new ATOM 1866 N GLY A 124 -2.383 -1.562 -18.136 1.00 0.00 N ATOM 1867 CA GLY A 124 -1.693 -0.498 -18.852 1.00 0.00 C ATOM 1868 C GLY A 124 -1.927 -0.617 -20.330 1.00 0.00 C ATOM 1869 O GLY A 124 -1.036 -1.163 -21.019 1.00 0.00 O ATOM 0 H GLY A 124 -3.384 -1.393 -18.034 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -2.044 0.472 -18.500 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -0.624 -0.545 -18.643 1.00 0.00 H new TER 1873 GLY A 124