USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 36 GLN : amide:sc= -0.959 K(o=-2.4,f=-6.3!) USER MOD Set 1.2: A 48 ASN : amide:sc= -1.43 K(o=-2.4,f=-7.2!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.951 USER MOD Set 2.2: A 113 ASN : amide:sc= 1.43 K(o=2.4,f=1.4) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0986 USER MOD Single : A 11 SER OG : rot 180:sc= -0.368 USER MOD Single : A 17 THR OG1 : rot 117:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.89) USER MOD Single : A 30 THR OG1 : rot 86:sc= 1.11 USER MOD Single : A 32 TYR OH : rot 180:sc= 0.828 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00333 USER MOD Single : A 53 SER OG : rot 180:sc= -0.149 USER MOD Single : A 54 SER OG : rot -78:sc= 1.32 USER MOD Single : A 56 THR OG1 : rot 11:sc= 0.0825 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 62 SER OG : rot 46:sc= 0.501 USER MOD Single : A 64 SER OG : rot 3:sc= 0.493 USER MOD Single : A 65 THR OG1 : rot 171:sc= 0.581 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 103:sc= 1.33 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 85 THR OG1 : rot 81:sc= 0.105 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 90 THR OG1 : rot -24:sc= 1.13 USER MOD Single : A 94 GLN : amide:sc= -0.192 K(o=-0.19,f=-2.3) USER MOD Single : A 98 SER OG : rot 10:sc= 0.632 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.925 5.009 16.279 1.00 0.00 N ATOM 2 CA ALA A 1 -16.299 4.060 15.208 1.00 0.00 C ATOM 3 C ALA A 1 -15.134 3.136 14.879 1.00 0.00 C ATOM 4 O ALA A 1 -14.064 3.592 14.476 1.00 0.00 O ATOM 5 CB ALA A 1 -16.743 4.811 13.962 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.732 5.631 16.489 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.663 4.480 17.135 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.117 5.584 15.966 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.132 3.454 15.565 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.014 4.097 13.184 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.606 5.433 14.200 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.928 5.441 13.607 1.00 0.00 H new ATOM 11 N ALA A 2 -15.347 1.839 15.061 1.00 0.00 N ATOM 12 CA ALA A 2 -14.318 0.847 14.781 1.00 0.00 C ATOM 13 C ALA A 2 -14.426 0.359 13.338 1.00 0.00 C ATOM 14 O ALA A 2 -15.383 -0.332 12.983 1.00 0.00 O ATOM 15 CB ALA A 2 -14.435 -0.320 15.751 1.00 0.00 C ATOM 0 H ALA A 2 -16.226 1.449 15.402 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.340 1.311 14.913 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.660 -1.055 15.531 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.313 0.042 16.772 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.416 -0.784 15.645 1.00 0.00 H new ATOM 21 N PRO A 3 -13.459 0.722 12.483 1.00 0.00 N ATOM 22 CA PRO A 3 -13.457 0.318 11.074 1.00 0.00 C ATOM 23 C PRO A 3 -13.244 -1.184 10.903 1.00 0.00 C ATOM 24 O PRO A 3 -12.772 -1.868 11.813 1.00 0.00 O ATOM 25 CB PRO A 3 -12.280 1.092 10.464 1.00 0.00 C ATOM 26 CG PRO A 3 -11.912 2.126 11.477 1.00 0.00 C ATOM 27 CD PRO A 3 -12.293 1.554 12.810 1.00 0.00 C ATOM 0 HA PRO A 3 -14.413 0.534 10.597 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.440 0.429 10.257 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.562 1.553 9.518 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.846 2.348 11.438 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.439 3.061 11.289 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.485 0.966 13.244 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.541 2.334 13.529 1.00 0.00 H new ATOM 35 N THR A 4 -13.597 -1.690 9.733 1.00 0.00 N ATOM 36 CA THR A 4 -13.445 -3.100 9.426 1.00 0.00 C ATOM 37 C THR A 4 -12.468 -3.278 8.263 1.00 0.00 C ATOM 38 O THR A 4 -12.869 -3.419 7.107 1.00 0.00 O ATOM 39 CB THR A 4 -14.805 -3.741 9.080 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.771 -3.412 10.092 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.691 -5.255 8.962 1.00 0.00 C ATOM 0 H THR A 4 -13.995 -1.137 8.974 1.00 0.00 H new ATOM 0 HA THR A 4 -13.048 -3.602 10.308 1.00 0.00 H new ATOM 0 HB THR A 4 -15.127 -3.345 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.633 -3.820 9.866 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.667 -5.675 8.718 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.980 -5.506 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.345 -5.669 9.909 1.00 0.00 H new ATOM 49 N ALA A 5 -11.182 -3.235 8.575 1.00 0.00 N ATOM 50 CA ALA A 5 -10.148 -3.380 7.563 1.00 0.00 C ATOM 51 C ALA A 5 -9.808 -4.846 7.337 1.00 0.00 C ATOM 52 O ALA A 5 -9.168 -5.484 8.173 1.00 0.00 O ATOM 53 CB ALA A 5 -8.905 -2.600 7.960 1.00 0.00 C ATOM 0 H ALA A 5 -10.829 -3.101 9.523 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.530 -2.974 6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.140 -2.719 7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.155 -1.544 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.527 -2.977 8.910 1.00 0.00 H new ATOM 59 N THR A 6 -10.255 -5.382 6.213 1.00 0.00 N ATOM 60 CA THR A 6 -9.992 -6.766 5.872 1.00 0.00 C ATOM 61 C THR A 6 -8.909 -6.847 4.798 1.00 0.00 C ATOM 62 O THR A 6 -9.169 -6.605 3.621 1.00 0.00 O ATOM 63 CB THR A 6 -11.274 -7.456 5.373 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.426 -6.814 5.936 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.279 -8.925 5.756 1.00 0.00 C ATOM 0 H THR A 6 -10.804 -4.874 5.519 1.00 0.00 H new ATOM 0 HA THR A 6 -9.646 -7.280 6.769 1.00 0.00 H new ATOM 0 HB THR A 6 -11.304 -7.376 4.286 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.238 -7.257 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.194 -9.392 5.393 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.417 -9.420 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.229 -9.018 6.841 1.00 0.00 H new ATOM 73 N VAL A 7 -7.689 -7.161 5.211 1.00 0.00 N ATOM 74 CA VAL A 7 -6.571 -7.255 4.281 1.00 0.00 C ATOM 75 C VAL A 7 -5.993 -8.666 4.250 1.00 0.00 C ATOM 76 O VAL A 7 -5.929 -9.344 5.277 1.00 0.00 O ATOM 77 CB VAL A 7 -5.451 -6.259 4.650 1.00 0.00 C ATOM 78 CG1 VAL A 7 -5.875 -4.829 4.336 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.066 -6.386 6.122 1.00 0.00 C ATOM 0 H VAL A 7 -7.448 -7.355 6.183 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.960 -7.007 3.293 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.577 -6.503 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.071 -4.144 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.089 -4.739 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.769 -4.581 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.275 -5.673 6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.936 -6.178 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.712 -7.398 6.319 1.00 0.00 H new ATOM 89 N THR A 8 -5.577 -9.103 3.069 1.00 0.00 N ATOM 90 CA THR A 8 -5.000 -10.426 2.901 1.00 0.00 C ATOM 91 C THR A 8 -3.483 -10.342 2.720 1.00 0.00 C ATOM 92 O THR A 8 -3.000 -9.909 1.672 1.00 0.00 O ATOM 93 CB THR A 8 -5.609 -11.153 1.683 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.040 -11.131 1.759 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.120 -12.595 1.606 1.00 0.00 C ATOM 0 H THR A 8 -5.630 -8.556 2.210 1.00 0.00 H new ATOM 0 HA THR A 8 -5.228 -10.991 3.805 1.00 0.00 H new ATOM 0 HB THR A 8 -5.287 -10.630 0.782 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.416 -11.593 0.981 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.564 -13.084 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.034 -12.606 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.412 -13.127 2.512 1.00 0.00 H new ATOM 103 N PRO A 9 -2.712 -10.737 3.742 1.00 0.00 N ATOM 104 CA PRO A 9 -1.254 -10.716 3.677 1.00 0.00 C ATOM 105 C PRO A 9 -0.709 -11.899 2.879 1.00 0.00 C ATOM 106 O PRO A 9 -1.137 -13.040 3.069 1.00 0.00 O ATOM 107 CB PRO A 9 -0.831 -10.805 5.144 1.00 0.00 C ATOM 108 CG PRO A 9 -1.946 -11.529 5.824 1.00 0.00 C ATOM 109 CD PRO A 9 -3.201 -11.224 5.043 1.00 0.00 C ATOM 0 HA PRO A 9 -0.871 -9.829 3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.112 -11.342 5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.684 -9.814 5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.755 -12.602 5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.045 -11.202 6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.823 -12.112 4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.809 -10.472 5.546 1.00 0.00 H new ATOM 117 N SER A 10 0.228 -11.622 1.985 1.00 0.00 N ATOM 118 CA SER A 10 0.832 -12.653 1.152 1.00 0.00 C ATOM 119 C SER A 10 2.023 -13.308 1.855 1.00 0.00 C ATOM 120 O SER A 10 3.035 -13.615 1.226 1.00 0.00 O ATOM 121 CB SER A 10 1.281 -12.034 -0.172 1.00 0.00 C ATOM 122 OG SER A 10 1.673 -10.681 0.010 1.00 0.00 O ATOM 0 H SER A 10 0.590 -10.683 1.816 1.00 0.00 H new ATOM 0 HA SER A 10 0.088 -13.428 0.965 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.113 -12.606 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.469 -12.088 -0.897 1.00 0.00 H new ATOM 0 HG SER A 10 1.958 -10.305 -0.849 1.00 0.00 H new ATOM 128 N SER A 11 1.886 -13.527 3.156 1.00 0.00 N ATOM 129 CA SER A 11 2.941 -14.131 3.955 1.00 0.00 C ATOM 130 C SER A 11 3.226 -15.562 3.501 1.00 0.00 C ATOM 131 O SER A 11 2.383 -16.451 3.640 1.00 0.00 O ATOM 132 CB SER A 11 2.534 -14.117 5.428 1.00 0.00 C ATOM 133 OG SER A 11 1.758 -12.967 5.725 1.00 0.00 O ATOM 0 H SER A 11 1.045 -13.292 3.684 1.00 0.00 H new ATOM 0 HA SER A 11 3.854 -13.550 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.964 -15.016 5.661 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.425 -14.133 6.056 1.00 0.00 H new ATOM 0 HG SER A 11 1.506 -12.978 6.672 1.00 0.00 H new ATOM 139 N GLY A 12 4.405 -15.770 2.937 1.00 0.00 N ATOM 140 CA GLY A 12 4.789 -17.087 2.475 1.00 0.00 C ATOM 141 C GLY A 12 4.673 -17.233 0.971 1.00 0.00 C ATOM 142 O GLY A 12 5.004 -18.279 0.417 1.00 0.00 O ATOM 0 H GLY A 12 5.107 -15.045 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.816 -17.289 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.161 -17.835 2.959 1.00 0.00 H new ATOM 146 N LEU A 13 4.211 -16.190 0.302 1.00 0.00 N ATOM 147 CA LEU A 13 4.059 -16.228 -1.144 1.00 0.00 C ATOM 148 C LEU A 13 5.169 -15.426 -1.806 1.00 0.00 C ATOM 149 O LEU A 13 5.681 -14.474 -1.222 1.00 0.00 O ATOM 150 CB LEU A 13 2.680 -15.697 -1.544 1.00 0.00 C ATOM 151 CG LEU A 13 1.499 -16.410 -0.874 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.191 -15.710 -1.209 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.440 -17.872 -1.302 1.00 0.00 C ATOM 0 H LEU A 13 3.935 -15.309 0.735 1.00 0.00 H new ATOM 0 HA LEU A 13 4.135 -17.260 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.630 -14.635 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.572 -15.783 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 13 1.647 -16.371 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.635 -16.231 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.228 -14.680 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.041 -15.717 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.595 -18.360 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.319 -17.930 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.364 -18.373 -1.013 1.00 0.00 H new ATOM 165 N SER A 14 5.550 -15.832 -3.010 1.00 0.00 N ATOM 166 CA SER A 14 6.618 -15.172 -3.751 1.00 0.00 C ATOM 167 C SER A 14 6.142 -13.869 -4.395 1.00 0.00 C ATOM 168 O SER A 14 4.990 -13.460 -4.224 1.00 0.00 O ATOM 169 CB SER A 14 7.156 -16.122 -4.818 1.00 0.00 C ATOM 170 OG SER A 14 7.188 -17.461 -4.341 1.00 0.00 O ATOM 0 H SER A 14 5.131 -16.623 -3.499 1.00 0.00 H new ATOM 0 HA SER A 14 7.411 -14.916 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.531 -16.065 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.159 -15.813 -5.112 1.00 0.00 H new ATOM 0 HG SER A 14 7.535 -18.050 -5.043 1.00 0.00 H new ATOM 176 N ASP A 15 7.038 -13.220 -5.138 1.00 0.00 N ATOM 177 CA ASP A 15 6.716 -11.961 -5.809 1.00 0.00 C ATOM 178 C ASP A 15 5.768 -12.200 -6.982 1.00 0.00 C ATOM 179 O ASP A 15 5.747 -13.284 -7.567 1.00 0.00 O ATOM 180 CB ASP A 15 7.989 -11.252 -6.296 1.00 0.00 C ATOM 181 CG ASP A 15 8.630 -11.929 -7.491 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.464 -12.832 -7.288 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.315 -11.548 -8.641 1.00 0.00 O ATOM 0 H ASP A 15 7.993 -13.545 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 15 6.220 -11.317 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.746 -10.222 -6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.710 -11.212 -5.479 1.00 0.00 H new ATOM 188 N GLY A 16 4.982 -11.186 -7.312 1.00 0.00 N ATOM 189 CA GLY A 16 4.030 -11.298 -8.399 1.00 0.00 C ATOM 190 C GLY A 16 2.655 -11.672 -7.891 1.00 0.00 C ATOM 191 O GLY A 16 1.676 -11.688 -8.644 1.00 0.00 O ATOM 0 H GLY A 16 4.987 -10.281 -6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.976 -10.351 -8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.374 -12.049 -9.110 1.00 0.00 H new ATOM 195 N THR A 17 2.593 -11.971 -6.602 1.00 0.00 N ATOM 196 CA THR A 17 1.356 -12.348 -5.950 1.00 0.00 C ATOM 197 C THR A 17 0.454 -11.128 -5.754 1.00 0.00 C ATOM 198 O THR A 17 0.929 -10.026 -5.459 1.00 0.00 O ATOM 199 CB THR A 17 1.647 -13.016 -4.593 1.00 0.00 C ATOM 200 OG1 THR A 17 2.526 -14.133 -4.786 1.00 0.00 O ATOM 201 CG2 THR A 17 0.369 -13.486 -3.926 1.00 0.00 C ATOM 0 H THR A 17 3.402 -11.958 -5.981 1.00 0.00 H new ATOM 0 HA THR A 17 0.837 -13.062 -6.590 1.00 0.00 H new ATOM 0 HB THR A 17 2.119 -12.278 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.370 -13.970 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.608 -13.953 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.289 -12.633 -3.759 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.132 -14.210 -4.569 1.00 0.00 H new ATOM 209 N VAL A 18 -0.841 -11.328 -5.934 1.00 0.00 N ATOM 210 CA VAL A 18 -1.803 -10.253 -5.789 1.00 0.00 C ATOM 211 C VAL A 18 -2.292 -10.133 -4.348 1.00 0.00 C ATOM 212 O VAL A 18 -2.862 -11.076 -3.789 1.00 0.00 O ATOM 213 CB VAL A 18 -3.018 -10.460 -6.715 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.943 -9.254 -6.671 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.567 -10.736 -8.141 1.00 0.00 C ATOM 0 H VAL A 18 -1.250 -12.229 -6.182 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.290 -9.333 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.572 -11.328 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.793 -9.423 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.300 -9.106 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.400 -8.367 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.440 -10.879 -8.778 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.985 -9.891 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.952 -11.636 -8.160 1.00 0.00 H new ATOM 225 N VAL A 19 -2.046 -8.978 -3.751 1.00 0.00 N ATOM 226 CA VAL A 19 -2.479 -8.697 -2.392 1.00 0.00 C ATOM 227 C VAL A 19 -3.884 -8.110 -2.435 1.00 0.00 C ATOM 228 O VAL A 19 -4.155 -7.198 -3.223 1.00 0.00 O ATOM 229 CB VAL A 19 -1.524 -7.706 -1.688 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.971 -7.444 -0.258 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.095 -8.230 -1.712 1.00 0.00 C ATOM 0 H VAL A 19 -1.541 -8.210 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.472 -9.628 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.555 -6.762 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.283 -6.744 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.975 -7.019 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.976 -8.381 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.562 -7.518 -1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.051 -9.189 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.228 -8.358 -2.745 1.00 0.00 H new ATOM 241 N LYS A 20 -4.776 -8.634 -1.610 1.00 0.00 N ATOM 242 CA LYS A 20 -6.151 -8.158 -1.589 1.00 0.00 C ATOM 243 C LYS A 20 -6.389 -7.229 -0.409 1.00 0.00 C ATOM 244 O LYS A 20 -6.020 -7.536 0.726 1.00 0.00 O ATOM 245 CB LYS A 20 -7.125 -9.335 -1.536 1.00 0.00 C ATOM 246 CG LYS A 20 -8.582 -8.931 -1.727 1.00 0.00 C ATOM 247 CD LYS A 20 -9.515 -10.121 -1.584 1.00 0.00 C ATOM 248 CE LYS A 20 -9.361 -11.095 -2.741 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.002 -12.403 -2.455 1.00 0.00 N ATOM 0 H LYS A 20 -4.575 -9.385 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.325 -7.597 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.853 -10.056 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.020 -9.840 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.848 -8.169 -0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.710 -8.484 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.309 -10.635 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.546 -9.772 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.802 -10.664 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.302 -11.248 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.874 -13.038 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.564 -12.827 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.018 -12.262 -2.283 1.00 0.00 H new ATOM 263 N VAL A 21 -6.994 -6.088 -0.690 1.00 0.00 N ATOM 264 CA VAL A 21 -7.297 -5.111 0.340 1.00 0.00 C ATOM 265 C VAL A 21 -8.770 -4.723 0.288 1.00 0.00 C ATOM 266 O VAL A 21 -9.263 -4.276 -0.746 1.00 0.00 O ATOM 267 CB VAL A 21 -6.426 -3.844 0.186 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.855 -2.765 1.170 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.954 -4.179 0.374 1.00 0.00 C ATOM 0 H VAL A 21 -7.286 -5.815 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.075 -5.570 1.304 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.568 -3.459 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.226 -1.884 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.896 -2.498 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.751 -3.139 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.358 -3.274 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.800 -4.594 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.649 -4.910 -0.375 1.00 0.00 H new ATOM 279 N ALA A 22 -9.473 -4.916 1.396 1.00 0.00 N ATOM 280 CA ALA A 22 -10.886 -4.575 1.481 1.00 0.00 C ATOM 281 C ALA A 22 -11.163 -3.803 2.765 1.00 0.00 C ATOM 282 O ALA A 22 -11.420 -4.392 3.816 1.00 0.00 O ATOM 283 CB ALA A 22 -11.744 -5.830 1.410 1.00 0.00 C ATOM 0 H ALA A 22 -9.084 -5.309 2.253 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.144 -3.941 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.797 -5.555 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.561 -6.343 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.490 -6.492 2.238 1.00 0.00 H new ATOM 289 N GLY A 23 -11.092 -2.484 2.681 1.00 0.00 N ATOM 290 CA GLY A 23 -11.328 -1.656 3.845 1.00 0.00 C ATOM 291 C GLY A 23 -12.765 -1.192 3.933 1.00 0.00 C ATOM 292 O GLY A 23 -13.229 -0.437 3.084 1.00 0.00 O ATOM 0 H GLY A 23 -10.875 -1.971 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.073 -2.216 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.669 -0.788 3.812 1.00 0.00 H new ATOM 296 N ALA A 24 -13.477 -1.658 4.947 1.00 0.00 N ATOM 297 CA ALA A 24 -14.863 -1.272 5.146 1.00 0.00 C ATOM 298 C ALA A 24 -14.968 -0.379 6.374 1.00 0.00 C ATOM 299 O ALA A 24 -14.228 -0.558 7.341 1.00 0.00 O ATOM 300 CB ALA A 24 -15.744 -2.504 5.291 1.00 0.00 C ATOM 0 H ALA A 24 -13.115 -2.306 5.647 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.211 -0.716 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.779 -2.196 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.672 -3.111 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.413 -3.089 6.149 1.00 0.00 H new ATOM 306 N GLY A 25 -15.867 0.586 6.331 1.00 0.00 N ATOM 307 CA GLY A 25 -16.025 1.488 7.453 1.00 0.00 C ATOM 308 C GLY A 25 -15.186 2.733 7.278 1.00 0.00 C ATOM 309 O GLY A 25 -14.898 3.448 8.238 1.00 0.00 O ATOM 0 H GLY A 25 -16.490 0.763 5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.074 1.765 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.739 0.980 8.374 1.00 0.00 H new ATOM 313 N LEU A 26 -14.800 2.993 6.038 1.00 0.00 N ATOM 314 CA LEU A 26 -13.984 4.148 5.711 1.00 0.00 C ATOM 315 C LEU A 26 -14.868 5.349 5.391 1.00 0.00 C ATOM 316 O LEU A 26 -16.097 5.259 5.449 1.00 0.00 O ATOM 317 CB LEU A 26 -13.078 3.824 4.520 1.00 0.00 C ATOM 318 CG LEU A 26 -12.165 2.606 4.702 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.345 2.363 3.444 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.250 2.792 5.906 1.00 0.00 C ATOM 0 H LEU A 26 -15.043 2.412 5.236 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.363 4.396 6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.704 3.660 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.457 4.695 4.310 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.793 1.733 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.702 1.495 3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.014 2.181 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.730 3.239 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.611 1.916 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.631 3.677 5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.853 2.917 6.805 1.00 0.00 H new ATOM 332 N GLN A 27 -14.246 6.463 5.044 1.00 0.00 N ATOM 333 CA GLN A 27 -14.980 7.676 4.720 1.00 0.00 C ATOM 334 C GLN A 27 -15.395 7.667 3.252 1.00 0.00 C ATOM 335 O GLN A 27 -14.560 7.849 2.364 1.00 0.00 O ATOM 336 CB GLN A 27 -14.128 8.909 5.026 1.00 0.00 C ATOM 337 CG GLN A 27 -14.930 10.197 5.133 1.00 0.00 C ATOM 338 CD GLN A 27 -15.982 10.140 6.223 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.828 9.435 7.219 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.057 10.888 6.046 1.00 0.00 N ATOM 0 H GLN A 27 -13.232 6.553 4.979 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.879 7.715 5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.593 8.746 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.377 9.023 4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.252 11.027 5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.413 10.400 4.177 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.148 11.459 5.206 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.796 10.894 6.749 1.00 0.00 H new ATOM 349 N ALA A 28 -16.682 7.451 3.005 1.00 0.00 N ATOM 350 CA ALA A 28 -17.221 7.405 1.650 1.00 0.00 C ATOM 351 C ALA A 28 -16.944 8.695 0.886 1.00 0.00 C ATOM 352 O ALA A 28 -16.989 9.790 1.453 1.00 0.00 O ATOM 353 CB ALA A 28 -18.714 7.136 1.697 1.00 0.00 C ATOM 0 H ALA A 28 -17.379 7.303 3.735 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.721 6.595 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.110 7.103 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.896 6.181 2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.210 7.931 2.254 1.00 0.00 H new ATOM 359 N GLY A 29 -16.643 8.558 -0.402 1.00 0.00 N ATOM 360 CA GLY A 29 -16.366 9.718 -1.227 1.00 0.00 C ATOM 361 C GLY A 29 -14.927 10.182 -1.131 1.00 0.00 C ATOM 362 O GLY A 29 -14.578 11.242 -1.647 1.00 0.00 O ATOM 0 H GLY A 29 -16.586 7.663 -0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.597 9.482 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.026 10.534 -0.931 1.00 0.00 H new ATOM 366 N THR A 30 -14.090 9.397 -0.473 1.00 0.00 N ATOM 367 CA THR A 30 -12.686 9.748 -0.321 1.00 0.00 C ATOM 368 C THR A 30 -11.794 8.696 -0.967 1.00 0.00 C ATOM 369 O THR A 30 -12.101 7.503 -0.916 1.00 0.00 O ATOM 370 CB THR A 30 -12.302 9.890 1.163 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.433 10.336 1.924 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.157 10.877 1.330 1.00 0.00 C ATOM 0 H THR A 30 -14.356 8.515 -0.036 1.00 0.00 H new ATOM 0 HA THR A 30 -12.538 10.707 -0.818 1.00 0.00 H new ATOM 0 HB THR A 30 -11.981 8.914 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.970 9.563 2.195 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.901 10.962 2.386 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.288 10.524 0.774 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.459 11.853 0.950 1.00 0.00 H new ATOM 380 N ALA A 31 -10.695 9.140 -1.565 1.00 0.00 N ATOM 381 CA ALA A 31 -9.764 8.238 -2.226 1.00 0.00 C ATOM 382 C ALA A 31 -8.754 7.658 -1.245 1.00 0.00 C ATOM 383 O ALA A 31 -8.119 8.387 -0.481 1.00 0.00 O ATOM 384 CB ALA A 31 -9.040 8.959 -3.356 1.00 0.00 C ATOM 0 H ALA A 31 -10.427 10.123 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.342 7.412 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.347 8.272 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.768 9.316 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.487 9.806 -2.951 1.00 0.00 H new ATOM 390 N TYR A 32 -8.622 6.342 -1.264 1.00 0.00 N ATOM 391 CA TYR A 32 -7.678 5.653 -0.406 1.00 0.00 C ATOM 392 C TYR A 32 -6.608 4.998 -1.270 1.00 0.00 C ATOM 393 O TYR A 32 -6.857 3.989 -1.936 1.00 0.00 O ATOM 394 CB TYR A 32 -8.390 4.613 0.465 1.00 0.00 C ATOM 395 CG TYR A 32 -9.210 5.224 1.584 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.511 5.661 1.361 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.679 5.373 2.863 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.259 6.227 2.375 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.421 5.939 3.882 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.709 6.365 3.632 1.00 0.00 C ATOM 401 OH TYR A 32 -11.448 6.932 4.642 1.00 0.00 O ATOM 0 H TYR A 32 -9.163 5.726 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.208 6.373 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.042 4.008 -0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.648 3.940 0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.944 5.556 0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.671 5.041 3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.269 6.560 2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.995 6.047 4.869 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.915 6.954 5.464 1.00 0.00 H new ATOM 411 N ASP A 33 -5.423 5.586 -1.272 1.00 0.00 N ATOM 412 CA ASP A 33 -4.318 5.079 -2.074 1.00 0.00 C ATOM 413 C ASP A 33 -3.665 3.893 -1.384 1.00 0.00 C ATOM 414 O ASP A 33 -3.217 3.993 -0.237 1.00 0.00 O ATOM 415 CB ASP A 33 -3.288 6.183 -2.317 1.00 0.00 C ATOM 416 CG ASP A 33 -2.327 5.856 -3.443 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.357 5.108 -3.212 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.534 6.364 -4.569 1.00 0.00 O ATOM 0 H ASP A 33 -5.200 6.418 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.710 4.750 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.807 7.113 -2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.722 6.353 -1.401 1.00 0.00 H new ATOM 423 N VAL A 34 -3.633 2.765 -2.076 1.00 0.00 N ATOM 424 CA VAL A 34 -3.045 1.555 -1.529 1.00 0.00 C ATOM 425 C VAL A 34 -2.052 0.946 -2.511 1.00 0.00 C ATOM 426 O VAL A 34 -2.347 0.800 -3.701 1.00 0.00 O ATOM 427 CB VAL A 34 -4.122 0.498 -1.179 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.516 -0.647 -0.383 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.286 1.124 -0.419 1.00 0.00 C ATOM 0 H VAL A 34 -4.008 2.663 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.529 1.842 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.511 0.098 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.291 -1.377 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.733 -1.125 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.089 -0.261 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.025 0.356 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.920 1.566 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.747 1.898 -1.033 1.00 0.00 H new ATOM 439 N GLY A 35 -0.874 0.610 -2.006 1.00 0.00 N ATOM 440 CA GLY A 35 0.156 0.002 -2.820 1.00 0.00 C ATOM 441 C GLY A 35 1.005 -0.940 -1.994 1.00 0.00 C ATOM 442 O GLY A 35 0.735 -1.126 -0.810 1.00 0.00 O ATOM 0 H GLY A 35 -0.612 0.751 -1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.301 -0.542 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.785 0.777 -3.258 1.00 0.00 H new ATOM 446 N GLN A 36 2.026 -1.535 -2.595 1.00 0.00 N ATOM 447 CA GLN A 36 2.908 -2.442 -1.864 1.00 0.00 C ATOM 448 C GLN A 36 4.068 -1.650 -1.270 1.00 0.00 C ATOM 449 O GLN A 36 5.224 -2.078 -1.304 1.00 0.00 O ATOM 450 CB GLN A 36 3.424 -3.567 -2.772 1.00 0.00 C ATOM 451 CG GLN A 36 4.080 -3.083 -4.055 1.00 0.00 C ATOM 452 CD GLN A 36 5.380 -3.808 -4.360 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.683 -4.094 -5.515 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.160 -4.100 -3.331 1.00 0.00 N ATOM 0 H GLN A 36 2.265 -1.409 -3.579 1.00 0.00 H new ATOM 0 HA GLN A 36 2.342 -2.909 -1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.143 -4.168 -2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.591 -4.222 -3.028 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.388 -3.221 -4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.275 -2.013 -3.977 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.874 -3.846 -2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.047 -4.579 -3.484 1.00 0.00 H new ATOM 463 N CYS A 37 3.728 -0.487 -0.731 1.00 0.00 N ATOM 464 CA CYS A 37 4.691 0.422 -0.129 1.00 0.00 C ATOM 465 C CYS A 37 5.449 -0.238 1.010 1.00 0.00 C ATOM 466 O CYS A 37 4.850 -0.710 1.974 1.00 0.00 O ATOM 467 CB CYS A 37 3.959 1.657 0.385 1.00 0.00 C ATOM 468 SG CYS A 37 2.449 2.059 -0.556 1.00 0.00 S ATOM 0 H CYS A 37 2.767 -0.146 -0.700 1.00 0.00 H new ATOM 0 HA CYS A 37 5.418 0.704 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.694 1.502 1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.636 2.510 0.350 1.00 0.00 H new ATOM 473 N ALA A 38 6.769 -0.255 0.900 1.00 0.00 N ATOM 474 CA ALA A 38 7.611 -0.866 1.912 1.00 0.00 C ATOM 475 C ALA A 38 8.555 0.153 2.535 1.00 0.00 C ATOM 476 O ALA A 38 8.546 1.331 2.170 1.00 0.00 O ATOM 477 CB ALA A 38 8.393 -2.023 1.312 1.00 0.00 C ATOM 0 H ALA A 38 7.280 0.150 0.116 1.00 0.00 H new ATOM 0 HA ALA A 38 6.967 -1.248 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.022 -2.474 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.699 -2.770 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.020 -1.656 0.499 1.00 0.00 H new ATOM 483 N TRP A 39 9.358 -0.313 3.484 1.00 0.00 N ATOM 484 CA TRP A 39 10.313 0.531 4.187 1.00 0.00 C ATOM 485 C TRP A 39 11.374 1.070 3.228 1.00 0.00 C ATOM 486 O TRP A 39 12.152 0.304 2.652 1.00 0.00 O ATOM 487 CB TRP A 39 10.982 -0.276 5.301 1.00 0.00 C ATOM 488 CG TRP A 39 11.042 0.437 6.615 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.991 0.948 7.323 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.216 0.709 7.387 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.444 1.522 8.486 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.804 1.387 8.548 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.575 0.446 7.206 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.704 1.806 9.523 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.467 0.861 8.177 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.028 1.532 9.321 1.00 0.00 C ATOM 0 H TRP A 39 9.364 -1.287 3.787 1.00 0.00 H new ATOM 0 HA TRP A 39 9.779 1.379 4.616 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.441 -1.213 5.432 1.00 0.00 H new ATOM 0 HB3 TRP A 39 11.995 -0.533 4.992 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.957 0.907 7.014 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.861 1.975 9.189 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.923 -0.072 6.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.369 2.328 10.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.521 0.663 8.049 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.750 1.841 10.062 1.00 0.00 H new ATOM 507 N VAL A 40 11.412 2.384 3.063 1.00 0.00 N ATOM 508 CA VAL A 40 12.377 3.004 2.167 1.00 0.00 C ATOM 509 C VAL A 40 13.526 3.639 2.954 1.00 0.00 C ATOM 510 O VAL A 40 14.651 3.733 2.464 1.00 0.00 O ATOM 511 CB VAL A 40 11.707 4.055 1.247 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.252 5.277 2.031 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.641 4.457 0.118 1.00 0.00 C ATOM 0 H VAL A 40 10.789 3.039 3.535 1.00 0.00 H new ATOM 0 HA VAL A 40 12.784 2.216 1.534 1.00 0.00 H new ATOM 0 HB VAL A 40 10.820 3.593 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.787 5.992 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.530 4.974 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.112 5.741 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.150 5.196 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.552 4.885 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.892 3.579 -0.477 1.00 0.00 H new ATOM 523 N ASP A 41 13.239 4.058 4.181 1.00 0.00 N ATOM 524 CA ASP A 41 14.244 4.673 5.037 1.00 0.00 C ATOM 525 C ASP A 41 13.828 4.553 6.496 1.00 0.00 C ATOM 526 O ASP A 41 12.756 4.029 6.796 1.00 0.00 O ATOM 527 CB ASP A 41 14.447 6.146 4.672 1.00 0.00 C ATOM 528 CG ASP A 41 15.833 6.645 5.037 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.784 6.359 4.285 1.00 0.00 O ATOM 530 OD2 ASP A 41 15.982 7.320 6.075 1.00 0.00 O ATOM 0 H ASP A 41 12.315 3.982 4.606 1.00 0.00 H new ATOM 0 HA ASP A 41 15.188 4.149 4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.286 6.278 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.699 6.751 5.184 1.00 0.00 H new ATOM 535 N THR A 42 14.664 5.049 7.395 1.00 0.00 N ATOM 536 CA THR A 42 14.385 4.988 8.817 1.00 0.00 C ATOM 537 C THR A 42 13.157 5.819 9.168 1.00 0.00 C ATOM 538 O THR A 42 13.214 7.049 9.196 1.00 0.00 O ATOM 539 CB THR A 42 15.591 5.478 9.629 1.00 0.00 C ATOM 540 OG1 THR A 42 16.803 5.008 9.019 1.00 0.00 O ATOM 541 CG2 THR A 42 15.510 4.981 11.063 1.00 0.00 C ATOM 0 H THR A 42 15.548 5.501 7.160 1.00 0.00 H new ATOM 0 HA THR A 42 14.187 3.947 9.071 1.00 0.00 H new ATOM 0 HB THR A 42 15.586 6.568 9.641 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.573 5.323 9.537 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.375 5.340 11.622 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.597 5.355 11.527 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.500 3.891 11.070 1.00 0.00 H new ATOM 549 N GLY A 43 12.043 5.134 9.396 1.00 0.00 N ATOM 550 CA GLY A 43 10.807 5.808 9.737 1.00 0.00 C ATOM 551 C GLY A 43 10.091 6.354 8.519 1.00 0.00 C ATOM 552 O GLY A 43 9.138 7.127 8.640 1.00 0.00 O ATOM 0 H GLY A 43 11.975 4.117 9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.150 5.113 10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.020 6.625 10.426 1.00 0.00 H new ATOM 556 N VAL A 44 10.552 5.950 7.341 1.00 0.00 N ATOM 557 CA VAL A 44 9.960 6.405 6.091 1.00 0.00 C ATOM 558 C VAL A 44 9.636 5.219 5.192 1.00 0.00 C ATOM 559 O VAL A 44 10.421 4.277 5.079 1.00 0.00 O ATOM 560 CB VAL A 44 10.896 7.367 5.320 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.118 8.155 4.279 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.623 8.312 6.265 1.00 0.00 C ATOM 0 H VAL A 44 11.335 5.307 7.226 1.00 0.00 H new ATOM 0 HA VAL A 44 9.048 6.941 6.353 1.00 0.00 H new ATOM 0 HB VAL A 44 11.645 6.760 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.795 8.825 3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.659 7.466 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.341 8.740 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.272 8.973 5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.895 8.907 6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.224 7.734 6.966 1.00 0.00 H new ATOM 572 N LEU A 45 8.485 5.273 4.547 1.00 0.00 N ATOM 573 CA LEU A 45 8.059 4.213 3.647 1.00 0.00 C ATOM 574 C LEU A 45 7.718 4.820 2.293 1.00 0.00 C ATOM 575 O LEU A 45 7.439 6.015 2.208 1.00 0.00 O ATOM 576 CB LEU A 45 6.859 3.467 4.225 1.00 0.00 C ATOM 577 CG LEU A 45 7.087 2.840 5.603 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.323 3.603 6.671 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.686 1.374 5.595 1.00 0.00 C ATOM 0 H LEU A 45 7.823 6.045 4.630 1.00 0.00 H new ATOM 0 HA LEU A 45 8.868 3.492 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.019 4.158 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.570 2.680 3.528 1.00 0.00 H new ATOM 0 HG LEU A 45 8.150 2.901 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.498 3.142 7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.665 4.638 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.257 3.578 6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.855 0.945 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.630 1.287 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.285 0.837 4.859 1.00 0.00 H new ATOM 591 N ALA A 46 7.751 4.017 1.239 1.00 0.00 N ATOM 592 CA ALA A 46 7.458 4.521 -0.095 1.00 0.00 C ATOM 593 C ALA A 46 6.703 3.498 -0.931 1.00 0.00 C ATOM 594 O ALA A 46 6.909 2.293 -0.785 1.00 0.00 O ATOM 595 CB ALA A 46 8.741 4.928 -0.790 1.00 0.00 C ATOM 0 H ALA A 46 7.976 3.023 1.280 1.00 0.00 H new ATOM 0 HA ALA A 46 6.815 5.395 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.511 5.304 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.235 5.709 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.401 4.064 -0.871 1.00 0.00 H new ATOM 601 N CYS A 47 5.839 3.989 -1.808 1.00 0.00 N ATOM 602 CA CYS A 47 5.030 3.134 -2.668 1.00 0.00 C ATOM 603 C CYS A 47 5.658 2.996 -4.046 1.00 0.00 C ATOM 604 O CYS A 47 6.690 3.599 -4.329 1.00 0.00 O ATOM 605 CB CYS A 47 3.625 3.713 -2.805 1.00 0.00 C ATOM 606 SG CYS A 47 2.762 3.950 -1.221 1.00 0.00 S ATOM 0 H CYS A 47 5.679 4.987 -1.944 1.00 0.00 H new ATOM 0 HA CYS A 47 4.977 2.146 -2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.687 4.672 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.031 3.051 -3.435 1.00 0.00 H new ATOM 611 N ASN A 48 5.026 2.202 -4.903 1.00 0.00 N ATOM 612 CA ASN A 48 5.514 1.993 -6.257 1.00 0.00 C ATOM 613 C ASN A 48 4.470 2.443 -7.279 1.00 0.00 C ATOM 614 O ASN A 48 3.397 1.851 -7.398 1.00 0.00 O ATOM 615 CB ASN A 48 5.897 0.520 -6.490 1.00 0.00 C ATOM 616 CG ASN A 48 4.745 -0.456 -6.303 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.841 -0.239 -5.493 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.776 -1.551 -7.048 1.00 0.00 N ATOM 0 H ASN A 48 4.171 1.692 -4.681 1.00 0.00 H new ATOM 0 HA ASN A 48 6.412 2.598 -6.387 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.290 0.413 -7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.702 0.252 -5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.036 -2.248 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.540 -1.697 -7.708 1.00 0.00 H new ATOM 625 N PRO A 49 4.773 3.498 -8.040 1.00 0.00 N ATOM 626 CA PRO A 49 3.864 4.034 -9.056 1.00 0.00 C ATOM 627 C PRO A 49 3.865 3.202 -10.340 1.00 0.00 C ATOM 628 O PRO A 49 3.643 3.719 -11.434 1.00 0.00 O ATOM 629 CB PRO A 49 4.426 5.431 -9.316 1.00 0.00 C ATOM 630 CG PRO A 49 5.885 5.303 -9.046 1.00 0.00 C ATOM 631 CD PRO A 49 6.031 4.261 -7.966 1.00 0.00 C ATOM 0 HA PRO A 49 2.826 4.029 -8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.239 5.749 -10.341 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.965 6.172 -8.663 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.422 5.006 -9.947 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.305 6.256 -8.725 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.897 3.622 -8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.165 4.718 -6.985 1.00 0.00 H new ATOM 639 N ALA A 50 4.107 1.909 -10.194 1.00 0.00 N ATOM 640 CA ALA A 50 4.141 1.006 -11.334 1.00 0.00 C ATOM 641 C ALA A 50 3.168 -0.154 -11.149 1.00 0.00 C ATOM 642 O ALA A 50 2.850 -0.863 -12.103 1.00 0.00 O ATOM 643 CB ALA A 50 5.553 0.482 -11.544 1.00 0.00 C ATOM 0 H ALA A 50 4.283 1.460 -9.295 1.00 0.00 H new ATOM 0 HA ALA A 50 3.833 1.564 -12.218 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.567 -0.193 -12.400 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.227 1.318 -11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.878 -0.055 -10.653 1.00 0.00 H new ATOM 649 N ASP A 51 2.706 -0.355 -9.919 1.00 0.00 N ATOM 650 CA ASP A 51 1.771 -1.442 -9.626 1.00 0.00 C ATOM 651 C ASP A 51 0.793 -1.039 -8.532 1.00 0.00 C ATOM 652 O ASP A 51 0.172 -1.889 -7.892 1.00 0.00 O ATOM 653 CB ASP A 51 2.520 -2.714 -9.212 1.00 0.00 C ATOM 654 CG ASP A 51 2.581 -3.741 -10.324 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.512 -4.223 -10.763 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.699 -4.082 -10.759 1.00 0.00 O ATOM 0 H ASP A 51 2.960 0.215 -9.112 1.00 0.00 H new ATOM 0 HA ASP A 51 1.210 -1.648 -10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.533 -2.452 -8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.030 -3.153 -8.343 1.00 0.00 H new ATOM 661 N PHE A 52 0.653 0.259 -8.325 1.00 0.00 N ATOM 662 CA PHE A 52 -0.257 0.769 -7.313 1.00 0.00 C ATOM 663 C PHE A 52 -1.652 0.927 -7.904 1.00 0.00 C ATOM 664 O PHE A 52 -1.814 0.986 -9.125 1.00 0.00 O ATOM 665 CB PHE A 52 0.244 2.106 -6.751 1.00 0.00 C ATOM 666 CG PHE A 52 -0.050 3.295 -7.620 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.549 3.437 -8.862 1.00 0.00 C ATOM 668 CD2 PHE A 52 -0.928 4.275 -7.187 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.279 4.532 -9.656 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.201 5.374 -7.977 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.597 5.502 -9.213 1.00 0.00 C ATOM 0 H PHE A 52 1.157 0.979 -8.843 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.299 0.054 -6.491 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.208 2.267 -5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.321 2.041 -6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.236 2.681 -9.212 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.404 4.179 -6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.752 4.630 -10.622 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.886 6.133 -7.629 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.810 6.361 -9.832 1.00 0.00 H new ATOM 681 N SER A 53 -2.660 0.978 -7.050 1.00 0.00 N ATOM 682 CA SER A 53 -4.028 1.127 -7.512 1.00 0.00 C ATOM 683 C SER A 53 -4.875 1.815 -6.452 1.00 0.00 C ATOM 684 O SER A 53 -5.413 1.162 -5.552 1.00 0.00 O ATOM 685 CB SER A 53 -4.628 -0.238 -7.864 1.00 0.00 C ATOM 686 OG SER A 53 -3.787 -0.956 -8.754 1.00 0.00 O ATOM 0 H SER A 53 -2.557 0.919 -6.037 1.00 0.00 H new ATOM 0 HA SER A 53 -4.021 1.746 -8.409 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.777 -0.818 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.609 -0.100 -8.318 1.00 0.00 H new ATOM 0 HG SER A 53 -4.194 -1.823 -8.960 1.00 0.00 H new ATOM 692 N SER A 54 -4.973 3.135 -6.550 1.00 0.00 N ATOM 693 CA SER A 54 -5.754 3.915 -5.607 1.00 0.00 C ATOM 694 C SER A 54 -7.241 3.624 -5.779 1.00 0.00 C ATOM 695 O SER A 54 -7.793 3.779 -6.873 1.00 0.00 O ATOM 696 CB SER A 54 -5.479 5.402 -5.817 1.00 0.00 C ATOM 697 OG SER A 54 -4.211 5.599 -6.420 1.00 0.00 O ATOM 0 H SER A 54 -4.518 3.687 -7.277 1.00 0.00 H new ATOM 0 HA SER A 54 -5.464 3.638 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.257 5.835 -6.446 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.516 5.922 -4.860 1.00 0.00 H new ATOM 0 HG SER A 54 -3.509 5.508 -5.742 1.00 0.00 H new ATOM 703 N VAL A 55 -7.881 3.192 -4.706 1.00 0.00 N ATOM 704 CA VAL A 55 -9.296 2.882 -4.745 1.00 0.00 C ATOM 705 C VAL A 55 -10.074 3.871 -3.882 1.00 0.00 C ATOM 706 O VAL A 55 -9.695 4.155 -2.746 1.00 0.00 O ATOM 707 CB VAL A 55 -9.575 1.431 -4.290 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.970 1.161 -2.924 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.066 1.144 -4.286 1.00 0.00 C ATOM 0 H VAL A 55 -7.441 3.048 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.630 2.971 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.101 0.759 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.182 0.133 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.891 1.311 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.402 1.845 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.238 0.117 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.567 1.829 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.465 1.279 -5.291 1.00 0.00 H new ATOM 719 N THR A 56 -11.142 4.415 -4.431 1.00 0.00 N ATOM 720 CA THR A 56 -11.956 5.368 -3.705 1.00 0.00 C ATOM 721 C THR A 56 -13.034 4.646 -2.904 1.00 0.00 C ATOM 722 O THR A 56 -13.448 3.539 -3.262 1.00 0.00 O ATOM 723 CB THR A 56 -12.599 6.399 -4.660 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.143 7.491 -3.909 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.695 5.765 -5.508 1.00 0.00 C ATOM 0 H THR A 56 -11.466 4.213 -5.377 1.00 0.00 H new ATOM 0 HA THR A 56 -11.305 5.907 -3.016 1.00 0.00 H new ATOM 0 HB THR A 56 -11.820 6.765 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.838 7.433 -2.979 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.126 6.518 -6.168 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.271 4.958 -6.106 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.473 5.365 -4.858 1.00 0.00 H new ATOM 733 N ALA A 57 -13.466 5.253 -1.810 1.00 0.00 N ATOM 734 CA ALA A 57 -14.498 4.668 -0.979 1.00 0.00 C ATOM 735 C ALA A 57 -15.858 4.840 -1.639 1.00 0.00 C ATOM 736 O ALA A 57 -16.252 5.955 -1.991 1.00 0.00 O ATOM 737 CB ALA A 57 -14.479 5.293 0.406 1.00 0.00 C ATOM 0 H ALA A 57 -13.115 6.152 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.304 3.601 -0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.260 4.843 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.508 5.119 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.655 6.366 0.324 1.00 0.00 H new ATOM 743 N ASP A 58 -16.561 3.732 -1.806 1.00 0.00 N ATOM 744 CA ASP A 58 -17.877 3.735 -2.439 1.00 0.00 C ATOM 745 C ASP A 58 -18.939 4.306 -1.506 1.00 0.00 C ATOM 746 O ASP A 58 -18.636 4.743 -0.394 1.00 0.00 O ATOM 747 CB ASP A 58 -18.272 2.317 -2.874 1.00 0.00 C ATOM 748 CG ASP A 58 -18.097 1.282 -1.777 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.447 1.565 -0.616 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.601 0.175 -2.076 1.00 0.00 O ATOM 0 H ASP A 58 -16.242 2.809 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.816 4.373 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.313 2.320 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.671 2.028 -3.736 1.00 0.00 H new ATOM 755 N ALA A 59 -20.191 4.271 -1.956 1.00 0.00 N ATOM 756 CA ALA A 59 -21.313 4.789 -1.175 1.00 0.00 C ATOM 757 C ALA A 59 -21.581 3.934 0.061 1.00 0.00 C ATOM 758 O ALA A 59 -22.384 4.301 0.920 1.00 0.00 O ATOM 759 CB ALA A 59 -22.566 4.873 -2.040 1.00 0.00 C ATOM 0 H ALA A 59 -20.456 3.887 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.045 5.790 -0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.393 5.260 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.382 5.539 -2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.819 3.880 -2.411 1.00 0.00 H new ATOM 765 N ASN A 60 -20.911 2.797 0.154 1.00 0.00 N ATOM 766 CA ASN A 60 -21.077 1.908 1.292 1.00 0.00 C ATOM 767 C ASN A 60 -19.984 2.178 2.313 1.00 0.00 C ATOM 768 O ASN A 60 -19.999 1.632 3.417 1.00 0.00 O ATOM 769 CB ASN A 60 -21.017 0.443 0.851 1.00 0.00 C ATOM 770 CG ASN A 60 -22.185 0.040 -0.028 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.285 0.581 0.084 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.958 -0.918 -0.915 1.00 0.00 N ATOM 0 H ASN A 60 -20.246 2.468 -0.546 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.053 2.096 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.086 0.270 0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.997 -0.196 1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.708 -1.229 -1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.034 -1.344 -0.980 1.00 0.00 H new ATOM 779 N GLY A 61 -19.036 3.025 1.931 1.00 0.00 N ATOM 780 CA GLY A 61 -17.935 3.356 2.807 1.00 0.00 C ATOM 781 C GLY A 61 -16.877 2.276 2.796 1.00 0.00 C ATOM 782 O GLY A 61 -16.227 2.013 3.809 1.00 0.00 O ATOM 0 H GLY A 61 -19.013 3.490 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.493 4.303 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.305 3.494 3.823 1.00 0.00 H new ATOM 786 N SER A 62 -16.711 1.636 1.648 1.00 0.00 N ATOM 787 CA SER A 62 -15.735 0.569 1.508 1.00 0.00 C ATOM 788 C SER A 62 -14.816 0.816 0.320 1.00 0.00 C ATOM 789 O SER A 62 -15.152 1.571 -0.593 1.00 0.00 O ATOM 790 CB SER A 62 -16.460 -0.765 1.350 1.00 0.00 C ATOM 791 OG SER A 62 -17.827 -0.562 1.019 1.00 0.00 O ATOM 0 H SER A 62 -17.241 1.838 0.800 1.00 0.00 H new ATOM 0 HA SER A 62 -15.116 0.543 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 62 -15.977 -1.356 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.386 -1.336 2.276 1.00 0.00 H new ATOM 0 HG SER A 62 -17.896 0.118 0.316 1.00 0.00 H new ATOM 797 N ALA A 63 -13.650 0.188 0.349 1.00 0.00 N ATOM 798 CA ALA A 63 -12.676 0.316 -0.721 1.00 0.00 C ATOM 799 C ALA A 63 -11.877 -0.976 -0.871 1.00 0.00 C ATOM 800 O ALA A 63 -11.173 -1.395 0.051 1.00 0.00 O ATOM 801 CB ALA A 63 -11.748 1.492 -0.447 1.00 0.00 C ATOM 0 H ALA A 63 -13.355 -0.422 1.112 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.204 0.501 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.022 1.579 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.333 2.410 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.224 1.330 0.495 1.00 0.00 H new ATOM 807 N SER A 64 -12.015 -1.618 -2.021 1.00 0.00 N ATOM 808 CA SER A 64 -11.306 -2.855 -2.290 1.00 0.00 C ATOM 809 C SER A 64 -10.399 -2.688 -3.502 1.00 0.00 C ATOM 810 O SER A 64 -10.805 -2.134 -4.525 1.00 0.00 O ATOM 811 CB SER A 64 -12.290 -4.005 -2.515 1.00 0.00 C ATOM 812 OG SER A 64 -11.784 -5.221 -1.981 1.00 0.00 O ATOM 0 H SER A 64 -12.614 -1.300 -2.783 1.00 0.00 H new ATOM 0 HA SER A 64 -10.692 -3.096 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.245 -3.768 -2.047 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.479 -4.123 -3.582 1.00 0.00 H new ATOM 0 HG SER A 64 -10.929 -5.051 -1.533 1.00 0.00 H new ATOM 818 N THR A 65 -9.172 -3.167 -3.384 1.00 0.00 N ATOM 819 CA THR A 65 -8.212 -3.049 -4.462 1.00 0.00 C ATOM 820 C THR A 65 -7.228 -4.219 -4.443 1.00 0.00 C ATOM 821 O THR A 65 -7.150 -4.958 -3.456 1.00 0.00 O ATOM 822 CB THR A 65 -7.455 -1.704 -4.361 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.688 -1.455 -5.548 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.541 -1.674 -3.145 1.00 0.00 C ATOM 0 H THR A 65 -8.820 -3.641 -2.552 1.00 0.00 H new ATOM 0 HA THR A 65 -8.753 -3.075 -5.408 1.00 0.00 H new ATOM 0 HB THR A 65 -8.204 -0.920 -4.253 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.337 -0.540 -5.525 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.023 -0.716 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.135 -1.806 -2.240 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.809 -2.479 -3.220 1.00 0.00 H new ATOM 832 N SER A 66 -6.496 -4.382 -5.537 1.00 0.00 N ATOM 833 CA SER A 66 -5.521 -5.458 -5.669 1.00 0.00 C ATOM 834 C SER A 66 -4.131 -4.891 -5.948 1.00 0.00 C ATOM 835 O SER A 66 -3.966 -4.031 -6.815 1.00 0.00 O ATOM 836 CB SER A 66 -5.943 -6.400 -6.798 1.00 0.00 C ATOM 837 OG SER A 66 -7.292 -6.805 -6.642 1.00 0.00 O ATOM 0 H SER A 66 -6.560 -3.776 -6.355 1.00 0.00 H new ATOM 0 HA SER A 66 -5.482 -6.015 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.818 -5.901 -7.759 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.295 -7.276 -6.807 1.00 0.00 H new ATOM 0 HG SER A 66 -7.540 -7.405 -7.376 1.00 0.00 H new ATOM 843 N LEU A 67 -3.135 -5.365 -5.210 1.00 0.00 N ATOM 844 CA LEU A 67 -1.772 -4.883 -5.377 1.00 0.00 C ATOM 845 C LEU A 67 -0.815 -6.015 -5.711 1.00 0.00 C ATOM 846 O LEU A 67 -0.714 -6.993 -4.974 1.00 0.00 O ATOM 847 CB LEU A 67 -1.292 -4.183 -4.101 1.00 0.00 C ATOM 848 CG LEU A 67 -1.828 -2.769 -3.870 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.824 -1.975 -5.166 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.224 -2.813 -3.265 1.00 0.00 C ATOM 0 H LEU A 67 -3.246 -6.081 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.779 -4.176 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.569 -4.799 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.203 -4.139 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.169 -2.266 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.209 -0.972 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.805 -1.907 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.455 -2.475 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.585 -1.796 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.898 -3.338 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.190 -3.336 -2.309 1.00 0.00 H new ATOM 862 N THR A 68 -0.117 -5.884 -6.822 1.00 0.00 N ATOM 863 CA THR A 68 0.848 -6.883 -7.230 1.00 0.00 C ATOM 864 C THR A 68 2.204 -6.573 -6.608 1.00 0.00 C ATOM 865 O THR A 68 2.913 -5.667 -7.052 1.00 0.00 O ATOM 866 CB THR A 68 0.982 -6.932 -8.760 1.00 0.00 C ATOM 867 OG1 THR A 68 0.080 -5.988 -9.361 1.00 0.00 O ATOM 868 CG2 THR A 68 0.684 -8.329 -9.277 1.00 0.00 C ATOM 0 H THR A 68 -0.201 -5.092 -7.459 1.00 0.00 H new ATOM 0 HA THR A 68 0.497 -7.856 -6.885 1.00 0.00 H new ATOM 0 HB THR A 68 2.006 -6.672 -9.027 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.579 -5.193 -9.643 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.784 -8.344 -10.362 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.387 -9.037 -8.838 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.333 -8.609 -9.002 1.00 0.00 H new ATOM 876 N VAL A 69 2.550 -7.308 -5.565 1.00 0.00 N ATOM 877 CA VAL A 69 3.809 -7.091 -4.871 1.00 0.00 C ATOM 878 C VAL A 69 4.987 -7.674 -5.651 1.00 0.00 C ATOM 879 O VAL A 69 4.998 -8.851 -6.009 1.00 0.00 O ATOM 880 CB VAL A 69 3.772 -7.666 -3.433 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.499 -9.166 -3.438 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.070 -7.363 -2.702 1.00 0.00 C ATOM 0 H VAL A 69 1.978 -8.060 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 69 3.951 -6.013 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 69 2.952 -7.181 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.480 -9.536 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.536 -9.359 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.285 -9.677 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.025 -7.775 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.904 -7.813 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.213 -6.284 -2.647 1.00 0.00 H new ATOM 892 N ARG A 70 5.964 -6.828 -5.941 1.00 0.00 N ATOM 893 CA ARG A 70 7.149 -7.246 -6.667 1.00 0.00 C ATOM 894 C ARG A 70 8.293 -7.458 -5.684 1.00 0.00 C ATOM 895 O ARG A 70 8.154 -7.172 -4.491 1.00 0.00 O ATOM 896 CB ARG A 70 7.538 -6.201 -7.715 1.00 0.00 C ATOM 897 CG ARG A 70 6.385 -5.755 -8.608 1.00 0.00 C ATOM 898 CD ARG A 70 5.766 -6.924 -9.358 1.00 0.00 C ATOM 899 NE ARG A 70 4.635 -6.503 -10.182 1.00 0.00 N ATOM 900 CZ ARG A 70 3.888 -7.326 -10.913 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.153 -8.626 -10.953 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.874 -6.837 -11.616 1.00 0.00 N ATOM 0 H ARG A 70 5.957 -5.842 -5.682 1.00 0.00 H new ATOM 0 HA ARG A 70 6.937 -8.181 -7.185 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.949 -5.328 -7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.332 -6.608 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.622 -5.268 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.744 -5.014 -9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.521 -7.392 -9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.435 -7.679 -8.645 1.00 0.00 H new ATOM 0 HE ARG A 70 4.402 -5.510 -10.198 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.936 -9.003 -10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.573 -9.248 -11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.673 -5.837 -11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.296 -7.461 -12.179 1.00 0.00 H new ATOM 916 N ARG A 71 9.419 -7.949 -6.174 1.00 0.00 N ATOM 917 CA ARG A 71 10.569 -8.199 -5.316 1.00 0.00 C ATOM 918 C ARG A 71 11.333 -6.903 -5.047 1.00 0.00 C ATOM 919 O ARG A 71 11.907 -6.717 -3.975 1.00 0.00 O ATOM 920 CB ARG A 71 11.496 -9.233 -5.959 1.00 0.00 C ATOM 921 CG ARG A 71 12.431 -9.915 -4.971 1.00 0.00 C ATOM 922 CD ARG A 71 11.685 -10.895 -4.075 1.00 0.00 C ATOM 923 NE ARG A 71 11.169 -12.045 -4.824 1.00 0.00 N ATOM 924 CZ ARG A 71 10.905 -13.232 -4.280 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.118 -13.434 -2.987 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.434 -14.223 -5.034 1.00 0.00 N ATOM 0 H ARG A 71 9.563 -8.182 -7.157 1.00 0.00 H new ATOM 0 HA ARG A 71 10.208 -8.592 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.891 -9.991 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.091 -8.744 -6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.214 -10.443 -5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.923 -9.162 -4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.352 -11.246 -3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.858 -10.381 -3.586 1.00 0.00 H new ATOM 0 HE ARG A 71 11.002 -11.929 -5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.485 -12.680 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.915 -14.344 -2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.275 -14.074 -6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.233 -15.131 -4.615 1.00 0.00 H new ATOM 940 N SER A 72 11.336 -6.013 -6.029 1.00 0.00 N ATOM 941 CA SER A 72 12.018 -4.732 -5.912 1.00 0.00 C ATOM 942 C SER A 72 11.254 -3.664 -6.690 1.00 0.00 C ATOM 943 O SER A 72 10.608 -3.970 -7.692 1.00 0.00 O ATOM 944 CB SER A 72 13.451 -4.852 -6.434 1.00 0.00 C ATOM 945 OG SER A 72 13.614 -6.028 -7.212 1.00 0.00 O ATOM 0 H SER A 72 10.869 -6.157 -6.924 1.00 0.00 H new ATOM 0 HA SER A 72 12.054 -4.441 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.697 -3.977 -7.036 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.147 -4.868 -5.595 1.00 0.00 H new ATOM 0 HG SER A 72 14.538 -6.081 -7.535 1.00 0.00 H new ATOM 951 N PHE A 73 11.321 -2.420 -6.230 1.00 0.00 N ATOM 952 CA PHE A 73 10.615 -1.328 -6.887 1.00 0.00 C ATOM 953 C PHE A 73 11.201 0.021 -6.498 1.00 0.00 C ATOM 954 O PHE A 73 11.974 0.123 -5.550 1.00 0.00 O ATOM 955 CB PHE A 73 9.124 -1.359 -6.512 1.00 0.00 C ATOM 956 CG PHE A 73 8.857 -1.197 -5.035 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.898 -2.292 -4.181 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.563 0.051 -4.501 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.649 -2.141 -2.830 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.313 0.205 -3.152 1.00 0.00 C ATOM 961 CZ PHE A 73 8.356 -0.890 -2.317 1.00 0.00 C ATOM 0 H PHE A 73 11.856 -2.143 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 73 10.728 -1.460 -7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.608 -0.566 -7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.696 -2.304 -6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.127 -3.271 -4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.529 0.913 -5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.683 -2.999 -2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.084 1.182 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.161 -0.772 -1.261 1.00 0.00 H new ATOM 971 N GLU A 74 10.835 1.049 -7.244 1.00 0.00 N ATOM 972 CA GLU A 74 11.289 2.395 -6.956 1.00 0.00 C ATOM 973 C GLU A 74 10.357 3.022 -5.926 1.00 0.00 C ATOM 974 O GLU A 74 9.151 3.130 -6.155 1.00 0.00 O ATOM 975 CB GLU A 74 11.324 3.250 -8.227 1.00 0.00 C ATOM 976 CG GLU A 74 12.247 2.717 -9.310 1.00 0.00 C ATOM 977 CD GLU A 74 11.575 1.695 -10.198 1.00 0.00 C ATOM 978 OE1 GLU A 74 10.665 2.070 -10.968 1.00 0.00 O ATOM 979 OE2 GLU A 74 11.945 0.510 -10.130 1.00 0.00 O ATOM 0 H GLU A 74 10.222 0.975 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 74 12.303 2.349 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.314 3.324 -8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.637 4.260 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.600 3.547 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.124 2.267 -8.845 1.00 0.00 H new ATOM 986 N GLY A 75 10.914 3.410 -4.790 1.00 0.00 N ATOM 987 CA GLY A 75 10.115 3.998 -3.738 1.00 0.00 C ATOM 988 C GLY A 75 9.717 5.427 -4.032 1.00 0.00 C ATOM 989 O GLY A 75 10.573 6.278 -4.301 1.00 0.00 O ATOM 0 H GLY A 75 11.908 3.328 -4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.217 3.398 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.674 3.967 -2.803 1.00 0.00 H new ATOM 993 N PHE A 76 8.420 5.694 -3.965 1.00 0.00 N ATOM 994 CA PHE A 76 7.892 7.020 -4.228 1.00 0.00 C ATOM 995 C PHE A 76 6.970 7.437 -3.095 1.00 0.00 C ATOM 996 O PHE A 76 6.262 6.605 -2.525 1.00 0.00 O ATOM 997 CB PHE A 76 7.122 7.048 -5.551 1.00 0.00 C ATOM 998 CG PHE A 76 7.984 7.243 -6.771 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.888 6.269 -7.168 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.880 8.399 -7.528 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.669 6.446 -8.293 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.660 8.579 -8.655 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.555 7.601 -9.039 1.00 0.00 C ATOM 0 H PHE A 76 7.710 5.001 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 76 8.728 7.716 -4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.571 6.113 -5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.384 7.850 -5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.982 5.361 -6.590 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.181 9.168 -7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.370 5.679 -8.589 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.569 9.485 -9.235 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.164 7.739 -9.920 1.00 0.00 H new ATOM 1013 N LEU A 77 6.990 8.712 -2.756 1.00 0.00 N ATOM 1014 CA LEU A 77 6.147 9.223 -1.691 1.00 0.00 C ATOM 1015 C LEU A 77 4.705 9.355 -2.174 1.00 0.00 C ATOM 1016 O LEU A 77 4.412 9.109 -3.347 1.00 0.00 O ATOM 1017 CB LEU A 77 6.680 10.564 -1.191 1.00 0.00 C ATOM 1018 CG LEU A 77 8.132 10.539 -0.712 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.560 11.919 -0.249 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.326 9.516 0.401 1.00 0.00 C ATOM 0 H LEU A 77 7.581 9.413 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 77 6.164 8.519 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.589 11.297 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.048 10.908 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 77 8.760 10.243 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.596 11.884 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.471 12.624 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.921 12.241 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.368 9.520 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.685 9.771 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.064 8.524 0.033 1.00 0.00 H new ATOM 1032 N PHE A 78 3.812 9.750 -1.276 1.00 0.00 N ATOM 1033 CA PHE A 78 2.400 9.894 -1.607 1.00 0.00 C ATOM 1034 C PHE A 78 2.197 11.029 -2.607 1.00 0.00 C ATOM 1035 O PHE A 78 1.347 10.947 -3.494 1.00 0.00 O ATOM 1036 CB PHE A 78 1.591 10.165 -0.337 1.00 0.00 C ATOM 1037 CG PHE A 78 0.124 9.863 -0.478 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -0.737 10.775 -1.070 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.391 8.665 -0.014 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -2.083 10.496 -1.199 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.737 8.380 -0.139 1.00 0.00 C ATOM 1042 CZ PHE A 78 -2.583 9.298 -0.731 1.00 0.00 C ATOM 0 H PHE A 78 4.042 9.977 -0.309 1.00 0.00 H new ATOM 0 HA PHE A 78 2.053 8.966 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.999 9.567 0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.712 11.211 -0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.350 11.715 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.266 7.945 0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.743 11.213 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.127 7.441 0.225 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.636 9.078 -0.828 1.00 0.00 H new ATOM 1052 N ASP A 79 2.994 12.078 -2.461 1.00 0.00 N ATOM 1053 CA ASP A 79 2.905 13.241 -3.343 1.00 0.00 C ATOM 1054 C ASP A 79 3.476 12.935 -4.727 1.00 0.00 C ATOM 1055 O ASP A 79 3.203 13.650 -5.693 1.00 0.00 O ATOM 1056 CB ASP A 79 3.630 14.443 -2.733 1.00 0.00 C ATOM 1057 CG ASP A 79 5.135 14.366 -2.897 1.00 0.00 C ATOM 1058 OD1 ASP A 79 5.735 13.354 -2.479 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.729 15.323 -3.435 1.00 0.00 O ATOM 0 H ASP A 79 3.712 12.151 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 79 1.849 13.485 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.264 15.357 -3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.387 14.508 -1.672 1.00 0.00 H new ATOM 1064 N GLY A 80 4.262 11.871 -4.818 1.00 0.00 N ATOM 1065 CA GLY A 80 4.847 11.487 -6.089 1.00 0.00 C ATOM 1066 C GLY A 80 6.341 11.708 -6.148 1.00 0.00 C ATOM 1067 O GLY A 80 6.977 11.382 -7.149 1.00 0.00 O ATOM 0 H GLY A 80 4.506 11.266 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.634 10.434 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.370 12.056 -6.888 1.00 0.00 H new ATOM 1071 N THR A 81 6.903 12.262 -5.085 1.00 0.00 N ATOM 1072 CA THR A 81 8.332 12.509 -5.033 1.00 0.00 C ATOM 1073 C THR A 81 9.089 11.203 -4.775 1.00 0.00 C ATOM 1074 O THR A 81 8.736 10.436 -3.879 1.00 0.00 O ATOM 1075 CB THR A 81 8.670 13.555 -3.948 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.117 14.831 -4.315 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.173 13.696 -3.744 1.00 0.00 C ATOM 0 H THR A 81 6.392 12.548 -4.250 1.00 0.00 H new ATOM 0 HA THR A 81 8.646 12.908 -5.997 1.00 0.00 H new ATOM 0 HB THR A 81 8.234 13.211 -3.010 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.156 14.839 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.367 14.441 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.590 12.737 -3.435 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.639 14.010 -4.678 1.00 0.00 H new ATOM 1085 N ARG A 82 10.112 10.947 -5.581 1.00 0.00 N ATOM 1086 CA ARG A 82 10.906 9.732 -5.443 1.00 0.00 C ATOM 1087 C ARG A 82 11.854 9.840 -4.250 1.00 0.00 C ATOM 1088 O ARG A 82 12.339 10.926 -3.930 1.00 0.00 O ATOM 1089 CB ARG A 82 11.693 9.462 -6.729 1.00 0.00 C ATOM 1090 CG ARG A 82 12.658 10.575 -7.100 1.00 0.00 C ATOM 1091 CD ARG A 82 13.189 10.406 -8.514 1.00 0.00 C ATOM 1092 NE ARG A 82 14.145 11.457 -8.862 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.539 11.726 -10.109 1.00 0.00 C ATOM 1094 NH1 ARG A 82 14.041 11.042 -11.128 1.00 0.00 N ATOM 1095 NH2 ARG A 82 15.434 12.679 -10.331 1.00 0.00 N ATOM 0 H ARG A 82 10.411 11.564 -6.336 1.00 0.00 H new ATOM 0 HA ARG A 82 10.229 8.896 -5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.251 8.533 -6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.991 9.313 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.155 11.538 -7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.491 10.585 -6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.669 9.432 -8.609 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.358 10.422 -9.219 1.00 0.00 H new ATOM 0 HE ARG A 82 14.535 12.019 -8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.354 10.307 -10.962 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.345 11.251 -12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.822 13.207 -9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.735 12.884 -11.284 1.00 0.00 H new ATOM 1109 N TRP A 83 12.097 8.722 -3.582 1.00 0.00 N ATOM 1110 CA TRP A 83 12.989 8.704 -2.429 1.00 0.00 C ATOM 1111 C TRP A 83 14.184 7.796 -2.697 1.00 0.00 C ATOM 1112 O TRP A 83 15.324 8.260 -2.784 1.00 0.00 O ATOM 1113 CB TRP A 83 12.231 8.234 -1.182 1.00 0.00 C ATOM 1114 CG TRP A 83 13.000 8.392 0.098 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.071 7.651 0.509 1.00 0.00 C ATOM 1116 CD2 TRP A 83 12.747 9.341 1.140 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.501 8.084 1.737 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.706 9.121 2.148 1.00 0.00 C ATOM 1119 CE3 TRP A 83 11.805 10.359 1.321 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 13.748 9.881 3.314 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 11.849 11.112 2.480 1.00 0.00 C ATOM 1122 CH2 TRP A 83 12.814 10.870 3.464 1.00 0.00 C ATOM 0 H TRP A 83 11.691 7.816 -3.817 1.00 0.00 H new ATOM 0 HA TRP A 83 13.356 9.716 -2.255 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.298 8.793 -1.105 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.964 7.184 -1.306 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.515 6.842 -0.052 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.286 7.696 2.260 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.056 10.554 0.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.492 9.696 4.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.126 11.901 2.628 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.822 11.475 4.359 1.00 0.00 H new ATOM 1133 N GLY A 84 13.914 6.505 -2.832 1.00 0.00 N ATOM 1134 CA GLY A 84 14.965 5.544 -3.088 1.00 0.00 C ATOM 1135 C GLY A 84 14.405 4.208 -3.518 1.00 0.00 C ATOM 1136 O GLY A 84 13.228 3.926 -3.291 1.00 0.00 O ATOM 0 H GLY A 84 12.978 6.105 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.628 5.927 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.567 5.414 -2.189 1.00 0.00 H new ATOM 1140 N THR A 85 15.234 3.392 -4.147 1.00 0.00 N ATOM 1141 CA THR A 85 14.808 2.082 -4.608 1.00 0.00 C ATOM 1142 C THR A 85 14.663 1.117 -3.436 1.00 0.00 C ATOM 1143 O THR A 85 15.594 0.932 -2.652 1.00 0.00 O ATOM 1144 CB THR A 85 15.811 1.506 -5.620 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.833 2.477 -5.895 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.117 1.115 -6.916 1.00 0.00 C ATOM 0 H THR A 85 16.208 3.615 -4.350 1.00 0.00 H new ATOM 0 HA THR A 85 13.840 2.202 -5.094 1.00 0.00 H new ATOM 0 HB THR A 85 16.259 0.612 -5.186 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.502 2.459 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.850 0.711 -7.614 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.358 0.360 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.644 1.994 -7.355 1.00 0.00 H new ATOM 1154 N VAL A 86 13.495 0.510 -3.324 1.00 0.00 N ATOM 1155 CA VAL A 86 13.229 -0.436 -2.254 1.00 0.00 C ATOM 1156 C VAL A 86 13.359 -1.855 -2.780 1.00 0.00 C ATOM 1157 O VAL A 86 12.772 -2.203 -3.808 1.00 0.00 O ATOM 1158 CB VAL A 86 11.822 -0.249 -1.645 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.663 -1.106 -0.395 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.560 1.219 -1.333 1.00 0.00 C ATOM 0 H VAL A 86 12.713 0.656 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 86 13.962 -0.251 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 86 11.084 -0.575 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.666 -0.962 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.800 -2.156 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.410 -0.814 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.563 1.328 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.302 1.578 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.626 1.803 -2.251 1.00 0.00 H new ATOM 1170 N ASP A 87 14.135 -2.668 -2.083 1.00 0.00 N ATOM 1171 CA ASP A 87 14.353 -4.047 -2.486 1.00 0.00 C ATOM 1172 C ASP A 87 13.968 -5.004 -1.360 1.00 0.00 C ATOM 1173 O ASP A 87 14.488 -4.912 -0.247 1.00 0.00 O ATOM 1174 CB ASP A 87 15.816 -4.254 -2.886 1.00 0.00 C ATOM 1175 CG ASP A 87 16.092 -5.669 -3.340 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.310 -6.548 -2.479 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.090 -5.915 -4.561 1.00 0.00 O ATOM 0 H ASP A 87 14.626 -2.395 -1.232 1.00 0.00 H new ATOM 0 HA ASP A 87 13.720 -4.261 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.073 -3.561 -3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.459 -4.015 -2.039 1.00 0.00 H new ATOM 1182 N CYS A 88 13.059 -5.921 -1.656 1.00 0.00 N ATOM 1183 CA CYS A 88 12.600 -6.894 -0.676 1.00 0.00 C ATOM 1184 C CYS A 88 13.109 -8.295 -1.009 1.00 0.00 C ATOM 1185 O CYS A 88 12.398 -9.280 -0.822 1.00 0.00 O ATOM 1186 CB CYS A 88 11.069 -6.895 -0.598 1.00 0.00 C ATOM 1187 SG CYS A 88 10.368 -5.477 0.315 1.00 0.00 S ATOM 0 H CYS A 88 12.622 -6.012 -2.573 1.00 0.00 H new ATOM 0 HA CYS A 88 13.004 -6.606 0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.664 -6.898 -1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.741 -7.819 -0.121 1.00 0.00 H new ATOM 1192 N THR A 89 14.330 -8.383 -1.521 1.00 0.00 N ATOM 1193 CA THR A 89 14.915 -9.677 -1.834 1.00 0.00 C ATOM 1194 C THR A 89 15.473 -10.304 -0.561 1.00 0.00 C ATOM 1195 O THR A 89 15.278 -11.487 -0.291 1.00 0.00 O ATOM 1196 CB THR A 89 16.038 -9.549 -2.880 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.630 -8.652 -3.919 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.391 -10.898 -3.488 1.00 0.00 C ATOM 0 H THR A 89 14.928 -7.582 -1.726 1.00 0.00 H new ATOM 0 HA THR A 89 14.133 -10.311 -2.252 1.00 0.00 H new ATOM 0 HB THR A 89 16.923 -9.160 -2.375 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.347 -8.571 -4.582 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.187 -10.769 -4.222 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.728 -11.574 -2.702 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.512 -11.318 -3.976 1.00 0.00 H new ATOM 1206 N THR A 90 16.133 -9.479 0.238 1.00 0.00 N ATOM 1207 CA THR A 90 16.719 -9.926 1.489 1.00 0.00 C ATOM 1208 C THR A 90 15.885 -9.425 2.669 1.00 0.00 C ATOM 1209 O THR A 90 16.271 -9.569 3.830 1.00 0.00 O ATOM 1210 CB THR A 90 18.183 -9.436 1.624 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.733 -9.792 2.901 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.270 -7.927 1.436 1.00 0.00 C ATOM 0 H THR A 90 16.276 -8.489 0.038 1.00 0.00 H new ATOM 0 HA THR A 90 16.724 -11.016 1.492 1.00 0.00 H new ATOM 0 HB THR A 90 18.763 -9.927 0.843 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.006 -9.918 3.546 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.307 -7.607 1.535 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.902 -7.662 0.445 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.663 -7.430 2.193 1.00 0.00 H new ATOM 1220 N ALA A 91 14.732 -8.851 2.360 1.00 0.00 N ATOM 1221 CA ALA A 91 13.840 -8.317 3.378 1.00 0.00 C ATOM 1222 C ALA A 91 12.392 -8.581 2.995 1.00 0.00 C ATOM 1223 O ALA A 91 12.123 -9.234 1.986 1.00 0.00 O ATOM 1224 CB ALA A 91 14.078 -6.825 3.570 1.00 0.00 C ATOM 0 H ALA A 91 14.390 -8.743 1.405 1.00 0.00 H new ATOM 0 HA ALA A 91 14.049 -8.819 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.402 -6.444 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.109 -6.658 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.894 -6.303 2.631 1.00 0.00 H new ATOM 1230 N ALA A 92 11.468 -8.071 3.793 1.00 0.00 N ATOM 1231 CA ALA A 92 10.049 -8.256 3.533 1.00 0.00 C ATOM 1232 C ALA A 92 9.364 -6.916 3.316 1.00 0.00 C ATOM 1233 O ALA A 92 9.661 -5.935 4.002 1.00 0.00 O ATOM 1234 CB ALA A 92 9.395 -9.011 4.681 1.00 0.00 C ATOM 0 H ALA A 92 11.676 -7.524 4.629 1.00 0.00 H new ATOM 0 HA ALA A 92 9.939 -8.846 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.333 -9.142 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.867 -9.988 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.516 -8.445 5.605 1.00 0.00 H new ATOM 1240 N CYS A 93 8.453 -6.877 2.359 1.00 0.00 N ATOM 1241 CA CYS A 93 7.714 -5.662 2.054 1.00 0.00 C ATOM 1242 C CYS A 93 6.474 -5.585 2.939 1.00 0.00 C ATOM 1243 O CYS A 93 6.271 -6.433 3.811 1.00 0.00 O ATOM 1244 CB CYS A 93 7.300 -5.647 0.575 1.00 0.00 C ATOM 1245 SG CYS A 93 8.592 -5.115 -0.608 1.00 0.00 S ATOM 0 H CYS A 93 8.206 -7.677 1.776 1.00 0.00 H new ATOM 0 HA CYS A 93 8.353 -4.800 2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 93 6.971 -6.649 0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.439 -4.988 0.465 1.00 0.00 H new ATOM 1250 N GLN A 94 5.649 -4.572 2.728 1.00 0.00 N ATOM 1251 CA GLN A 94 4.425 -4.418 3.498 1.00 0.00 C ATOM 1252 C GLN A 94 3.354 -3.743 2.657 1.00 0.00 C ATOM 1253 O GLN A 94 3.620 -3.311 1.535 1.00 0.00 O ATOM 1254 CB GLN A 94 4.671 -3.632 4.793 1.00 0.00 C ATOM 1255 CG GLN A 94 5.431 -2.333 4.610 1.00 0.00 C ATOM 1256 CD GLN A 94 6.832 -2.397 5.185 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.795 -2.710 4.486 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.952 -2.117 6.473 1.00 0.00 N ATOM 0 H GLN A 94 5.804 -3.844 2.030 1.00 0.00 H new ATOM 0 HA GLN A 94 4.077 -5.413 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.709 -3.412 5.257 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.223 -4.266 5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.488 -2.095 3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.881 -1.523 5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.129 -1.862 7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.868 -2.157 6.920 1.00 0.00 H new ATOM 1267 N VAL A 95 2.139 -3.687 3.180 1.00 0.00 N ATOM 1268 CA VAL A 95 1.034 -3.061 2.469 1.00 0.00 C ATOM 1269 C VAL A 95 0.914 -1.588 2.852 1.00 0.00 C ATOM 1270 O VAL A 95 0.822 -1.250 4.034 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.307 -3.778 2.747 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.410 -3.220 1.859 1.00 0.00 C ATOM 1273 CG2 VAL A 95 -0.162 -5.279 2.548 1.00 0.00 C ATOM 0 H VAL A 95 1.893 -4.067 4.094 1.00 0.00 H new ATOM 0 HA VAL A 95 1.251 -3.143 1.404 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.584 -3.596 3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.345 -3.739 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.533 -2.155 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.143 -3.366 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.116 -5.766 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.141 -5.482 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.593 -5.665 3.232 1.00 0.00 H new ATOM 1283 N GLY A 96 0.918 -0.720 1.851 1.00 0.00 N ATOM 1284 CA GLY A 96 0.820 0.699 2.098 1.00 0.00 C ATOM 1285 C GLY A 96 -0.580 1.229 1.903 1.00 0.00 C ATOM 1286 O GLY A 96 -1.109 1.199 0.794 1.00 0.00 O ATOM 0 H GLY A 96 0.988 -0.978 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.145 0.910 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.500 1.228 1.431 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.181 1.704 2.982 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.530 2.247 2.928 1.00 0.00 C ATOM 1292 C LEU A 97 -2.554 3.657 3.505 1.00 0.00 C ATOM 1293 O LEU A 97 -2.200 3.863 4.669 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.501 1.358 3.713 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.318 -0.149 3.528 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -2.635 -0.755 4.742 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.659 -0.820 3.285 1.00 0.00 C ATOM 0 H LEU A 97 -0.755 1.725 3.909 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.842 2.278 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.401 1.590 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.519 1.620 3.424 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.684 -0.315 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.513 -1.828 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.657 -0.294 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.245 -0.579 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.511 -1.892 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.314 -0.645 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.116 -0.405 2.386 1.00 0.00 H new ATOM 1309 N SER A 98 -2.942 4.627 2.689 1.00 0.00 N ATOM 1310 CA SER A 98 -3.022 6.014 3.126 1.00 0.00 C ATOM 1311 C SER A 98 -4.062 6.770 2.304 1.00 0.00 C ATOM 1312 O SER A 98 -4.158 6.593 1.092 1.00 0.00 O ATOM 1313 CB SER A 98 -1.648 6.691 3.017 1.00 0.00 C ATOM 1314 OG SER A 98 -0.747 6.171 3.984 1.00 0.00 O ATOM 0 H SER A 98 -3.208 4.478 1.716 1.00 0.00 H new ATOM 0 HA SER A 98 -3.330 6.032 4.171 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.242 6.539 2.017 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.756 7.767 3.157 1.00 0.00 H new ATOM 0 HG SER A 98 -1.147 5.387 4.416 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.857 7.587 2.975 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.888 8.370 2.308 1.00 0.00 C ATOM 1322 C ASP A 99 -5.369 9.766 1.978 1.00 0.00 C ATOM 1323 O ASP A 99 -4.163 10.025 2.058 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.141 8.468 3.191 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.000 9.483 4.310 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.960 9.483 4.996 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.933 10.291 4.501 1.00 0.00 O ATOM 0 H ASP A 99 -4.809 7.727 3.984 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.153 7.867 1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.996 8.736 2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.353 7.489 3.621 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.285 10.658 1.609 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.940 12.036 1.278 1.00 0.00 C ATOM 1334 C ALA A 100 -5.201 12.713 2.430 1.00 0.00 C ATOM 1335 O ALA A 100 -4.302 13.529 2.210 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.197 12.816 0.926 1.00 0.00 C ATOM 0 H ALA A 100 -7.280 10.447 1.532 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.274 12.023 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.930 13.844 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.685 12.353 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.878 12.811 1.777 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.581 12.370 3.656 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.944 12.936 4.836 1.00 0.00 C ATOM 1344 C ALA A 101 -3.636 12.210 5.139 1.00 0.00 C ATOM 1345 O ALA A 101 -2.641 12.825 5.525 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.879 12.863 6.032 1.00 0.00 C ATOM 0 H ALA A 101 -6.326 11.703 3.857 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.719 13.984 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.387 13.290 6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.789 13.424 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.133 11.822 6.232 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.651 10.896 4.957 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.468 10.095 5.202 1.00 0.00 C ATOM 1354 C GLY A 102 -2.673 9.123 6.341 1.00 0.00 C ATOM 1355 O GLY A 102 -1.710 8.641 6.937 1.00 0.00 O ATOM 0 H GLY A 102 -4.466 10.369 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.208 9.545 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.627 10.750 5.430 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.932 8.827 6.634 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.274 7.916 7.716 1.00 0.00 C ATOM 1361 C ASN A 103 -4.996 6.694 7.167 1.00 0.00 C ATOM 1362 O ASN A 103 -4.943 6.424 5.963 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.145 8.625 8.762 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.396 9.713 9.510 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.637 9.437 10.438 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.618 10.964 9.129 1.00 0.00 N ATOM 0 H ASN A 103 -4.736 9.207 6.135 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.353 7.591 8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.014 9.061 8.269 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.518 7.891 9.476 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.153 11.734 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.254 11.156 8.355 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.660 5.954 8.044 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.379 4.771 7.623 1.00 0.00 C ATOM 1375 C GLY A 104 -5.846 3.526 8.303 1.00 0.00 C ATOM 1376 O GLY A 104 -5.096 3.636 9.276 1.00 0.00 O ATOM 0 H GLY A 104 -5.713 6.154 9.043 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.438 4.887 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.297 4.660 6.542 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.214 2.330 7.818 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.756 1.061 8.396 1.00 0.00 C ATOM 1382 C PRO A 105 -4.234 0.970 8.447 1.00 0.00 C ATOM 1383 O PRO A 105 -3.544 1.435 7.535 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.327 -0.007 7.454 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.734 0.731 6.222 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.102 2.116 6.668 1.00 0.00 C ATOM 0 HA PRO A 105 -6.088 0.946 9.428 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.582 -0.770 7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.178 -0.516 7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.920 0.758 5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.578 0.241 5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.933 2.853 5.883 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.153 2.185 6.949 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.721 0.378 9.518 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.284 0.230 9.703 1.00 0.00 C ATOM 1396 C GLU A 106 -1.704 -0.753 8.695 1.00 0.00 C ATOM 1397 O GLU A 106 -2.337 -1.757 8.354 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.967 -0.232 11.127 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.224 0.831 12.180 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.882 0.366 13.581 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.746 -0.108 13.797 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -2.750 0.469 14.471 1.00 0.00 O ATOM 0 H GLU A 106 -4.283 -0.009 10.276 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.825 1.205 9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.567 -1.112 11.357 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.922 -0.537 11.177 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.638 1.719 11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.273 1.124 12.145 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.500 -0.455 8.224 1.00 0.00 N ATOM 1410 CA GLY A 107 0.156 -1.313 7.259 1.00 0.00 C ATOM 1411 C GLY A 107 0.568 -2.642 7.853 1.00 0.00 C ATOM 1412 O GLY A 107 0.980 -2.713 9.011 1.00 0.00 O ATOM 0 H GLY A 107 0.035 0.370 8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.514 -1.487 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.037 -0.806 6.866 1.00 0.00 H new ATOM 1416 N VAL A 108 0.444 -3.700 7.066 1.00 0.00 N ATOM 1417 CA VAL A 108 0.808 -5.035 7.515 1.00 0.00 C ATOM 1418 C VAL A 108 1.984 -5.552 6.698 1.00 0.00 C ATOM 1419 O VAL A 108 2.010 -5.397 5.476 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.379 -6.019 7.388 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.034 -7.373 7.992 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.629 -5.440 8.036 1.00 0.00 C ATOM 0 H VAL A 108 0.093 -3.659 6.109 1.00 0.00 H new ATOM 0 HA VAL A 108 1.086 -4.969 8.567 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.582 -6.168 6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.886 -8.045 7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.826 -7.795 7.472 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.205 -7.250 9.048 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.452 -6.148 7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.438 -5.253 9.093 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.893 -4.504 7.544 1.00 0.00 H new ATOM 1432 N ALA A 109 2.953 -6.152 7.372 1.00 0.00 N ATOM 1433 CA ALA A 109 4.130 -6.678 6.701 1.00 0.00 C ATOM 1434 C ALA A 109 3.825 -7.999 6.006 1.00 0.00 C ATOM 1435 O ALA A 109 3.112 -8.849 6.545 1.00 0.00 O ATOM 1436 CB ALA A 109 5.267 -6.855 7.693 1.00 0.00 C ATOM 0 H ALA A 109 2.947 -6.286 8.383 1.00 0.00 H new ATOM 0 HA ALA A 109 4.433 -5.959 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.142 -7.250 7.177 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.513 -5.892 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.963 -7.551 8.475 1.00 0.00 H new ATOM 1442 N ILE A 110 4.377 -8.167 4.812 1.00 0.00 N ATOM 1443 CA ILE A 110 4.175 -9.376 4.026 1.00 0.00 C ATOM 1444 C ILE A 110 5.521 -9.989 3.651 1.00 0.00 C ATOM 1445 O ILE A 110 6.273 -9.435 2.849 1.00 0.00 O ATOM 1446 CB ILE A 110 3.341 -9.102 2.752 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.873 -7.876 2.003 1.00 0.00 C ATOM 1448 CG2 ILE A 110 1.880 -8.907 3.115 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.147 -7.582 0.706 1.00 0.00 C ATOM 0 H ILE A 110 4.974 -7.473 4.363 1.00 0.00 H new ATOM 0 HA ILE A 110 3.615 -10.080 4.641 1.00 0.00 H new ATOM 0 HB ILE A 110 3.428 -9.966 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.799 -7.005 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.931 -8.025 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.303 -8.715 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.503 -9.806 3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.784 -8.060 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.583 -6.700 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.242 -8.435 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.092 -7.399 0.913 1.00 0.00 H new ATOM 1461 N SER A 111 5.827 -11.126 4.251 1.00 0.00 N ATOM 1462 CA SER A 111 7.087 -11.804 3.996 1.00 0.00 C ATOM 1463 C SER A 111 6.935 -12.845 2.897 1.00 0.00 C ATOM 1464 O SER A 111 5.903 -13.507 2.793 1.00 0.00 O ATOM 1465 CB SER A 111 7.592 -12.463 5.277 1.00 0.00 C ATOM 1466 OG SER A 111 7.439 -11.587 6.382 1.00 0.00 O ATOM 0 H SER A 111 5.220 -11.600 4.919 1.00 0.00 H new ATOM 0 HA SER A 111 7.813 -11.063 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.042 -13.386 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.642 -12.734 5.164 1.00 0.00 H new ATOM 0 HG SER A 111 7.766 -12.026 7.195 1.00 0.00 H new ATOM 1472 N PHE A 112 7.965 -12.975 2.077 1.00 0.00 N ATOM 1473 CA PHE A 112 7.969 -13.939 0.989 1.00 0.00 C ATOM 1474 C PHE A 112 8.582 -15.249 1.477 1.00 0.00 C ATOM 1475 O PHE A 112 9.210 -15.283 2.538 1.00 0.00 O ATOM 1476 CB PHE A 112 8.771 -13.406 -0.207 1.00 0.00 C ATOM 1477 CG PHE A 112 8.369 -12.023 -0.653 1.00 0.00 C ATOM 1478 CD1 PHE A 112 8.848 -10.899 0.004 1.00 0.00 C ATOM 1479 CD2 PHE A 112 7.516 -11.848 -1.729 1.00 0.00 C ATOM 1480 CE1 PHE A 112 8.484 -9.631 -0.405 1.00 0.00 C ATOM 1481 CE2 PHE A 112 7.149 -10.582 -2.143 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.634 -9.473 -1.480 1.00 0.00 C ATOM 0 H PHE A 112 8.817 -12.419 2.146 1.00 0.00 H new ATOM 0 HA PHE A 112 6.942 -14.109 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.829 -13.398 0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.654 -14.094 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 112 9.514 -11.017 0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.133 -12.712 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 112 8.864 -8.765 0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.483 -10.460 -2.985 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.348 -8.483 -1.802 1.00 0.00 H new ATOM 1492 N ASN A 113 8.403 -16.320 0.720 1.00 0.00 N ATOM 1493 CA ASN A 113 8.963 -17.614 1.104 1.00 0.00 C ATOM 1494 C ASN A 113 10.449 -17.670 0.780 1.00 0.00 C ATOM 1495 O ASN A 113 11.191 -18.351 1.518 1.00 0.00 O ATOM 1496 CB ASN A 113 8.225 -18.771 0.421 1.00 0.00 C ATOM 1497 CG ASN A 113 8.195 -18.644 -1.089 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.126 -19.050 -1.786 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.105 -18.116 -1.613 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.874 -17.007 -0.189 1.00 0.00 O ATOM 0 H ASN A 113 7.880 -16.324 -0.156 1.00 0.00 H new ATOM 0 HA ASN A 113 8.832 -17.724 2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.705 -19.711 0.692 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.203 -18.815 0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.014 -18.034 -2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.353 -17.790 -1.005 1.00 0.00 H new