USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 855 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 51 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.012 (180deg=-0.225) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0325 X(o=-0.032,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 8 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.37) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -123:sc= 1.52 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -134:sc= 1.22 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -63:sc= 1.26 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.553 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -37:sc= 0.769 USER MOD Single : A 46 GLN : amide:sc= -8! C(o=-8!,f=-9.8!) USER MOD Single : A 55 TYR OH : rot -162:sc= 0.107 USER MOD Single : A 57 ASN : amide:sc= -0.78 K(o=-0.78,f=-3.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.36) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-3.6!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.264 F(o=-1.8,f=-0.26) USER MOD Single : A 85 TYR OH : rot 165:sc= 0.248 USER MOD Single : A 88 ASN : amide:sc=-0.00987 X(o=-0.0099,f=-0.0099) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00707) USER MOD Single : A 94 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.128) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -130:sc= 0.184 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.27) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.561 -44.235 20.830 1.00 20.33 N ATOM 2 CA MET A 1 8.440 -43.002 20.061 1.00 64.42 C ATOM 3 C MET A 1 7.466 -42.038 20.729 1.00 11.30 C ATOM 4 O MET A 1 6.275 -42.028 20.417 1.00 25.53 O ATOM 5 CB MET A 1 7.976 -43.309 18.636 1.00 44.24 C ATOM 6 CG MET A 1 8.994 -44.091 17.820 1.00 15.42 C ATOM 7 SD MET A 1 10.486 -43.139 17.475 1.00 30.51 S ATOM 8 CE MET A 1 11.722 -44.136 18.305 1.00 52.41 C ATOM 0 H1 MET A 1 9.399 -44.762 20.511 1.00 20.33 H new ATOM 0 H2 MET A 1 8.660 -44.006 21.840 1.00 20.33 H new ATOM 0 H3 MET A 1 7.711 -44.817 20.689 1.00 20.33 H new ATOM 0 HA MET A 1 9.421 -42.529 20.022 1.00 64.42 H new ATOM 0 HB2 MET A 1 7.046 -43.875 18.680 1.00 44.24 H new ATOM 0 HB3 MET A 1 7.755 -42.372 18.125 1.00 44.24 H new ATOM 0 HG2 MET A 1 9.264 -45.000 18.358 1.00 15.42 H new ATOM 0 HG3 MET A 1 8.539 -44.400 16.879 1.00 15.42 H new ATOM 0 HE1 MET A 1 12.703 -43.676 18.182 1.00 52.41 H new ATOM 0 HE2 MET A 1 11.483 -44.203 19.366 1.00 52.41 H new ATOM 0 HE3 MET A 1 11.733 -45.136 17.872 1.00 52.41 H new ATOM 18 N ALA A 2 7.979 -41.228 21.649 1.00 2.31 N ATOM 19 CA ALA A 2 7.154 -40.258 22.360 1.00 63.55 C ATOM 20 C ALA A 2 7.251 -38.879 21.716 1.00 20.24 C ATOM 21 O ALA A 2 8.340 -38.413 21.386 1.00 43.33 O ATOM 22 CB ALA A 2 7.563 -40.190 23.824 1.00 72.14 C ATOM 0 H ALA A 2 8.962 -41.224 21.920 1.00 2.31 H new ATOM 0 HA ALA A 2 6.116 -40.586 22.299 1.00 63.55 H new ATOM 0 HB1 ALA A 2 6.939 -39.462 24.343 1.00 72.14 H new ATOM 0 HB2 ALA A 2 7.435 -41.170 24.283 1.00 72.14 H new ATOM 0 HB3 ALA A 2 8.608 -39.889 23.896 1.00 72.14 H new ATOM 28 N GLY A 3 6.103 -38.231 21.541 1.00 3.13 N ATOM 29 CA GLY A 3 6.081 -36.912 20.937 1.00 2.43 C ATOM 30 C GLY A 3 6.102 -35.801 21.969 1.00 71.20 C ATOM 31 O GLY A 3 5.089 -35.521 22.610 1.00 52.04 O ATOM 0 H GLY A 3 5.188 -38.596 21.807 1.00 3.13 H new ATOM 0 HA2 GLY A 3 6.940 -36.805 20.275 1.00 2.43 H new ATOM 0 HA3 GLY A 3 5.188 -36.813 20.320 1.00 2.43 H new ATOM 35 N SER A 4 7.259 -35.168 22.132 1.00 63.22 N ATOM 36 CA SER A 4 7.409 -34.086 23.097 1.00 4.23 C ATOM 37 C SER A 4 7.681 -32.761 22.391 1.00 60.34 C ATOM 38 O SER A 4 8.484 -31.950 22.854 1.00 70.54 O ATOM 39 CB SER A 4 8.545 -34.398 24.073 1.00 22.44 C ATOM 40 OG SER A 4 8.523 -35.761 24.462 1.00 62.12 O ATOM 0 H SER A 4 8.106 -35.386 21.608 1.00 63.22 H new ATOM 0 HA SER A 4 6.475 -33.997 23.653 1.00 4.23 H new ATOM 0 HB2 SER A 4 9.503 -34.165 23.608 1.00 22.44 H new ATOM 0 HB3 SER A 4 8.456 -33.763 24.955 1.00 22.44 H new ATOM 0 HG SER A 4 9.260 -35.936 25.084 1.00 62.12 H new ATOM 46 N HIS A 5 7.006 -32.549 21.266 1.00 53.44 N ATOM 47 CA HIS A 5 7.173 -31.322 20.494 1.00 71.33 C ATOM 48 C HIS A 5 5.821 -30.682 20.192 1.00 44.30 C ATOM 49 O HIS A 5 5.058 -31.179 19.363 1.00 4.10 O ATOM 50 CB HIS A 5 7.915 -31.613 19.189 1.00 22.00 C ATOM 51 CG HIS A 5 9.359 -31.215 19.220 1.00 72.41 C ATOM 52 ND1 HIS A 5 10.326 -31.942 19.882 1.00 73.43 N ATOM 53 CD2 HIS A 5 9.999 -30.160 18.664 1.00 75.11 C ATOM 54 CE1 HIS A 5 11.497 -31.351 19.733 1.00 43.50 C ATOM 55 NE2 HIS A 5 11.326 -30.267 18.998 1.00 43.25 N ATOM 0 H HIS A 5 6.339 -33.210 20.868 1.00 53.44 H new ATOM 0 HA HIS A 5 7.761 -30.624 21.090 1.00 71.33 H new ATOM 0 HB2 HIS A 5 7.845 -32.679 18.970 1.00 22.00 H new ATOM 0 HB3 HIS A 5 7.419 -31.087 18.373 1.00 22.00 H new ATOM 0 HD2 HIS A 5 9.549 -29.379 18.068 1.00 75.11 H new ATOM 0 HE1 HIS A 5 12.435 -31.695 20.142 1.00 43.50 H new ATOM 0 HE2 HIS A 5 12.061 -29.615 18.723 1.00 43.25 H new ATOM 63 N HIS A 6 5.531 -29.576 20.871 1.00 61.23 N ATOM 64 CA HIS A 6 4.271 -28.868 20.675 1.00 2.32 C ATOM 65 C HIS A 6 4.510 -27.370 20.506 1.00 25.43 C ATOM 66 O HIS A 6 5.491 -26.827 21.016 1.00 51.43 O ATOM 67 CB HIS A 6 3.333 -29.116 21.857 1.00 64.11 C ATOM 68 CG HIS A 6 1.884 -29.120 21.481 1.00 73.14 C ATOM 69 ND1 HIS A 6 0.954 -28.280 22.057 1.00 63.12 N ATOM 70 CD2 HIS A 6 1.205 -29.867 20.579 1.00 62.42 C ATOM 71 CE1 HIS A 6 -0.233 -28.512 21.527 1.00 54.31 C ATOM 72 NE2 HIS A 6 -0.108 -29.470 20.627 1.00 74.31 N ATOM 0 H HIS A 6 6.151 -29.151 21.561 1.00 61.23 H new ATOM 0 HA HIS A 6 3.806 -29.249 19.766 1.00 2.32 H new ATOM 0 HB2 HIS A 6 3.584 -30.073 22.315 1.00 64.11 H new ATOM 0 HB3 HIS A 6 3.502 -28.348 22.612 1.00 64.11 H new ATOM 0 HD2 HIS A 6 1.619 -30.633 19.940 1.00 62.42 H new ATOM 0 HE1 HIS A 6 -1.150 -28.004 21.786 1.00 54.31 H new ATOM 0 HE2 HIS A 6 -0.864 -29.853 20.060 1.00 74.31 H new ATOM 80 N HIS A 7 3.609 -26.709 19.787 1.00 32.33 N ATOM 81 CA HIS A 7 3.722 -25.274 19.551 1.00 21.41 C ATOM 82 C HIS A 7 5.044 -24.939 18.866 1.00 75.32 C ATOM 83 O HIS A 7 6.054 -24.697 19.527 1.00 32.32 O ATOM 84 CB HIS A 7 3.609 -24.509 20.870 1.00 45.44 C ATOM 85 CG HIS A 7 3.160 -23.090 20.702 1.00 53.12 C ATOM 86 ND1 HIS A 7 1.910 -22.747 20.231 1.00 34.33 N ATOM 87 CD2 HIS A 7 3.801 -21.923 20.946 1.00 33.14 C ATOM 88 CE1 HIS A 7 1.802 -21.431 20.192 1.00 32.31 C ATOM 89 NE2 HIS A 7 2.936 -20.907 20.621 1.00 33.35 N ATOM 0 H HIS A 7 2.792 -27.144 19.358 1.00 32.33 H new ATOM 0 HA HIS A 7 2.906 -24.973 18.894 1.00 21.41 H new ATOM 0 HB2 HIS A 7 2.908 -25.029 21.523 1.00 45.44 H new ATOM 0 HB3 HIS A 7 4.577 -24.518 21.370 1.00 45.44 H new ATOM 0 HD2 HIS A 7 4.806 -21.812 21.326 1.00 33.14 H new ATOM 0 HE1 HIS A 7 0.934 -20.878 19.865 1.00 32.31 H new ATOM 0 HE2 HIS A 7 3.137 -19.910 20.698 1.00 33.35 H new ATOM 97 N HIS A 8 5.029 -24.928 17.537 1.00 42.23 N ATOM 98 CA HIS A 8 6.227 -24.623 16.762 1.00 54.42 C ATOM 99 C HIS A 8 6.172 -23.199 16.215 1.00 31.21 C ATOM 100 O HIS A 8 5.104 -22.702 15.854 1.00 24.52 O ATOM 101 CB HIS A 8 6.383 -25.618 15.611 1.00 14.44 C ATOM 102 CG HIS A 8 7.806 -25.842 15.202 1.00 12.40 C ATOM 103 ND1 HIS A 8 8.840 -25.956 16.107 1.00 60.22 N ATOM 104 CD2 HIS A 8 8.364 -25.974 13.976 1.00 0.20 C ATOM 105 CE1 HIS A 8 9.973 -26.148 15.455 1.00 1.41 C ATOM 106 NE2 HIS A 8 9.712 -26.163 14.160 1.00 14.25 N ATOM 0 H HIS A 8 4.202 -25.126 16.974 1.00 42.23 H new ATOM 0 HA HIS A 8 7.089 -24.707 17.424 1.00 54.42 H new ATOM 0 HB2 HIS A 8 5.943 -26.571 15.904 1.00 14.44 H new ATOM 0 HB3 HIS A 8 5.819 -25.257 14.751 1.00 14.44 H new ATOM 0 HD2 HIS A 8 7.846 -25.938 13.029 1.00 0.20 H new ATOM 0 HE1 HIS A 8 10.947 -26.272 15.904 1.00 1.41 H new ATOM 0 HE2 HIS A 8 10.399 -26.294 13.418 1.00 14.25 H new ATOM 114 N HIS A 9 7.329 -22.548 16.158 1.00 41.44 N ATOM 115 CA HIS A 9 7.413 -21.181 15.655 1.00 14.21 C ATOM 116 C HIS A 9 7.507 -21.167 14.132 1.00 1.33 C ATOM 117 O HIS A 9 6.946 -20.291 13.473 1.00 0.44 O ATOM 118 CB HIS A 9 8.621 -20.466 16.259 1.00 5.23 C ATOM 119 CG HIS A 9 8.257 -19.296 17.120 1.00 53.52 C ATOM 120 ND1 HIS A 9 7.972 -19.410 18.464 1.00 4.53 N ATOM 121 CD2 HIS A 9 8.132 -17.981 16.821 1.00 63.34 C ATOM 122 CE1 HIS A 9 7.687 -18.216 18.954 1.00 22.44 C ATOM 123 NE2 HIS A 9 7.778 -17.332 17.977 1.00 34.15 N ATOM 0 H HIS A 9 8.221 -22.944 16.454 1.00 41.44 H new ATOM 0 HA HIS A 9 6.505 -20.655 15.950 1.00 14.21 H new ATOM 0 HB2 HIS A 9 9.195 -21.178 16.852 1.00 5.23 H new ATOM 0 HB3 HIS A 9 9.271 -20.125 15.453 1.00 5.23 H new ATOM 0 HD2 HIS A 9 8.283 -17.527 15.853 1.00 63.34 H new ATOM 0 HE1 HIS A 9 7.424 -18.000 19.979 1.00 22.44 H new ATOM 0 HE2 HIS A 9 7.612 -16.330 18.067 1.00 34.15 H new ATOM 131 N HIS A 10 8.221 -22.142 13.579 1.00 31.23 N ATOM 132 CA HIS A 10 8.389 -22.242 12.134 1.00 51.41 C ATOM 133 C HIS A 10 8.973 -20.952 11.565 1.00 64.21 C ATOM 134 O HIS A 10 8.289 -20.202 10.871 1.00 53.11 O ATOM 135 CB HIS A 10 7.049 -22.547 11.463 1.00 23.53 C ATOM 136 CG HIS A 10 7.186 -23.219 10.131 1.00 13.43 C ATOM 137 ND1 HIS A 10 7.321 -22.523 8.948 1.00 14.04 N ATOM 138 CD2 HIS A 10 7.209 -24.531 9.799 1.00 3.43 C ATOM 139 CE1 HIS A 10 7.419 -23.378 7.946 1.00 24.02 C ATOM 140 NE2 HIS A 10 7.355 -24.603 8.436 1.00 62.12 N ATOM 0 H HIS A 10 8.693 -22.874 14.110 1.00 31.23 H new ATOM 0 HA HIS A 10 9.083 -23.057 11.929 1.00 51.41 H new ATOM 0 HB2 HIS A 10 6.458 -23.183 12.122 1.00 23.53 H new ATOM 0 HB3 HIS A 10 6.495 -21.617 11.336 1.00 23.53 H new ATOM 0 HD2 HIS A 10 7.128 -25.366 10.480 1.00 3.43 H new ATOM 0 HE1 HIS A 10 7.532 -23.120 6.904 1.00 24.02 H new ATOM 0 HE2 HIS A 10 7.406 -25.463 7.890 1.00 62.12 H new ATOM 148 N GLY A 11 10.244 -20.701 11.865 1.00 62.11 N ATOM 149 CA GLY A 11 10.899 -19.502 11.376 1.00 13.52 C ATOM 150 C GLY A 11 11.561 -19.710 10.029 1.00 70.42 C ATOM 151 O GLY A 11 10.931 -19.536 8.986 1.00 53.00 O ATOM 0 H GLY A 11 10.831 -21.307 12.438 1.00 62.11 H new ATOM 0 HA2 GLY A 11 10.167 -18.699 11.297 1.00 13.52 H new ATOM 0 HA3 GLY A 11 11.648 -19.180 12.100 1.00 13.52 H new ATOM 155 N SER A 12 12.837 -20.084 10.050 1.00 55.44 N ATOM 156 CA SER A 12 13.587 -20.311 8.820 1.00 74.00 C ATOM 157 C SER A 12 13.388 -21.738 8.319 1.00 61.33 C ATOM 158 O SER A 12 12.817 -22.578 9.014 1.00 50.12 O ATOM 159 CB SER A 12 15.075 -20.041 9.048 1.00 1.12 C ATOM 160 OG SER A 12 15.426 -18.732 8.632 1.00 34.42 O ATOM 0 H SER A 12 13.372 -20.236 10.905 1.00 55.44 H new ATOM 0 HA SER A 12 13.213 -19.623 8.062 1.00 74.00 H new ATOM 0 HB2 SER A 12 15.313 -20.166 10.104 1.00 1.12 H new ATOM 0 HB3 SER A 12 15.669 -20.772 8.499 1.00 1.12 H new ATOM 0 HG SER A 12 16.382 -18.584 8.790 1.00 34.42 H new ATOM 166 N MET A 13 13.864 -22.005 7.107 1.00 43.42 N ATOM 167 CA MET A 13 13.741 -23.330 6.512 1.00 74.31 C ATOM 168 C MET A 13 14.696 -23.489 5.334 1.00 45.22 C ATOM 169 O MET A 13 15.259 -22.510 4.843 1.00 62.30 O ATOM 170 CB MET A 13 12.302 -23.574 6.053 1.00 72.43 C ATOM 171 CG MET A 13 11.742 -22.457 5.187 1.00 22.04 C ATOM 172 SD MET A 13 10.054 -22.779 4.643 1.00 72.52 S ATOM 173 CE MET A 13 10.203 -22.480 2.883 1.00 14.22 C ATOM 0 H MET A 13 14.339 -21.321 6.518 1.00 43.42 H new ATOM 0 HA MET A 13 14.004 -24.067 7.271 1.00 74.31 H new ATOM 0 HB2 MET A 13 12.261 -24.510 5.496 1.00 72.43 H new ATOM 0 HB3 MET A 13 11.666 -23.697 6.929 1.00 72.43 H new ATOM 0 HG2 MET A 13 11.767 -21.522 5.746 1.00 22.04 H new ATOM 0 HG3 MET A 13 12.382 -22.324 4.314 1.00 22.04 H new ATOM 0 HE1 MET A 13 9.237 -22.639 2.404 1.00 14.22 H new ATOM 0 HE2 MET A 13 10.527 -21.453 2.715 1.00 14.22 H new ATOM 0 HE3 MET A 13 10.936 -23.166 2.458 1.00 14.22 H new ATOM 183 N SER A 14 14.875 -24.727 4.885 1.00 25.22 N ATOM 184 CA SER A 14 15.767 -25.014 3.767 1.00 13.22 C ATOM 185 C SER A 14 14.976 -25.476 2.547 1.00 42.32 C ATOM 186 O SER A 14 14.807 -24.728 1.585 1.00 43.44 O ATOM 187 CB SER A 14 16.787 -26.083 4.162 1.00 5.32 C ATOM 188 OG SER A 14 16.153 -27.194 4.772 1.00 53.45 O ATOM 0 H SER A 14 14.414 -25.548 5.278 1.00 25.22 H new ATOM 0 HA SER A 14 16.295 -24.096 3.510 1.00 13.22 H new ATOM 0 HB2 SER A 14 17.333 -26.413 3.278 1.00 5.32 H new ATOM 0 HB3 SER A 14 17.518 -25.656 4.848 1.00 5.32 H new ATOM 0 HG SER A 14 16.540 -27.345 5.660 1.00 53.45 H new ATOM 194 N GLU A 15 14.494 -26.714 2.595 1.00 4.34 N ATOM 195 CA GLU A 15 13.722 -27.276 1.494 1.00 64.14 C ATOM 196 C GLU A 15 12.301 -27.608 1.939 1.00 61.21 C ATOM 197 O GLU A 15 11.876 -27.229 3.031 1.00 44.35 O ATOM 198 CB GLU A 15 14.406 -28.533 0.952 1.00 31.52 C ATOM 199 CG GLU A 15 14.559 -28.540 -0.559 1.00 44.25 C ATOM 200 CD GLU A 15 15.582 -27.532 -1.046 1.00 42.23 C ATOM 201 OE1 GLU A 15 15.348 -26.915 -2.107 1.00 1.13 O ATOM 202 OE2 GLU A 15 16.616 -27.360 -0.368 1.00 23.02 O ATOM 0 H GLU A 15 14.625 -27.346 3.385 1.00 4.34 H new ATOM 0 HA GLU A 15 13.670 -26.529 0.702 1.00 64.14 H new ATOM 0 HB2 GLU A 15 15.391 -28.626 1.409 1.00 31.52 H new ATOM 0 HB3 GLU A 15 13.831 -29.408 1.254 1.00 31.52 H new ATOM 0 HG2 GLU A 15 14.853 -29.537 -0.886 1.00 44.25 H new ATOM 0 HG3 GLU A 15 13.595 -28.325 -1.019 1.00 44.25 H new ATOM 209 N TYR A 16 11.571 -28.318 1.086 1.00 22.41 N ATOM 210 CA TYR A 16 10.197 -28.699 1.389 1.00 31.53 C ATOM 211 C TYR A 16 9.944 -30.160 1.028 1.00 41.12 C ATOM 212 O TYR A 16 10.843 -30.860 0.560 1.00 1.42 O ATOM 213 CB TYR A 16 9.217 -27.799 0.635 1.00 44.13 C ATOM 214 CG TYR A 16 9.650 -27.485 -0.780 1.00 3.45 C ATOM 215 CD1 TYR A 16 9.481 -28.411 -1.801 1.00 33.52 C ATOM 216 CD2 TYR A 16 10.230 -26.262 -1.094 1.00 54.34 C ATOM 217 CE1 TYR A 16 9.875 -28.129 -3.094 1.00 63.24 C ATOM 218 CE2 TYR A 16 10.626 -25.970 -2.385 1.00 73.33 C ATOM 219 CZ TYR A 16 10.447 -26.907 -3.382 1.00 33.14 C ATOM 220 OH TYR A 16 10.841 -26.621 -4.669 1.00 23.25 O ATOM 0 H TYR A 16 11.908 -28.641 0.179 1.00 22.41 H new ATOM 0 HA TYR A 16 10.041 -28.576 2.461 1.00 31.53 H new ATOM 0 HB2 TYR A 16 8.240 -28.282 0.609 1.00 44.13 H new ATOM 0 HB3 TYR A 16 9.097 -26.866 1.185 1.00 44.13 H new ATOM 0 HD1 TYR A 16 9.033 -29.369 -1.580 1.00 33.52 H new ATOM 0 HD2 TYR A 16 10.374 -25.527 -0.316 1.00 54.34 H new ATOM 0 HE1 TYR A 16 9.736 -28.861 -3.876 1.00 63.24 H new ATOM 0 HE2 TYR A 16 11.073 -25.014 -2.613 1.00 73.33 H new ATOM 0 HH TYR A 16 11.223 -25.719 -4.701 1.00 23.25 H new ATOM 230 N ILE A 17 8.714 -30.613 1.247 1.00 4.45 N ATOM 231 CA ILE A 17 8.342 -31.989 0.944 1.00 53.44 C ATOM 232 C ILE A 17 7.216 -32.039 -0.084 1.00 31.24 C ATOM 233 O ILE A 17 6.148 -31.463 0.122 1.00 12.21 O ATOM 234 CB ILE A 17 7.900 -32.745 2.210 1.00 20.04 C ATOM 235 CG1 ILE A 17 7.312 -34.108 1.838 1.00 2.32 C ATOM 236 CG2 ILE A 17 6.888 -31.922 2.993 1.00 3.42 C ATOM 237 CD1 ILE A 17 6.985 -34.972 3.036 1.00 73.04 C ATOM 0 H ILE A 17 7.958 -30.047 1.633 1.00 4.45 H new ATOM 0 HA ILE A 17 9.228 -32.473 0.534 1.00 53.44 H new ATOM 0 HB ILE A 17 8.774 -32.907 2.841 1.00 20.04 H new ATOM 0 HG12 ILE A 17 6.406 -33.956 1.252 1.00 2.32 H new ATOM 0 HG13 ILE A 17 8.019 -34.638 1.200 1.00 2.32 H new ATOM 0 HG21 ILE A 17 6.585 -32.470 3.885 1.00 3.42 H new ATOM 0 HG22 ILE A 17 7.339 -30.974 3.285 1.00 3.42 H new ATOM 0 HG23 ILE A 17 6.014 -31.732 2.370 1.00 3.42 H new ATOM 0 HD11 ILE A 17 6.572 -35.922 2.697 1.00 73.04 H new ATOM 0 HD12 ILE A 17 7.893 -35.155 3.611 1.00 73.04 H new ATOM 0 HD13 ILE A 17 6.254 -34.462 3.664 1.00 73.04 H new ATOM 249 N ARG A 18 7.462 -32.734 -1.189 1.00 61.24 N ATOM 250 CA ARG A 18 6.469 -32.861 -2.249 1.00 71.01 C ATOM 251 C ARG A 18 5.996 -34.306 -2.381 1.00 13.34 C ATOM 252 O ARG A 18 6.710 -35.158 -2.908 1.00 20.50 O ATOM 253 CB ARG A 18 7.048 -32.380 -3.581 1.00 2.44 C ATOM 254 CG ARG A 18 6.495 -31.039 -4.036 1.00 70.45 C ATOM 255 CD ARG A 18 6.176 -31.045 -5.523 1.00 42.03 C ATOM 256 NE ARG A 18 7.286 -30.532 -6.323 1.00 34.41 N ATOM 257 CZ ARG A 18 7.202 -30.292 -7.627 1.00 1.54 C ATOM 258 NH1 ARG A 18 6.067 -30.515 -8.274 1.00 70.21 N ATOM 259 NH2 ARG A 18 8.256 -29.825 -8.285 1.00 75.42 N ATOM 0 H ARG A 18 8.341 -33.218 -1.374 1.00 61.24 H new ATOM 0 HA ARG A 18 5.614 -32.239 -1.986 1.00 71.01 H new ATOM 0 HB2 ARG A 18 8.132 -32.305 -3.491 1.00 2.44 H new ATOM 0 HB3 ARG A 18 6.843 -33.127 -4.348 1.00 2.44 H new ATOM 0 HG2 ARG A 18 5.593 -30.805 -3.470 1.00 70.45 H new ATOM 0 HG3 ARG A 18 7.219 -30.253 -3.821 1.00 70.45 H new ATOM 0 HD2 ARG A 18 5.941 -32.061 -5.839 1.00 42.03 H new ATOM 0 HD3 ARG A 18 5.288 -30.440 -5.706 1.00 42.03 H new ATOM 0 HE ARG A 18 8.173 -30.348 -5.855 1.00 34.41 H new ATOM 0 HH11 ARG A 18 5.255 -30.872 -7.771 1.00 70.21 H new ATOM 0 HH12 ARG A 18 6.006 -30.330 -9.275 1.00 70.21 H new ATOM 0 HH21 ARG A 18 9.130 -29.650 -7.789 1.00 75.42 H new ATOM 0 HH22 ARG A 18 8.192 -29.641 -9.286 1.00 75.42 H new ATOM 273 N VAL A 19 4.787 -34.574 -1.897 1.00 12.51 N ATOM 274 CA VAL A 19 4.218 -35.914 -1.961 1.00 33.33 C ATOM 275 C VAL A 19 2.699 -35.861 -2.080 1.00 33.43 C ATOM 276 O VAL A 19 2.066 -34.887 -1.670 1.00 73.55 O ATOM 277 CB VAL A 19 4.596 -36.744 -0.720 1.00 31.25 C ATOM 278 CG1 VAL A 19 6.030 -37.240 -0.825 1.00 72.54 C ATOM 279 CG2 VAL A 19 4.398 -35.927 0.548 1.00 42.40 C ATOM 0 H VAL A 19 4.183 -33.880 -1.456 1.00 12.51 H new ATOM 0 HA VAL A 19 4.633 -36.392 -2.849 1.00 33.33 H new ATOM 0 HB VAL A 19 3.939 -37.612 -0.672 1.00 31.25 H new ATOM 0 HG11 VAL A 19 6.279 -37.824 0.061 1.00 72.54 H new ATOM 0 HG12 VAL A 19 6.135 -37.864 -1.713 1.00 72.54 H new ATOM 0 HG13 VAL A 19 6.705 -36.388 -0.899 1.00 72.54 H new ATOM 0 HG21 VAL A 19 4.670 -36.529 1.415 1.00 42.40 H new ATOM 0 HG22 VAL A 19 5.029 -35.039 0.511 1.00 42.40 H new ATOM 0 HG23 VAL A 19 3.353 -35.627 0.628 1.00 42.40 H new ATOM 289 N THR A 20 2.117 -36.916 -2.643 1.00 25.32 N ATOM 290 CA THR A 20 0.672 -36.991 -2.817 1.00 4.44 C ATOM 291 C THR A 20 0.104 -38.245 -2.164 1.00 71.41 C ATOM 292 O THR A 20 0.767 -39.281 -2.107 1.00 52.53 O ATOM 293 CB THR A 20 0.285 -36.980 -4.307 1.00 73.23 C ATOM 294 OG1 THR A 20 -1.046 -37.484 -4.471 1.00 1.51 O ATOM 295 CG2 THR A 20 1.254 -37.821 -5.125 1.00 3.55 C ATOM 0 H THR A 20 2.625 -37.731 -2.986 1.00 25.32 H new ATOM 0 HA THR A 20 0.249 -36.111 -2.333 1.00 4.44 H new ATOM 0 HB THR A 20 0.331 -35.951 -4.663 1.00 73.23 H new ATOM 0 HG1 THR A 20 -1.062 -38.132 -5.206 1.00 1.51 H new ATOM 0 HG21 THR A 20 0.960 -37.798 -6.174 1.00 3.55 H new ATOM 0 HG22 THR A 20 2.262 -37.419 -5.022 1.00 3.55 H new ATOM 0 HG23 THR A 20 1.236 -38.850 -4.766 1.00 3.55 H new ATOM 303 N GLU A 21 -1.128 -38.146 -1.674 1.00 3.25 N ATOM 304 CA GLU A 21 -1.784 -39.275 -1.025 1.00 14.53 C ATOM 305 C GLU A 21 -2.274 -40.286 -2.057 1.00 65.31 C ATOM 306 O GLU A 21 -2.074 -41.491 -1.904 1.00 34.43 O ATOM 307 CB GLU A 21 -2.960 -38.789 -0.174 1.00 24.03 C ATOM 308 CG GLU A 21 -3.371 -39.769 0.912 1.00 23.21 C ATOM 309 CD GLU A 21 -4.836 -40.151 0.829 1.00 62.20 C ATOM 310 OE1 GLU A 21 -5.161 -41.320 1.126 1.00 13.35 O ATOM 311 OE2 GLU A 21 -5.656 -39.283 0.466 1.00 14.34 O ATOM 0 H GLU A 21 -1.691 -37.297 -1.714 1.00 3.25 H new ATOM 0 HA GLU A 21 -1.054 -39.764 -0.380 1.00 14.53 H new ATOM 0 HB2 GLU A 21 -2.695 -37.838 0.288 1.00 24.03 H new ATOM 0 HB3 GLU A 21 -3.814 -38.600 -0.824 1.00 24.03 H new ATOM 0 HG2 GLU A 21 -2.760 -40.668 0.835 1.00 23.21 H new ATOM 0 HG3 GLU A 21 -3.169 -39.329 1.889 1.00 23.21 H new ATOM 318 N ASP A 22 -2.915 -39.787 -3.108 1.00 22.10 N ATOM 319 CA ASP A 22 -3.433 -40.646 -4.167 1.00 25.14 C ATOM 320 C ASP A 22 -2.543 -40.580 -5.404 1.00 40.31 C ATOM 321 O ASP A 22 -2.005 -39.524 -5.737 1.00 22.32 O ATOM 322 CB ASP A 22 -4.862 -40.240 -4.529 1.00 31.35 C ATOM 323 CG ASP A 22 -5.874 -40.705 -3.499 1.00 42.43 C ATOM 324 OD1 ASP A 22 -6.688 -39.871 -3.049 1.00 60.11 O ATOM 325 OD2 ASP A 22 -5.852 -41.902 -3.145 1.00 11.43 O ATOM 0 H ASP A 22 -3.089 -38.792 -3.250 1.00 22.10 H new ATOM 0 HA ASP A 22 -3.438 -41.672 -3.799 1.00 25.14 H new ATOM 0 HB2 ASP A 22 -4.916 -39.155 -4.623 1.00 31.35 H new ATOM 0 HB3 ASP A 22 -5.120 -40.658 -5.502 1.00 31.35 H new ATOM 330 N GLU A 23 -2.393 -41.714 -6.081 1.00 21.25 N ATOM 331 CA GLU A 23 -1.567 -41.784 -7.280 1.00 63.10 C ATOM 332 C GLU A 23 -2.135 -40.897 -8.384 1.00 62.44 C ATOM 333 O GLU A 23 -1.390 -40.314 -9.171 1.00 73.21 O ATOM 334 CB GLU A 23 -1.465 -43.229 -7.773 1.00 20.13 C ATOM 335 CG GLU A 23 -2.781 -43.792 -8.284 1.00 4.12 C ATOM 336 CD GLU A 23 -2.823 -45.307 -8.241 1.00 22.11 C ATOM 337 OE1 GLU A 23 -3.666 -45.856 -7.501 1.00 12.32 O ATOM 338 OE2 GLU A 23 -2.013 -45.944 -8.947 1.00 32.05 O ATOM 0 H GLU A 23 -2.833 -42.596 -5.819 1.00 21.25 H new ATOM 0 HA GLU A 23 -0.570 -41.424 -7.025 1.00 63.10 H new ATOM 0 HB2 GLU A 23 -0.723 -43.281 -8.570 1.00 20.13 H new ATOM 0 HB3 GLU A 23 -1.102 -43.857 -6.959 1.00 20.13 H new ATOM 0 HG2 GLU A 23 -3.600 -43.392 -7.685 1.00 4.12 H new ATOM 0 HG3 GLU A 23 -2.942 -43.457 -9.309 1.00 4.12 H new ATOM 345 N ASN A 24 -3.460 -40.802 -8.436 1.00 25.11 N ATOM 346 CA ASN A 24 -4.129 -39.988 -9.444 1.00 44.01 C ATOM 347 C ASN A 24 -4.012 -38.504 -9.110 1.00 12.12 C ATOM 348 O ASN A 24 -4.031 -37.653 -10.000 1.00 23.33 O ATOM 349 CB ASN A 24 -5.603 -40.384 -9.553 1.00 45.42 C ATOM 350 CG ASN A 24 -5.861 -41.341 -10.701 1.00 2.14 C ATOM 351 OD1 ASN A 24 -6.072 -40.921 -11.838 1.00 54.04 O ATOM 352 ND2 ASN A 24 -5.845 -42.636 -10.406 1.00 2.42 N ATOM 0 H ASN A 24 -4.091 -41.279 -7.792 1.00 25.11 H new ATOM 0 HA ASN A 24 -3.640 -40.166 -10.402 1.00 44.01 H new ATOM 0 HB2 ASN A 24 -5.922 -40.847 -8.619 1.00 45.42 H new ATOM 0 HB3 ASN A 24 -6.208 -39.488 -9.688 1.00 45.42 H new ATOM 0 HD21 ASN A 24 -6.012 -43.328 -11.137 1.00 2.42 H new ATOM 0 HD22 ASN A 24 -5.666 -42.939 -9.449 1.00 2.42 H new ATOM 359 N ASP A 25 -3.892 -38.201 -7.822 1.00 62.10 N ATOM 360 CA ASP A 25 -3.770 -36.820 -7.369 1.00 75.15 C ATOM 361 C ASP A 25 -2.363 -36.287 -7.621 1.00 32.52 C ATOM 362 O ASP A 25 -1.395 -37.047 -7.634 1.00 35.33 O ATOM 363 CB ASP A 25 -4.110 -36.717 -5.882 1.00 12.32 C ATOM 364 CG ASP A 25 -3.861 -35.328 -5.326 1.00 61.50 C ATOM 365 OD1 ASP A 25 -3.107 -35.211 -4.337 1.00 31.51 O ATOM 366 OD2 ASP A 25 -4.419 -34.359 -5.881 1.00 3.23 O ATOM 0 H ASP A 25 -3.877 -38.893 -7.073 1.00 62.10 H new ATOM 0 HA ASP A 25 -4.475 -36.214 -7.937 1.00 75.15 H new ATOM 0 HB2 ASP A 25 -5.156 -36.983 -5.732 1.00 12.32 H new ATOM 0 HB3 ASP A 25 -3.514 -37.440 -5.325 1.00 12.32 H new ATOM 371 N GLU A 26 -2.259 -34.977 -7.821 1.00 23.40 N ATOM 372 CA GLU A 26 -0.970 -34.344 -8.074 1.00 24.51 C ATOM 373 C GLU A 26 -0.153 -34.241 -6.789 1.00 62.11 C ATOM 374 O GLU A 26 -0.692 -34.191 -5.683 1.00 42.13 O ATOM 375 CB GLU A 26 -1.169 -32.953 -8.678 1.00 14.35 C ATOM 376 CG GLU A 26 -1.811 -32.973 -10.055 1.00 22.02 C ATOM 377 CD GLU A 26 -2.675 -31.754 -10.314 1.00 33.42 C ATOM 378 OE1 GLU A 26 -2.123 -30.714 -10.729 1.00 13.33 O ATOM 379 OE2 GLU A 26 -3.903 -31.841 -10.101 1.00 43.15 O ATOM 0 H GLU A 26 -3.051 -34.334 -7.813 1.00 23.40 H new ATOM 0 HA GLU A 26 -0.423 -34.965 -8.783 1.00 24.51 H new ATOM 0 HB2 GLU A 26 -1.789 -32.360 -8.006 1.00 14.35 H new ATOM 0 HB3 GLU A 26 -0.203 -32.453 -8.744 1.00 14.35 H new ATOM 0 HG2 GLU A 26 -1.031 -33.029 -10.814 1.00 22.02 H new ATOM 0 HG3 GLU A 26 -2.419 -33.872 -10.155 1.00 22.02 H new ATOM 386 N PRO A 27 1.180 -34.209 -6.937 1.00 30.23 N ATOM 387 CA PRO A 27 2.100 -34.112 -5.800 1.00 3.32 C ATOM 388 C PRO A 27 2.044 -32.746 -5.124 1.00 42.00 C ATOM 389 O PRO A 27 2.568 -31.762 -5.647 1.00 62.25 O ATOM 390 CB PRO A 27 3.474 -34.338 -6.435 1.00 43.24 C ATOM 391 CG PRO A 27 3.308 -33.921 -7.856 1.00 72.40 C ATOM 392 CD PRO A 27 1.891 -34.265 -8.225 1.00 21.21 C ATOM 0 HA PRO A 27 1.855 -34.828 -5.015 1.00 3.32 H new ATOM 0 HB2 PRO A 27 4.243 -33.747 -5.936 1.00 43.24 H new ATOM 0 HB3 PRO A 27 3.777 -35.382 -6.362 1.00 43.24 H new ATOM 0 HG2 PRO A 27 3.494 -32.853 -7.974 1.00 72.40 H new ATOM 0 HG3 PRO A 27 4.017 -34.441 -8.501 1.00 72.40 H new ATOM 0 HD2 PRO A 27 1.479 -33.555 -8.943 1.00 21.21 H new ATOM 0 HD3 PRO A 27 1.823 -35.254 -8.679 1.00 21.21 H new ATOM 400 N ILE A 28 1.407 -32.693 -3.960 1.00 15.05 N ATOM 401 CA ILE A 28 1.284 -31.448 -3.212 1.00 41.52 C ATOM 402 C ILE A 28 2.567 -31.136 -2.449 1.00 31.22 C ATOM 403 O ILE A 28 3.209 -32.033 -1.904 1.00 64.22 O ATOM 404 CB ILE A 28 0.109 -31.501 -2.218 1.00 53.55 C ATOM 405 CG1 ILE A 28 -0.016 -30.171 -1.472 1.00 35.05 C ATOM 406 CG2 ILE A 28 0.295 -32.649 -1.239 1.00 31.34 C ATOM 407 CD1 ILE A 28 -0.335 -28.999 -2.373 1.00 60.02 C ATOM 0 H ILE A 28 0.968 -33.498 -3.514 1.00 15.05 H new ATOM 0 HA ILE A 28 1.096 -30.660 -3.941 1.00 41.52 H new ATOM 0 HB ILE A 28 -0.812 -31.671 -2.775 1.00 53.55 H new ATOM 0 HG12 ILE A 28 -0.796 -30.260 -0.716 1.00 35.05 H new ATOM 0 HG13 ILE A 28 0.917 -29.970 -0.945 1.00 35.05 H new ATOM 0 HG21 ILE A 28 -0.544 -32.673 -0.543 1.00 31.34 H new ATOM 0 HG22 ILE A 28 0.339 -33.590 -1.786 1.00 31.34 H new ATOM 0 HG23 ILE A 28 1.223 -32.508 -0.685 1.00 31.34 H new ATOM 0 HD11 ILE A 28 -0.409 -28.090 -1.776 1.00 60.02 H new ATOM 0 HD12 ILE A 28 0.456 -28.883 -3.113 1.00 60.02 H new ATOM 0 HD13 ILE A 28 -1.283 -29.178 -2.880 1.00 60.02 H new ATOM 419 N GLU A 29 2.932 -29.858 -2.412 1.00 62.54 N ATOM 420 CA GLU A 29 4.138 -29.429 -1.714 1.00 62.13 C ATOM 421 C GLU A 29 3.789 -28.749 -0.394 1.00 3.43 C ATOM 422 O GLU A 29 2.894 -27.905 -0.336 1.00 32.44 O ATOM 423 CB GLU A 29 4.951 -28.476 -2.593 1.00 12.41 C ATOM 424 CG GLU A 29 4.332 -27.094 -2.726 1.00 23.13 C ATOM 425 CD GLU A 29 5.105 -26.198 -3.674 1.00 12.32 C ATOM 426 OE1 GLU A 29 6.351 -26.178 -3.588 1.00 33.21 O ATOM 427 OE2 GLU A 29 4.464 -25.516 -4.501 1.00 4.22 O ATOM 0 H GLU A 29 2.410 -29.103 -2.857 1.00 62.54 H new ATOM 0 HA GLU A 29 4.738 -30.314 -1.499 1.00 62.13 H new ATOM 0 HB2 GLU A 29 5.954 -28.377 -2.177 1.00 12.41 H new ATOM 0 HB3 GLU A 29 5.059 -28.914 -3.585 1.00 12.41 H new ATOM 0 HG2 GLU A 29 3.306 -27.192 -3.080 1.00 23.13 H new ATOM 0 HG3 GLU A 29 4.287 -26.624 -1.744 1.00 23.13 H new ATOM 434 N ILE A 30 4.502 -29.122 0.664 1.00 43.44 N ATOM 435 CA ILE A 30 4.269 -28.547 1.983 1.00 72.51 C ATOM 436 C ILE A 30 5.561 -28.004 2.583 1.00 63.34 C ATOM 437 O ILE A 30 6.655 -28.506 2.322 1.00 71.03 O ATOM 438 CB ILE A 30 3.664 -29.583 2.949 1.00 73.44 C ATOM 439 CG1 ILE A 30 3.692 -30.978 2.319 1.00 42.42 C ATOM 440 CG2 ILE A 30 2.241 -29.193 3.320 1.00 30.24 C ATOM 441 CD1 ILE A 30 3.380 -32.089 3.297 1.00 53.35 C ATOM 0 H ILE A 30 5.245 -29.820 0.633 1.00 43.44 H new ATOM 0 HA ILE A 30 3.562 -27.729 1.850 1.00 72.51 H new ATOM 0 HB ILE A 30 4.264 -29.603 3.859 1.00 73.44 H new ATOM 0 HG12 ILE A 30 2.973 -31.013 1.501 1.00 42.42 H new ATOM 0 HG13 ILE A 30 4.677 -31.152 1.886 1.00 42.42 H new ATOM 0 HG21 ILE A 30 1.827 -29.935 4.003 1.00 30.24 H new ATOM 0 HG22 ILE A 30 2.246 -28.216 3.804 1.00 30.24 H new ATOM 0 HG23 ILE A 30 1.629 -29.148 2.419 1.00 30.24 H new ATOM 0 HD11 ILE A 30 3.418 -33.049 2.782 1.00 53.35 H new ATOM 0 HD12 ILE A 30 4.114 -32.081 4.103 1.00 53.35 H new ATOM 0 HD13 ILE A 30 2.383 -31.939 3.712 1.00 53.35 H new ATOM 453 N PRO A 31 5.435 -26.954 3.408 1.00 62.41 N ATOM 454 CA PRO A 31 6.583 -26.321 4.064 1.00 32.34 C ATOM 455 C PRO A 31 7.203 -27.213 5.135 1.00 51.12 C ATOM 456 O PRO A 31 6.563 -27.533 6.137 1.00 42.33 O ATOM 457 CB PRO A 31 5.980 -25.065 4.698 1.00 22.02 C ATOM 458 CG PRO A 31 4.542 -25.395 4.900 1.00 74.23 C ATOM 459 CD PRO A 31 4.163 -26.305 3.764 1.00 35.01 C ATOM 0 HA PRO A 31 7.391 -26.115 3.362 1.00 32.34 H new ATOM 0 HB2 PRO A 31 6.468 -24.826 5.643 1.00 22.02 H new ATOM 0 HB3 PRO A 31 6.100 -24.198 4.049 1.00 22.02 H new ATOM 0 HG2 PRO A 31 4.385 -25.884 5.861 1.00 74.23 H new ATOM 0 HG3 PRO A 31 3.930 -24.493 4.898 1.00 74.23 H new ATOM 0 HD2 PRO A 31 3.411 -27.034 4.067 1.00 35.01 H new ATOM 0 HD3 PRO A 31 3.747 -25.748 2.924 1.00 35.01 H new ATOM 467 N SER A 32 8.452 -27.611 4.916 1.00 2.22 N ATOM 468 CA SER A 32 9.158 -28.469 5.861 1.00 14.31 C ATOM 469 C SER A 32 10.049 -27.643 6.784 1.00 51.12 C ATOM 470 O SER A 32 10.047 -26.414 6.728 1.00 10.34 O ATOM 471 CB SER A 32 9.999 -29.504 5.112 1.00 3.25 C ATOM 472 OG SER A 32 11.295 -29.002 4.834 1.00 60.42 O ATOM 0 H SER A 32 8.996 -27.353 4.093 1.00 2.22 H new ATOM 0 HA SER A 32 8.416 -28.986 6.469 1.00 14.31 H new ATOM 0 HB2 SER A 32 10.078 -30.413 5.708 1.00 3.25 H new ATOM 0 HB3 SER A 32 9.503 -29.775 4.180 1.00 3.25 H new ATOM 0 HG SER A 32 11.225 -28.226 4.239 1.00 60.42 H new ATOM 478 N GLU A 33 10.809 -28.329 7.631 1.00 3.14 N ATOM 479 CA GLU A 33 11.705 -27.659 8.567 1.00 50.00 C ATOM 480 C GLU A 33 13.068 -27.407 7.929 1.00 2.13 C ATOM 481 O GLU A 33 13.367 -27.924 6.852 1.00 12.54 O ATOM 482 CB GLU A 33 11.871 -28.496 9.837 1.00 32.10 C ATOM 483 CG GLU A 33 11.782 -27.683 11.118 1.00 74.33 C ATOM 484 CD GLU A 33 11.931 -28.537 12.362 1.00 5.10 C ATOM 485 OE1 GLU A 33 12.217 -27.971 13.438 1.00 11.21 O ATOM 486 OE2 GLU A 33 11.764 -29.770 12.260 1.00 31.01 O ATOM 0 H GLU A 33 10.823 -29.347 7.689 1.00 3.14 H new ATOM 0 HA GLU A 33 11.262 -26.698 8.829 1.00 50.00 H new ATOM 0 HB2 GLU A 33 11.104 -29.271 9.854 1.00 32.10 H new ATOM 0 HB3 GLU A 33 12.835 -29.003 9.805 1.00 32.10 H new ATOM 0 HG2 GLU A 33 12.558 -26.917 11.113 1.00 74.33 H new ATOM 0 HG3 GLU A 33 10.823 -27.166 11.150 1.00 74.33 H new ATOM 493 N ASP A 34 13.891 -26.609 8.602 1.00 74.15 N ATOM 494 CA ASP A 34 15.223 -26.288 8.102 1.00 55.00 C ATOM 495 C ASP A 34 16.139 -27.505 8.176 1.00 31.34 C ATOM 496 O ASP A 34 16.990 -27.708 7.310 1.00 12.00 O ATOM 497 CB ASP A 34 15.825 -25.131 8.901 1.00 72.03 C ATOM 498 CG ASP A 34 16.250 -25.549 10.294 1.00 21.35 C ATOM 499 OD1 ASP A 34 17.460 -25.781 10.502 1.00 51.53 O ATOM 500 OD2 ASP A 34 15.373 -25.645 11.178 1.00 3.43 O ATOM 0 H ASP A 34 13.659 -26.173 9.494 1.00 74.15 H new ATOM 0 HA ASP A 34 15.130 -25.989 7.058 1.00 55.00 H new ATOM 0 HB2 ASP A 34 16.687 -24.733 8.365 1.00 72.03 H new ATOM 0 HB3 ASP A 34 15.095 -24.325 8.974 1.00 72.03 H new ATOM 505 N ASP A 35 15.960 -28.311 9.217 1.00 72.30 N ATOM 506 CA ASP A 35 16.770 -29.509 9.405 1.00 44.11 C ATOM 507 C ASP A 35 16.548 -30.500 8.267 1.00 50.13 C ATOM 508 O ASP A 35 17.375 -31.377 8.023 1.00 23.33 O ATOM 509 CB ASP A 35 16.440 -30.169 10.744 1.00 21.24 C ATOM 510 CG ASP A 35 17.625 -30.911 11.332 1.00 13.21 C ATOM 511 OD1 ASP A 35 18.484 -30.255 11.958 1.00 21.42 O ATOM 512 OD2 ASP A 35 17.692 -32.147 11.167 1.00 51.54 O ATOM 0 H ASP A 35 15.261 -28.156 9.944 1.00 72.30 H new ATOM 0 HA ASP A 35 17.819 -29.212 9.404 1.00 44.11 H new ATOM 0 HB2 ASP A 35 16.106 -29.407 11.449 1.00 21.24 H new ATOM 0 HB3 ASP A 35 15.611 -30.864 10.609 1.00 21.24 H new ATOM 517 N GLY A 36 15.423 -30.354 7.573 1.00 43.45 N ATOM 518 CA GLY A 36 15.112 -31.243 6.469 1.00 35.32 C ATOM 519 C GLY A 36 13.852 -32.051 6.714 1.00 42.34 C ATOM 520 O GLY A 36 13.140 -32.406 5.773 1.00 3.24 O ATOM 0 H GLY A 36 14.722 -29.636 7.756 1.00 43.45 H new ATOM 0 HA2 GLY A 36 14.993 -30.658 5.557 1.00 35.32 H new ATOM 0 HA3 GLY A 36 15.949 -31.921 6.306 1.00 35.32 H new ATOM 524 N THR A 37 13.575 -32.344 7.980 1.00 25.14 N ATOM 525 CA THR A 37 12.395 -33.117 8.346 1.00 63.33 C ATOM 526 C THR A 37 11.122 -32.304 8.145 1.00 34.22 C ATOM 527 O THR A 37 11.154 -31.210 7.583 1.00 51.51 O ATOM 528 CB THR A 37 12.464 -33.589 9.810 1.00 22.53 C ATOM 529 OG1 THR A 37 12.370 -32.465 10.692 1.00 21.43 O ATOM 530 CG2 THR A 37 13.759 -34.342 10.076 1.00 44.01 C ATOM 0 H THR A 37 14.153 -32.057 8.770 1.00 25.14 H new ATOM 0 HA THR A 37 12.373 -33.989 7.692 1.00 63.33 H new ATOM 0 HB THR A 37 11.627 -34.263 9.991 1.00 22.53 H new ATOM 0 HG1 THR A 37 12.989 -32.585 11.442 1.00 21.43 H new ATOM 0 HG21 THR A 37 13.785 -34.665 11.117 1.00 44.01 H new ATOM 0 HG22 THR A 37 13.814 -35.214 9.424 1.00 44.01 H new ATOM 0 HG23 THR A 37 14.608 -33.687 9.878 1.00 44.01 H new ATOM 538 N VAL A 38 10.000 -32.846 8.609 1.00 11.03 N ATOM 539 CA VAL A 38 8.715 -32.169 8.482 1.00 34.44 C ATOM 540 C VAL A 38 7.907 -32.278 9.771 1.00 72.13 C ATOM 541 O VAL A 38 7.836 -33.344 10.384 1.00 75.12 O ATOM 542 CB VAL A 38 7.887 -32.750 7.320 1.00 2.31 C ATOM 543 CG1 VAL A 38 6.478 -32.177 7.330 1.00 71.52 C ATOM 544 CG2 VAL A 38 8.573 -32.477 5.990 1.00 2.20 C ATOM 0 H VAL A 38 9.955 -33.752 9.076 1.00 11.03 H new ATOM 0 HA VAL A 38 8.929 -31.120 8.277 1.00 34.44 H new ATOM 0 HB VAL A 38 7.815 -33.830 7.451 1.00 2.31 H new ATOM 0 HG11 VAL A 38 5.908 -32.599 6.502 1.00 71.52 H new ATOM 0 HG12 VAL A 38 5.990 -32.428 8.272 1.00 71.52 H new ATOM 0 HG13 VAL A 38 6.525 -31.093 7.223 1.00 71.52 H new ATOM 0 HG21 VAL A 38 7.975 -32.894 5.180 1.00 2.20 H new ATOM 0 HG22 VAL A 38 8.677 -31.401 5.848 1.00 2.20 H new ATOM 0 HG23 VAL A 38 9.560 -32.940 5.988 1.00 2.20 H new ATOM 554 N LEU A 39 7.299 -31.169 10.176 1.00 12.15 N ATOM 555 CA LEU A 39 6.494 -31.139 11.393 1.00 42.31 C ATOM 556 C LEU A 39 5.188 -31.903 11.201 1.00 51.51 C ATOM 557 O LEU A 39 4.484 -31.710 10.209 1.00 72.23 O ATOM 558 CB LEU A 39 6.198 -29.693 11.796 1.00 24.25 C ATOM 559 CG LEU A 39 6.710 -29.262 13.171 1.00 3.13 C ATOM 560 CD1 LEU A 39 5.992 -30.027 14.272 1.00 0.43 C ATOM 561 CD2 LEU A 39 8.215 -29.469 13.269 1.00 34.44 C ATOM 0 H LEU A 39 7.348 -30.279 9.680 1.00 12.15 H new ATOM 0 HA LEU A 39 7.062 -31.622 12.188 1.00 42.31 H new ATOM 0 HB2 LEU A 39 6.631 -29.032 11.045 1.00 24.25 H new ATOM 0 HB3 LEU A 39 5.119 -29.543 11.769 1.00 24.25 H new ATOM 0 HG LEU A 39 6.500 -28.200 13.299 1.00 3.13 H new ATOM 0 HD11 LEU A 39 6.370 -29.707 15.243 1.00 0.43 H new ATOM 0 HD12 LEU A 39 4.922 -29.828 14.215 1.00 0.43 H new ATOM 0 HD13 LEU A 39 6.169 -31.095 14.148 1.00 0.43 H new ATOM 0 HD21 LEU A 39 8.562 -29.157 14.254 1.00 34.44 H new ATOM 0 HD22 LEU A 39 8.448 -30.523 13.120 1.00 34.44 H new ATOM 0 HD23 LEU A 39 8.715 -28.875 12.504 1.00 34.44 H new ATOM 573 N LEU A 40 4.869 -32.768 12.157 1.00 52.11 N ATOM 574 CA LEU A 40 3.645 -33.560 12.095 1.00 41.23 C ATOM 575 C LEU A 40 2.437 -32.673 11.812 1.00 74.24 C ATOM 576 O LEU A 40 1.524 -33.064 11.084 1.00 62.34 O ATOM 577 CB LEU A 40 3.439 -34.319 13.406 1.00 34.43 C ATOM 578 CG LEU A 40 2.809 -35.707 13.286 1.00 74.50 C ATOM 579 CD1 LEU A 40 2.572 -36.307 14.663 1.00 31.42 C ATOM 580 CD2 LEU A 40 1.506 -35.636 12.502 1.00 2.13 C ATOM 0 H LEU A 40 5.440 -32.939 12.984 1.00 52.11 H new ATOM 0 HA LEU A 40 3.745 -34.276 11.280 1.00 41.23 H new ATOM 0 HB2 LEU A 40 4.406 -34.422 13.899 1.00 34.43 H new ATOM 0 HB3 LEU A 40 2.812 -33.712 14.059 1.00 34.43 H new ATOM 0 HG LEU A 40 3.501 -36.353 12.745 1.00 74.50 H new ATOM 0 HD11 LEU A 40 2.123 -37.295 14.557 1.00 31.42 H new ATOM 0 HD12 LEU A 40 3.522 -36.395 15.190 1.00 31.42 H new ATOM 0 HD13 LEU A 40 1.901 -35.662 15.230 1.00 31.42 H new ATOM 0 HD21 LEU A 40 1.072 -36.633 12.427 1.00 2.13 H new ATOM 0 HD22 LEU A 40 0.808 -34.974 13.015 1.00 2.13 H new ATOM 0 HD23 LEU A 40 1.704 -35.250 11.502 1.00 2.13 H new ATOM 592 N SER A 41 2.438 -31.477 12.390 1.00 4.43 N ATOM 593 CA SER A 41 1.341 -30.535 12.202 1.00 44.45 C ATOM 594 C SER A 41 1.090 -30.283 10.718 1.00 64.22 C ATOM 595 O SER A 41 -0.051 -30.113 10.289 1.00 53.14 O ATOM 596 CB SER A 41 1.648 -29.214 12.910 1.00 41.55 C ATOM 597 OG SER A 41 1.673 -29.383 14.316 1.00 11.43 O ATOM 0 H SER A 41 3.187 -31.137 12.993 1.00 4.43 H new ATOM 0 HA SER A 41 0.442 -30.971 12.636 1.00 44.45 H new ATOM 0 HB2 SER A 41 2.610 -28.830 12.570 1.00 41.55 H new ATOM 0 HB3 SER A 41 0.896 -28.471 12.643 1.00 41.55 H new ATOM 0 HG SER A 41 1.873 -28.525 14.745 1.00 11.43 H new ATOM 603 N THR A 42 2.166 -30.261 9.937 1.00 25.24 N ATOM 604 CA THR A 42 2.065 -30.030 8.502 1.00 1.41 C ATOM 605 C THR A 42 1.486 -31.246 7.788 1.00 1.25 C ATOM 606 O THR A 42 0.671 -31.113 6.875 1.00 3.22 O ATOM 607 CB THR A 42 3.438 -29.694 7.889 1.00 54.12 C ATOM 608 OG1 THR A 42 3.957 -28.496 8.476 1.00 12.41 O ATOM 609 CG2 THR A 42 3.329 -29.520 6.381 1.00 31.24 C ATOM 0 H THR A 42 3.118 -30.401 10.275 1.00 25.24 H new ATOM 0 HA THR A 42 1.396 -29.180 8.365 1.00 1.41 H new ATOM 0 HB THR A 42 4.116 -30.522 8.096 1.00 54.12 H new ATOM 0 HG1 THR A 42 4.831 -28.291 8.082 1.00 12.41 H new ATOM 0 HG21 THR A 42 4.310 -29.283 5.970 1.00 31.24 H new ATOM 0 HG22 THR A 42 2.962 -30.444 5.934 1.00 31.24 H new ATOM 0 HG23 THR A 42 2.637 -28.708 6.158 1.00 31.24 H new ATOM 617 N VAL A 43 1.911 -32.432 8.211 1.00 23.21 N ATOM 618 CA VAL A 43 1.433 -33.673 7.613 1.00 23.12 C ATOM 619 C VAL A 43 -0.084 -33.783 7.714 1.00 41.10 C ATOM 620 O VAL A 43 -0.745 -34.270 6.796 1.00 13.41 O ATOM 621 CB VAL A 43 2.072 -34.903 8.286 1.00 12.21 C ATOM 622 CG1 VAL A 43 1.236 -36.147 8.027 1.00 22.25 C ATOM 623 CG2 VAL A 43 3.499 -35.097 7.796 1.00 74.14 C ATOM 0 H VAL A 43 2.585 -32.560 8.966 1.00 23.21 H new ATOM 0 HA VAL A 43 1.724 -33.651 6.563 1.00 23.12 H new ATOM 0 HB VAL A 43 2.102 -34.733 9.362 1.00 12.21 H new ATOM 0 HG11 VAL A 43 1.702 -37.006 8.510 1.00 22.25 H new ATOM 0 HG12 VAL A 43 0.234 -36.003 8.432 1.00 22.25 H new ATOM 0 HG13 VAL A 43 1.171 -36.325 6.954 1.00 22.25 H new ATOM 0 HG21 VAL A 43 3.935 -35.970 8.282 1.00 74.14 H new ATOM 0 HG22 VAL A 43 3.496 -35.246 6.716 1.00 74.14 H new ATOM 0 HG23 VAL A 43 4.090 -34.214 8.039 1.00 74.14 H new ATOM 633 N THR A 44 -0.632 -33.327 8.836 1.00 3.52 N ATOM 634 CA THR A 44 -2.071 -33.374 9.058 1.00 13.31 C ATOM 635 C THR A 44 -2.788 -32.296 8.252 1.00 65.43 C ATOM 636 O THR A 44 -3.952 -32.453 7.886 1.00 50.02 O ATOM 637 CB THR A 44 -2.416 -33.197 10.549 1.00 21.10 C ATOM 638 OG1 THR A 44 -2.113 -31.862 10.967 1.00 4.41 O ATOM 639 CG2 THR A 44 -1.643 -34.190 11.404 1.00 0.43 C ATOM 0 H THR A 44 -0.100 -32.921 9.606 1.00 3.52 H new ATOM 0 HA THR A 44 -2.409 -34.356 8.728 1.00 13.31 H new ATOM 0 HB THR A 44 -3.482 -33.384 10.678 1.00 21.10 H new ATOM 0 HG1 THR A 44 -1.298 -31.555 10.517 1.00 4.41 H new ATOM 0 HG21 THR A 44 -1.903 -34.046 12.453 1.00 0.43 H new ATOM 0 HG22 THR A 44 -1.899 -35.206 11.103 1.00 0.43 H new ATOM 0 HG23 THR A 44 -0.573 -34.030 11.270 1.00 0.43 H new ATOM 647 N ALA A 45 -2.084 -31.203 7.977 1.00 24.12 N ATOM 648 CA ALA A 45 -2.652 -30.101 7.211 1.00 10.13 C ATOM 649 C ALA A 45 -3.314 -30.604 5.933 1.00 64.41 C ATOM 650 O ALA A 45 -4.444 -30.232 5.621 1.00 51.32 O ATOM 651 CB ALA A 45 -1.576 -29.076 6.883 1.00 71.42 C ATOM 0 H ALA A 45 -1.119 -31.057 8.273 1.00 24.12 H new ATOM 0 HA ALA A 45 -3.418 -29.624 7.822 1.00 10.13 H new ATOM 0 HB1 ALA A 45 -2.015 -28.259 6.311 1.00 71.42 H new ATOM 0 HB2 ALA A 45 -1.152 -28.685 7.808 1.00 71.42 H new ATOM 0 HB3 ALA A 45 -0.790 -29.549 6.295 1.00 71.42 H new ATOM 657 N GLN A 46 -2.601 -31.452 5.198 1.00 72.13 N ATOM 658 CA GLN A 46 -3.120 -32.005 3.952 1.00 12.13 C ATOM 659 C GLN A 46 -3.502 -33.471 4.125 1.00 62.41 C ATOM 660 O GLN A 46 -4.436 -33.960 3.488 1.00 1.54 O ATOM 661 CB GLN A 46 -2.084 -31.863 2.836 1.00 61.30 C ATOM 662 CG GLN A 46 -1.182 -30.650 2.994 1.00 41.14 C ATOM 663 CD GLN A 46 -0.145 -30.547 1.893 1.00 42.23 C ATOM 664 OE1 GLN A 46 0.047 -29.483 1.303 1.00 63.24 O ATOM 665 NE2 GLN A 46 0.531 -31.654 1.610 1.00 60.30 N ATOM 0 H GLN A 46 -1.664 -31.771 5.443 1.00 72.13 H new ATOM 0 HA GLN A 46 -4.015 -31.445 3.680 1.00 12.13 H new ATOM 0 HB2 GLN A 46 -1.468 -32.762 2.807 1.00 61.30 H new ATOM 0 HB3 GLN A 46 -2.600 -31.799 1.878 1.00 61.30 H new ATOM 0 HG2 GLN A 46 -1.792 -29.747 2.999 1.00 41.14 H new ATOM 0 HG3 GLN A 46 -0.678 -30.700 3.959 1.00 41.14 H new ATOM 0 HE21 GLN A 46 0.340 -32.514 2.124 1.00 60.30 H new ATOM 0 HE22 GLN A 46 1.242 -31.645 0.879 1.00 60.30 H new ATOM 674 N PHE A 47 -2.773 -34.170 4.989 1.00 0.54 N ATOM 675 CA PHE A 47 -3.034 -35.581 5.245 1.00 73.21 C ATOM 676 C PHE A 47 -3.453 -35.803 6.695 1.00 21.14 C ATOM 677 O PHE A 47 -2.673 -36.263 7.530 1.00 41.13 O ATOM 678 CB PHE A 47 -1.793 -36.417 4.927 1.00 62.21 C ATOM 679 CG PHE A 47 -1.011 -35.906 3.751 1.00 2.30 C ATOM 680 CD1 PHE A 47 0.359 -35.716 3.843 1.00 54.53 C ATOM 681 CD2 PHE A 47 -1.645 -35.614 2.554 1.00 32.51 C ATOM 682 CE1 PHE A 47 1.081 -35.245 2.762 1.00 24.34 C ATOM 683 CE2 PHE A 47 -0.928 -35.144 1.470 1.00 24.54 C ATOM 684 CZ PHE A 47 0.437 -34.958 1.575 1.00 20.50 C ATOM 0 H PHE A 47 -1.996 -33.781 5.524 1.00 0.54 H new ATOM 0 HA PHE A 47 -3.852 -35.896 4.597 1.00 73.21 H new ATOM 0 HB2 PHE A 47 -1.145 -36.438 5.803 1.00 62.21 H new ATOM 0 HB3 PHE A 47 -2.098 -37.445 4.731 1.00 62.21 H new ATOM 0 HD1 PHE A 47 0.868 -35.938 4.769 1.00 54.53 H new ATOM 0 HD2 PHE A 47 -2.712 -35.755 2.467 1.00 32.51 H new ATOM 0 HE1 PHE A 47 2.148 -35.102 2.846 1.00 24.34 H new ATOM 0 HE2 PHE A 47 -1.434 -34.922 0.542 1.00 24.54 H new ATOM 0 HZ PHE A 47 0.999 -34.589 0.730 1.00 20.50 H new ATOM 694 N PRO A 48 -4.714 -35.468 7.004 1.00 34.24 N ATOM 695 CA PRO A 48 -5.266 -35.622 8.354 1.00 52.41 C ATOM 696 C PRO A 48 -5.456 -37.085 8.740 1.00 53.54 C ATOM 697 O PRO A 48 -6.075 -37.855 8.006 1.00 1.42 O ATOM 698 CB PRO A 48 -6.619 -34.911 8.267 1.00 73.44 C ATOM 699 CG PRO A 48 -6.992 -34.982 6.826 1.00 42.31 C ATOM 700 CD PRO A 48 -5.699 -34.915 6.060 1.00 14.52 C ATOM 0 HA PRO A 48 -4.602 -35.212 9.115 1.00 52.41 H new ATOM 0 HB2 PRO A 48 -7.365 -35.401 8.894 1.00 73.44 H new ATOM 0 HB3 PRO A 48 -6.546 -33.878 8.607 1.00 73.44 H new ATOM 0 HG2 PRO A 48 -7.528 -35.905 6.607 1.00 42.31 H new ATOM 0 HG3 PRO A 48 -7.651 -34.158 6.552 1.00 42.31 H new ATOM 0 HD2 PRO A 48 -5.746 -35.499 5.141 1.00 14.52 H new ATOM 0 HD3 PRO A 48 -5.453 -33.892 5.776 1.00 14.52 H new ATOM 708 N GLY A 49 -4.920 -37.461 9.897 1.00 71.55 N ATOM 709 CA GLY A 49 -5.042 -38.831 10.359 1.00 33.54 C ATOM 710 C GLY A 49 -3.868 -39.692 9.939 1.00 24.42 C ATOM 711 O GLY A 49 -3.577 -40.708 10.570 1.00 70.30 O ATOM 0 H GLY A 49 -4.404 -36.842 10.522 1.00 71.55 H new ATOM 0 HA2 GLY A 49 -5.123 -38.839 11.446 1.00 33.54 H new ATOM 0 HA3 GLY A 49 -5.963 -39.262 9.967 1.00 33.54 H new ATOM 715 N ALA A 50 -3.191 -39.287 8.870 1.00 52.54 N ATOM 716 CA ALA A 50 -2.042 -40.028 8.366 1.00 4.11 C ATOM 717 C ALA A 50 -0.947 -40.127 9.423 1.00 45.33 C ATOM 718 O ALA A 50 -0.140 -39.210 9.582 1.00 45.05 O ATOM 719 CB ALA A 50 -1.502 -39.372 7.104 1.00 51.41 C ATOM 0 H ALA A 50 -3.419 -38.449 8.336 1.00 52.54 H new ATOM 0 HA ALA A 50 -2.371 -41.039 8.124 1.00 4.11 H new ATOM 0 HB1 ALA A 50 -0.644 -39.937 6.739 1.00 51.41 H new ATOM 0 HB2 ALA A 50 -2.279 -39.359 6.340 1.00 51.41 H new ATOM 0 HB3 ALA A 50 -1.195 -38.350 7.328 1.00 51.41 H new ATOM 725 N CYS A 51 -0.925 -41.243 10.143 1.00 42.23 N ATOM 726 CA CYS A 51 0.071 -41.460 11.186 1.00 21.40 C ATOM 727 C CYS A 51 1.438 -41.758 10.579 1.00 22.30 C ATOM 728 O CYS A 51 2.470 -41.374 11.128 1.00 13.31 O ATOM 729 CB CYS A 51 -0.358 -42.611 12.097 1.00 23.42 C ATOM 730 SG CYS A 51 0.213 -42.452 13.805 1.00 21.55 S ATOM 0 H CYS A 51 -1.585 -42.011 10.024 1.00 42.23 H new ATOM 0 HA CYS A 51 0.148 -40.547 11.777 1.00 21.40 H new ATOM 0 HB2 CYS A 51 -1.446 -42.677 12.094 1.00 23.42 H new ATOM 0 HB3 CYS A 51 0.019 -43.547 11.685 1.00 23.42 H new ATOM 0 HG CYS A 51 -0.201 -43.471 14.498 1.00 21.55 H new ATOM 736 N GLY A 52 1.438 -42.448 9.442 1.00 32.23 N ATOM 737 CA GLY A 52 2.684 -42.788 8.780 1.00 32.04 C ATOM 738 C GLY A 52 2.587 -42.680 7.272 1.00 41.54 C ATOM 739 O GLY A 52 1.545 -42.977 6.686 1.00 42.23 O ATOM 0 H GLY A 52 0.597 -42.777 8.968 1.00 32.23 H new ATOM 0 HA2 GLY A 52 3.474 -42.128 9.138 1.00 32.04 H new ATOM 0 HA3 GLY A 52 2.970 -43.804 9.051 1.00 32.04 H new ATOM 743 N LEU A 53 3.674 -42.251 6.640 1.00 25.21 N ATOM 744 CA LEU A 53 3.708 -42.102 5.189 1.00 31.22 C ATOM 745 C LEU A 53 4.690 -43.087 4.563 1.00 31.32 C ATOM 746 O LEU A 53 5.761 -43.345 5.112 1.00 1.05 O ATOM 747 CB LEU A 53 4.094 -40.671 4.813 1.00 51.24 C ATOM 748 CG LEU A 53 3.406 -39.559 5.606 1.00 74.34 C ATOM 749 CD1 LEU A 53 1.947 -39.908 5.858 1.00 60.12 C ATOM 750 CD2 LEU A 53 4.132 -39.313 6.920 1.00 61.51 C ATOM 0 H LEU A 53 4.544 -42.000 7.110 1.00 25.21 H new ATOM 0 HA LEU A 53 2.711 -42.317 4.803 1.00 31.22 H new ATOM 0 HB2 LEU A 53 5.172 -40.563 4.935 1.00 51.24 H new ATOM 0 HB3 LEU A 53 3.876 -40.523 3.755 1.00 51.24 H new ATOM 0 HG LEU A 53 3.443 -38.643 5.017 1.00 74.34 H new ATOM 0 HD11 LEU A 53 1.473 -39.106 6.423 1.00 60.12 H new ATOM 0 HD12 LEU A 53 1.433 -40.033 4.905 1.00 60.12 H new ATOM 0 HD13 LEU A 53 1.888 -40.836 6.426 1.00 60.12 H new ATOM 0 HD21 LEU A 53 3.628 -38.519 7.471 1.00 61.51 H new ATOM 0 HD22 LEU A 53 4.127 -40.226 7.515 1.00 61.51 H new ATOM 0 HD23 LEU A 53 5.161 -39.018 6.717 1.00 61.51 H new ATOM 762 N ARG A 54 4.318 -43.633 3.410 1.00 61.31 N ATOM 763 CA ARG A 54 5.166 -44.589 2.708 1.00 25.15 C ATOM 764 C ARG A 54 5.813 -43.947 1.485 1.00 53.44 C ATOM 765 O ARG A 54 5.396 -42.877 1.039 1.00 33.13 O ATOM 766 CB ARG A 54 4.351 -45.812 2.285 1.00 61.21 C ATOM 767 CG ARG A 54 5.024 -47.136 2.611 1.00 11.53 C ATOM 768 CD ARG A 54 4.744 -48.181 1.543 1.00 32.24 C ATOM 769 NE ARG A 54 3.873 -49.246 2.035 1.00 50.31 N ATOM 770 CZ ARG A 54 4.265 -50.176 2.899 1.00 52.33 C ATOM 771 NH1 ARG A 54 5.506 -50.172 3.364 1.00 1.34 N ATOM 772 NH2 ARG A 54 3.414 -51.112 3.299 1.00 52.21 N ATOM 0 H ARG A 54 3.435 -43.430 2.942 1.00 61.31 H new ATOM 0 HA ARG A 54 5.955 -44.905 3.390 1.00 25.15 H new ATOM 0 HB2 ARG A 54 3.379 -45.778 2.777 1.00 61.21 H new ATOM 0 HB3 ARG A 54 4.167 -45.762 1.212 1.00 61.21 H new ATOM 0 HG2 ARG A 54 6.100 -46.986 2.702 1.00 11.53 H new ATOM 0 HG3 ARG A 54 4.670 -47.497 3.577 1.00 11.53 H new ATOM 0 HD2 ARG A 54 4.280 -47.703 0.680 1.00 32.24 H new ATOM 0 HD3 ARG A 54 5.685 -48.611 1.201 1.00 32.24 H new ATOM 0 HE ARG A 54 2.911 -49.277 1.697 1.00 50.31 H new ATOM 0 HH11 ARG A 54 6.163 -49.454 3.059 1.00 1.34 H new ATOM 0 HH12 ARG A 54 5.804 -50.887 4.027 1.00 1.34 H new ATOM 0 HH21 ARG A 54 2.458 -51.118 2.943 1.00 52.21 H new ATOM 0 HH22 ARG A 54 3.716 -51.826 3.962 1.00 52.21 H new ATOM 786 N TYR A 55 6.833 -44.606 0.946 1.00 14.42 N ATOM 787 CA TYR A 55 7.539 -44.098 -0.224 1.00 55.41 C ATOM 788 C TYR A 55 7.133 -44.864 -1.480 1.00 3.42 C ATOM 789 O TYR A 55 7.150 -46.094 -1.502 1.00 62.41 O ATOM 790 CB TYR A 55 9.051 -44.199 -0.017 1.00 53.43 C ATOM 791 CG TYR A 55 9.746 -42.857 0.031 1.00 2.00 C ATOM 792 CD1 TYR A 55 10.433 -42.449 1.168 1.00 20.31 C ATOM 793 CD2 TYR A 55 9.716 -41.997 -1.059 1.00 51.35 C ATOM 794 CE1 TYR A 55 11.069 -41.224 1.217 1.00 24.13 C ATOM 795 CE2 TYR A 55 10.351 -40.770 -1.020 1.00 34.43 C ATOM 796 CZ TYR A 55 11.026 -40.389 0.121 1.00 52.52 C ATOM 797 OH TYR A 55 11.658 -39.167 0.165 1.00 62.12 O ATOM 0 H TYR A 55 7.189 -45.493 1.301 1.00 14.42 H new ATOM 0 HA TYR A 55 7.267 -43.051 -0.355 1.00 55.41 H new ATOM 0 HB2 TYR A 55 9.247 -44.734 0.912 1.00 53.43 H new ATOM 0 HB3 TYR A 55 9.481 -44.793 -0.824 1.00 53.43 H new ATOM 0 HD1 TYR A 55 10.470 -43.101 2.028 1.00 20.31 H new ATOM 0 HD2 TYR A 55 9.187 -42.292 -1.953 1.00 51.35 H new ATOM 0 HE1 TYR A 55 11.597 -40.922 2.109 1.00 24.13 H new ATOM 0 HE2 TYR A 55 10.319 -40.114 -1.877 1.00 34.43 H new ATOM 0 HH TYR A 55 11.312 -38.594 -0.550 1.00 62.12 H new ATOM 807 N ARG A 56 6.770 -44.126 -2.524 1.00 12.34 N ATOM 808 CA ARG A 56 6.360 -44.734 -3.783 1.00 54.15 C ATOM 809 C ARG A 56 7.123 -44.124 -4.956 1.00 30.15 C ATOM 810 O ARG A 56 6.760 -43.063 -5.461 1.00 12.24 O ATOM 811 CB ARG A 56 4.855 -44.557 -3.994 1.00 13.33 C ATOM 812 CG ARG A 56 4.410 -44.780 -5.430 1.00 11.51 C ATOM 813 CD ARG A 56 4.905 -46.114 -5.966 1.00 1.32 C ATOM 814 NE ARG A 56 4.501 -46.331 -7.352 1.00 41.54 N ATOM 815 CZ ARG A 56 4.633 -47.492 -7.983 1.00 60.13 C ATOM 816 NH1 ARG A 56 5.155 -48.536 -7.355 1.00 21.14 N ATOM 817 NH2 ARG A 56 4.242 -47.611 -9.246 1.00 32.04 N ATOM 0 H ARG A 56 6.752 -43.106 -2.522 1.00 12.34 H new ATOM 0 HA ARG A 56 6.591 -45.798 -3.735 1.00 54.15 H new ATOM 0 HB2 ARG A 56 4.322 -45.252 -3.345 1.00 13.33 H new ATOM 0 HB3 ARG A 56 4.570 -43.551 -3.686 1.00 13.33 H new ATOM 0 HG2 ARG A 56 3.322 -44.746 -5.484 1.00 11.51 H new ATOM 0 HG3 ARG A 56 4.786 -43.972 -6.058 1.00 11.51 H new ATOM 0 HD2 ARG A 56 5.992 -46.152 -5.895 1.00 1.32 H new ATOM 0 HD3 ARG A 56 4.517 -46.921 -5.345 1.00 1.32 H new ATOM 0 HE ARG A 56 4.095 -45.548 -7.864 1.00 41.54 H new ATOM 0 HH11 ARG A 56 5.457 -48.449 -6.384 1.00 21.14 H new ATOM 0 HH12 ARG A 56 5.255 -49.426 -7.842 1.00 21.14 H new ATOM 0 HH21 ARG A 56 3.840 -46.810 -9.733 1.00 32.04 H new ATOM 0 HH22 ARG A 56 4.344 -48.503 -9.730 1.00 32.04 H new ATOM 831 N ASN A 57 8.183 -44.803 -5.382 1.00 72.23 N ATOM 832 CA ASN A 57 8.998 -44.328 -6.494 1.00 43.10 C ATOM 833 C ASN A 57 8.816 -45.216 -7.721 1.00 53.22 C ATOM 834 O ASN A 57 9.200 -46.386 -7.735 1.00 12.55 O ATOM 835 CB ASN A 57 10.474 -44.291 -6.092 1.00 61.31 C ATOM 836 CG ASN A 57 10.801 -43.109 -5.200 1.00 63.32 C ATOM 837 OD1 ASN A 57 10.124 -42.865 -4.201 1.00 43.14 O ATOM 838 ND2 ASN A 57 11.844 -42.369 -5.558 1.00 51.13 N ATOM 0 H ASN A 57 8.498 -45.683 -4.974 1.00 72.23 H new ATOM 0 HA ASN A 57 8.671 -43.319 -6.746 1.00 43.10 H new ATOM 0 HB2 ASN A 57 10.730 -45.215 -5.574 1.00 61.31 H new ATOM 0 HB3 ASN A 57 11.091 -44.247 -6.989 1.00 61.31 H new ATOM 0 HD21 ASN A 57 12.113 -41.561 -4.997 1.00 51.13 H new ATOM 0 HD22 ASN A 57 12.376 -42.609 -6.394 1.00 51.13 H new ATOM 845 N PRO A 58 8.216 -44.648 -8.778 1.00 72.41 N ATOM 846 CA PRO A 58 7.970 -45.370 -10.030 1.00 55.12 C ATOM 847 C PRO A 58 9.257 -45.662 -10.794 1.00 13.12 C ATOM 848 O PRO A 58 9.374 -46.689 -11.463 1.00 4.34 O ATOM 849 CB PRO A 58 7.083 -44.408 -10.825 1.00 73.22 C ATOM 850 CG PRO A 58 7.411 -43.058 -10.288 1.00 20.23 C ATOM 851 CD PRO A 58 7.732 -43.259 -8.832 1.00 41.44 C ATOM 0 HA PRO A 58 7.516 -46.345 -9.855 1.00 55.12 H new ATOM 0 HB2 PRO A 58 7.290 -44.470 -11.893 1.00 73.22 H new ATOM 0 HB3 PRO A 58 6.027 -44.641 -10.691 1.00 73.22 H new ATOM 0 HG2 PRO A 58 8.258 -42.622 -10.818 1.00 20.23 H new ATOM 0 HG3 PRO A 58 6.571 -42.374 -10.412 1.00 20.23 H new ATOM 0 HD2 PRO A 58 8.490 -42.556 -8.487 1.00 41.44 H new ATOM 0 HD3 PRO A 58 6.853 -43.115 -8.203 1.00 41.44 H new ATOM 859 N VAL A 59 10.221 -44.753 -10.689 1.00 53.54 N ATOM 860 CA VAL A 59 11.501 -44.914 -11.369 1.00 15.40 C ATOM 861 C VAL A 59 12.472 -45.730 -10.524 1.00 43.14 C ATOM 862 O VAL A 59 13.344 -46.419 -11.054 1.00 42.42 O ATOM 863 CB VAL A 59 12.139 -43.550 -11.693 1.00 64.11 C ATOM 864 CG1 VAL A 59 11.209 -42.717 -12.562 1.00 21.41 C ATOM 865 CG2 VAL A 59 12.491 -42.809 -10.412 1.00 64.11 C ATOM 0 H VAL A 59 10.140 -43.897 -10.140 1.00 53.54 H new ATOM 0 HA VAL A 59 11.301 -45.443 -12.301 1.00 15.40 H new ATOM 0 HB VAL A 59 13.059 -43.723 -12.251 1.00 64.11 H new ATOM 0 HG11 VAL A 59 11.677 -41.757 -12.780 1.00 21.41 H new ATOM 0 HG12 VAL A 59 11.013 -43.245 -13.495 1.00 21.41 H new ATOM 0 HG13 VAL A 59 10.270 -42.551 -12.034 1.00 21.41 H new ATOM 0 HG21 VAL A 59 12.941 -41.847 -10.660 1.00 64.11 H new ATOM 0 HG22 VAL A 59 11.587 -42.646 -9.826 1.00 64.11 H new ATOM 0 HG23 VAL A 59 13.198 -43.401 -9.832 1.00 64.11 H new ATOM 875 N SER A 60 12.316 -45.648 -9.207 1.00 32.21 N ATOM 876 CA SER A 60 13.182 -46.377 -8.288 1.00 33.14 C ATOM 877 C SER A 60 12.686 -47.806 -8.092 1.00 34.52 C ATOM 878 O SER A 60 13.474 -48.720 -7.852 1.00 61.42 O ATOM 879 CB SER A 60 13.248 -45.659 -6.938 1.00 41.14 C ATOM 880 OG SER A 60 14.465 -45.941 -6.270 1.00 4.21 O ATOM 0 H SER A 60 11.598 -45.084 -8.752 1.00 32.21 H new ATOM 0 HA SER A 60 14.181 -46.414 -8.722 1.00 33.14 H new ATOM 0 HB2 SER A 60 13.153 -44.584 -7.089 1.00 41.14 H new ATOM 0 HB3 SER A 60 12.408 -45.969 -6.316 1.00 41.14 H new ATOM 0 HG SER A 60 14.484 -45.470 -5.411 1.00 4.21 H new ATOM 886 N GLN A 61 11.373 -47.990 -8.196 1.00 23.12 N ATOM 887 CA GLN A 61 10.771 -49.308 -8.029 1.00 43.34 C ATOM 888 C GLN A 61 11.278 -49.981 -6.758 1.00 54.01 C ATOM 889 O GLN A 61 11.453 -51.199 -6.717 1.00 21.30 O ATOM 890 CB GLN A 61 11.076 -50.188 -9.243 1.00 1.31 C ATOM 891 CG GLN A 61 10.600 -49.595 -10.559 1.00 71.13 C ATOM 892 CD GLN A 61 9.902 -50.613 -11.439 1.00 64.44 C ATOM 893 OE1 GLN A 61 10.262 -51.791 -11.451 1.00 34.15 O ATOM 894 NE2 GLN A 61 8.898 -50.164 -12.184 1.00 24.35 N ATOM 0 H GLN A 61 10.707 -47.244 -8.395 1.00 23.12 H new ATOM 0 HA GLN A 61 9.692 -49.179 -7.944 1.00 43.34 H new ATOM 0 HB2 GLN A 61 12.151 -50.357 -9.298 1.00 1.31 H new ATOM 0 HB3 GLN A 61 10.607 -51.162 -9.102 1.00 1.31 H new ATOM 0 HG2 GLN A 61 9.919 -48.769 -10.356 1.00 71.13 H new ATOM 0 HG3 GLN A 61 11.453 -49.180 -11.096 1.00 71.13 H new ATOM 0 HE21 GLN A 61 8.633 -49.180 -12.143 1.00 24.35 H new ATOM 0 HE22 GLN A 61 8.392 -50.803 -12.797 1.00 24.35 H new ATOM 903 N CYS A 62 11.511 -49.181 -5.724 1.00 11.13 N ATOM 904 CA CYS A 62 11.999 -49.700 -4.451 1.00 14.44 C ATOM 905 C CYS A 62 10.866 -49.799 -3.434 1.00 52.51 C ATOM 906 O CYS A 62 9.695 -49.643 -3.778 1.00 74.43 O ATOM 907 CB CYS A 62 13.113 -48.805 -3.905 1.00 70.52 C ATOM 908 SG CYS A 62 14.587 -49.706 -3.371 1.00 62.02 S ATOM 0 H CYS A 62 11.370 -48.171 -5.742 1.00 11.13 H new ATOM 0 HA CYS A 62 12.397 -50.700 -4.623 1.00 14.44 H new ATOM 0 HB2 CYS A 62 13.398 -48.087 -4.674 1.00 70.52 H new ATOM 0 HB3 CYS A 62 12.725 -48.233 -3.063 1.00 70.52 H new ATOM 0 HG CYS A 62 15.473 -48.864 -2.928 1.00 62.02 H new ATOM 914 N MET A 63 11.223 -50.059 -2.181 1.00 25.40 N ATOM 915 CA MET A 63 10.236 -50.180 -1.114 1.00 44.33 C ATOM 916 C MET A 63 10.606 -49.294 0.071 1.00 3.12 C ATOM 917 O MET A 63 10.372 -49.655 1.225 1.00 40.14 O ATOM 918 CB MET A 63 10.119 -51.636 -0.661 1.00 21.14 C ATOM 919 CG MET A 63 9.726 -52.590 -1.777 1.00 22.45 C ATOM 920 SD MET A 63 8.018 -52.370 -2.309 1.00 72.25 S ATOM 921 CE MET A 63 7.914 -53.584 -3.623 1.00 13.42 C ATOM 0 H MET A 63 12.188 -50.190 -1.879 1.00 25.40 H new ATOM 0 HA MET A 63 9.273 -49.851 -1.504 1.00 44.33 H new ATOM 0 HB2 MET A 63 11.073 -51.955 -0.241 1.00 21.14 H new ATOM 0 HB3 MET A 63 9.381 -51.701 0.138 1.00 21.14 H new ATOM 0 HG2 MET A 63 10.390 -52.440 -2.628 1.00 22.45 H new ATOM 0 HG3 MET A 63 9.868 -53.617 -1.439 1.00 22.45 H new ATOM 0 HE1 MET A 63 6.913 -53.569 -4.054 1.00 13.42 H new ATOM 0 HE2 MET A 63 8.645 -53.347 -4.396 1.00 13.42 H new ATOM 0 HE3 MET A 63 8.121 -54.575 -3.220 1.00 13.42 H new ATOM 931 N ARG A 64 11.185 -48.134 -0.221 1.00 4.23 N ATOM 932 CA ARG A 64 11.589 -47.198 0.822 1.00 52.34 C ATOM 933 C ARG A 64 10.388 -46.765 1.658 1.00 42.41 C ATOM 934 O ARG A 64 9.281 -47.272 1.482 1.00 1.43 O ATOM 935 CB ARG A 64 12.262 -45.971 0.203 1.00 72.23 C ATOM 936 CG ARG A 64 13.451 -45.462 1.000 1.00 44.10 C ATOM 937 CD ARG A 64 13.467 -43.943 1.068 1.00 42.20 C ATOM 938 NE ARG A 64 14.738 -43.388 0.610 1.00 51.42 N ATOM 939 CZ ARG A 64 15.045 -43.213 -0.671 1.00 33.52 C ATOM 940 NH1 ARG A 64 14.177 -43.549 -1.615 1.00 71.14 N ATOM 941 NH2 ARG A 64 16.222 -42.702 -1.009 1.00 34.12 N ATOM 0 H ARG A 64 11.385 -47.820 -1.171 1.00 4.23 H new ATOM 0 HA ARG A 64 12.301 -47.704 1.474 1.00 52.34 H new ATOM 0 HB2 ARG A 64 12.591 -46.218 -0.806 1.00 72.23 H new ATOM 0 HB3 ARG A 64 11.527 -45.171 0.112 1.00 72.23 H new ATOM 0 HG2 ARG A 64 13.416 -45.872 2.009 1.00 44.10 H new ATOM 0 HG3 ARG A 64 14.375 -45.817 0.543 1.00 44.10 H new ATOM 0 HD2 ARG A 64 12.656 -43.544 0.458 1.00 42.20 H new ATOM 0 HD3 ARG A 64 13.281 -43.624 2.094 1.00 42.20 H new ATOM 0 HE ARG A 64 15.428 -43.120 1.312 1.00 51.42 H new ATOM 0 HH11 ARG A 64 13.272 -43.943 -1.359 1.00 71.14 H new ATOM 0 HH12 ARG A 64 14.415 -43.414 -2.598 1.00 71.14 H new ATOM 0 HH21 ARG A 64 16.892 -42.443 -0.285 1.00 34.12 H new ATOM 0 HH22 ARG A 64 16.456 -42.568 -1.993 1.00 34.12 H new ATOM 955 N GLY A 65 10.616 -45.823 2.569 1.00 25.41 N ATOM 956 CA GLY A 65 9.545 -45.339 3.419 1.00 10.33 C ATOM 957 C GLY A 65 9.961 -44.141 4.251 1.00 60.35 C ATOM 958 O GLY A 65 11.084 -44.084 4.751 1.00 45.33 O ATOM 0 H GLY A 65 11.523 -45.387 2.733 1.00 25.41 H new ATOM 0 HA2 GLY A 65 8.689 -45.069 2.801 1.00 10.33 H new ATOM 0 HA3 GLY A 65 9.220 -46.142 4.081 1.00 10.33 H new ATOM 962 N VAL A 66 9.054 -43.181 4.398 1.00 52.02 N ATOM 963 CA VAL A 66 9.333 -41.978 5.174 1.00 75.44 C ATOM 964 C VAL A 66 9.499 -42.305 6.653 1.00 31.44 C ATOM 965 O VAL A 66 8.711 -43.059 7.225 1.00 11.35 O ATOM 966 CB VAL A 66 8.212 -40.934 5.013 1.00 73.33 C ATOM 967 CG1 VAL A 66 8.463 -39.737 5.917 1.00 61.14 C ATOM 968 CG2 VAL A 66 8.093 -40.500 3.560 1.00 62.14 C ATOM 0 H VAL A 66 8.120 -43.213 3.990 1.00 52.02 H new ATOM 0 HA VAL A 66 10.265 -41.562 4.790 1.00 75.44 H new ATOM 0 HB VAL A 66 7.268 -41.391 5.310 1.00 73.33 H new ATOM 0 HG11 VAL A 66 7.661 -39.010 5.789 1.00 61.14 H new ATOM 0 HG12 VAL A 66 8.493 -40.066 6.956 1.00 61.14 H new ATOM 0 HG13 VAL A 66 9.415 -39.276 5.654 1.00 61.14 H new ATOM 0 HG21 VAL A 66 7.296 -39.762 3.465 1.00 62.14 H new ATOM 0 HG22 VAL A 66 9.035 -40.061 3.233 1.00 62.14 H new ATOM 0 HG23 VAL A 66 7.862 -41.366 2.939 1.00 62.14 H new ATOM 978 N ARG A 67 10.529 -41.734 7.268 1.00 42.41 N ATOM 979 CA ARG A 67 10.800 -41.965 8.682 1.00 53.33 C ATOM 980 C ARG A 67 9.950 -41.047 9.555 1.00 13.51 C ATOM 981 O ARG A 67 9.728 -39.882 9.219 1.00 71.51 O ATOM 982 CB ARG A 67 12.283 -41.742 8.982 1.00 21.30 C ATOM 983 CG ARG A 67 12.610 -41.740 10.466 1.00 4.23 C ATOM 984 CD ARG A 67 12.322 -43.091 11.103 1.00 50.54 C ATOM 985 NE ARG A 67 12.222 -43.000 12.557 1.00 72.32 N ATOM 986 CZ ARG A 67 13.275 -42.982 13.366 1.00 11.23 C ATOM 987 NH1 ARG A 67 14.501 -43.046 12.866 1.00 70.41 N ATOM 988 NH2 ARG A 67 13.103 -42.898 14.679 1.00 14.13 N ATOM 0 H ARG A 67 11.190 -41.107 6.809 1.00 42.41 H new ATOM 0 HA ARG A 67 10.541 -42.999 8.912 1.00 53.33 H new ATOM 0 HB2 ARG A 67 12.866 -42.522 8.491 1.00 21.30 H new ATOM 0 HB3 ARG A 67 12.594 -40.791 8.549 1.00 21.30 H new ATOM 0 HG2 ARG A 67 13.661 -41.487 10.608 1.00 4.23 H new ATOM 0 HG3 ARG A 67 12.026 -40.968 10.967 1.00 4.23 H new ATOM 0 HD2 ARG A 67 11.392 -43.491 10.700 1.00 50.54 H new ATOM 0 HD3 ARG A 67 13.112 -43.793 10.837 1.00 50.54 H new ATOM 0 HE ARG A 67 11.293 -42.947 12.974 1.00 72.32 H new ATOM 0 HH11 ARG A 67 14.638 -43.109 11.857 1.00 70.41 H new ATOM 0 HH12 ARG A 67 15.308 -43.032 13.490 1.00 70.41 H new ATOM 0 HH21 ARG A 67 12.161 -42.847 15.068 1.00 14.13 H new ATOM 0 HH22 ARG A 67 13.912 -42.884 15.300 1.00 14.13 H new ATOM 1002 N LEU A 68 9.476 -41.578 10.677 1.00 40.32 N ATOM 1003 CA LEU A 68 8.650 -40.807 11.599 1.00 14.50 C ATOM 1004 C LEU A 68 9.170 -40.927 13.028 1.00 71.43 C ATOM 1005 O LEU A 68 9.212 -42.020 13.594 1.00 2.30 O ATOM 1006 CB LEU A 68 7.197 -41.281 11.531 1.00 12.34 C ATOM 1007 CG LEU A 68 6.235 -40.644 12.536 1.00 45.35 C ATOM 1008 CD1 LEU A 68 6.283 -41.384 13.863 1.00 12.12 C ATOM 1009 CD2 LEU A 68 6.567 -39.172 12.731 1.00 2.54 C ATOM 0 H LEU A 68 9.650 -42.539 10.970 1.00 40.32 H new ATOM 0 HA LEU A 68 8.699 -39.759 11.302 1.00 14.50 H new ATOM 0 HB2 LEU A 68 6.820 -41.090 10.526 1.00 12.34 H new ATOM 0 HB3 LEU A 68 7.181 -42.361 11.677 1.00 12.34 H new ATOM 0 HG LEU A 68 5.223 -40.718 12.139 1.00 45.35 H new ATOM 0 HD11 LEU A 68 5.593 -40.917 14.565 1.00 12.12 H new ATOM 0 HD12 LEU A 68 5.996 -42.424 13.710 1.00 12.12 H new ATOM 0 HD13 LEU A 68 7.295 -41.342 14.267 1.00 12.12 H new ATOM 0 HD21 LEU A 68 5.873 -38.735 13.449 1.00 2.54 H new ATOM 0 HD22 LEU A 68 7.586 -39.075 13.106 1.00 2.54 H new ATOM 0 HD23 LEU A 68 6.480 -38.650 11.778 1.00 2.54 H new ATOM 1021 N VAL A 69 9.564 -39.797 13.606 1.00 34.24 N ATOM 1022 CA VAL A 69 10.078 -39.775 14.970 1.00 30.54 C ATOM 1023 C VAL A 69 9.523 -38.587 15.748 1.00 23.31 C ATOM 1024 O VAL A 69 9.737 -37.435 15.374 1.00 12.42 O ATOM 1025 CB VAL A 69 11.617 -39.714 14.989 1.00 11.10 C ATOM 1026 CG1 VAL A 69 12.118 -38.608 14.073 1.00 3.45 C ATOM 1027 CG2 VAL A 69 12.124 -39.513 16.409 1.00 65.21 C ATOM 0 H VAL A 69 9.537 -38.885 13.151 1.00 34.24 H new ATOM 0 HA VAL A 69 9.753 -40.700 15.446 1.00 30.54 H new ATOM 0 HB VAL A 69 12.006 -40.663 14.620 1.00 11.10 H new ATOM 0 HG11 VAL A 69 13.207 -38.580 14.099 1.00 3.45 H new ATOM 0 HG12 VAL A 69 11.784 -38.801 13.053 1.00 3.45 H new ATOM 0 HG13 VAL A 69 11.722 -37.650 14.409 1.00 3.45 H new ATOM 0 HG21 VAL A 69 13.213 -39.472 16.404 1.00 65.21 H new ATOM 0 HG22 VAL A 69 11.728 -38.579 16.808 1.00 65.21 H new ATOM 0 HG23 VAL A 69 11.795 -40.343 17.034 1.00 65.21 H new ATOM 1037 N GLU A 70 8.811 -38.877 16.832 1.00 34.23 N ATOM 1038 CA GLU A 70 8.225 -37.831 17.663 1.00 71.53 C ATOM 1039 C GLU A 70 7.253 -36.976 16.855 1.00 45.50 C ATOM 1040 O GLU A 70 7.056 -35.797 17.148 1.00 32.21 O ATOM 1041 CB GLU A 70 9.323 -36.950 18.261 1.00 51.51 C ATOM 1042 CG GLU A 70 10.481 -37.736 18.852 1.00 72.00 C ATOM 1043 CD GLU A 70 10.940 -37.183 20.187 1.00 21.53 C ATOM 1044 OE1 GLU A 70 11.343 -37.987 21.054 1.00 22.22 O ATOM 1045 OE2 GLU A 70 10.896 -35.948 20.366 1.00 63.43 O ATOM 0 H GLU A 70 8.626 -39.826 17.155 1.00 34.23 H new ATOM 0 HA GLU A 70 7.674 -38.310 18.472 1.00 71.53 H new ATOM 0 HB2 GLU A 70 9.705 -36.284 17.487 1.00 51.51 H new ATOM 0 HB3 GLU A 70 8.889 -36.320 19.037 1.00 51.51 H new ATOM 0 HG2 GLU A 70 10.182 -38.777 18.977 1.00 72.00 H new ATOM 0 HG3 GLU A 70 11.317 -37.726 18.152 1.00 72.00 H new ATOM 1052 N GLY A 71 6.650 -37.578 15.835 1.00 33.30 N ATOM 1053 CA GLY A 71 5.707 -36.857 15.000 1.00 61.21 C ATOM 1054 C GLY A 71 6.377 -36.178 13.822 1.00 24.11 C ATOM 1055 O GLY A 71 5.748 -35.950 12.788 1.00 23.14 O ATOM 0 H GLY A 71 6.798 -38.552 15.572 1.00 33.30 H new ATOM 0 HA2 GLY A 71 4.948 -37.549 14.633 1.00 61.21 H new ATOM 0 HA3 GLY A 71 5.192 -36.108 15.602 1.00 61.21 H new ATOM 1059 N ILE A 72 7.656 -35.853 13.978 1.00 1.21 N ATOM 1060 CA ILE A 72 8.411 -35.195 12.919 1.00 62.11 C ATOM 1061 C ILE A 72 8.866 -36.198 11.864 1.00 2.01 C ATOM 1062 O ILE A 72 9.704 -37.061 12.132 1.00 52.41 O ATOM 1063 CB ILE A 72 9.644 -34.461 13.479 1.00 60.13 C ATOM 1064 CG1 ILE A 72 9.215 -33.397 14.491 1.00 20.45 C ATOM 1065 CG2 ILE A 72 10.444 -33.832 12.348 1.00 3.22 C ATOM 1066 CD1 ILE A 72 9.797 -33.608 15.872 1.00 43.53 C ATOM 0 H ILE A 72 8.191 -36.035 14.827 1.00 1.21 H new ATOM 0 HA ILE A 72 7.742 -34.467 12.460 1.00 62.11 H new ATOM 0 HB ILE A 72 10.279 -35.185 13.989 1.00 60.13 H new ATOM 0 HG12 ILE A 72 9.516 -32.416 14.124 1.00 20.45 H new ATOM 0 HG13 ILE A 72 8.127 -33.391 14.561 1.00 20.45 H new ATOM 0 HG21 ILE A 72 11.312 -33.317 12.759 1.00 3.22 H new ATOM 0 HG22 ILE A 72 10.776 -34.610 11.660 1.00 3.22 H new ATOM 0 HG23 ILE A 72 9.818 -33.118 11.813 1.00 3.22 H new ATOM 0 HD11 ILE A 72 9.451 -32.817 16.537 1.00 43.53 H new ATOM 0 HD12 ILE A 72 9.475 -34.575 16.259 1.00 43.53 H new ATOM 0 HD13 ILE A 72 10.885 -33.584 15.816 1.00 43.53 H new ATOM 1078 N LEU A 73 8.311 -36.078 10.663 1.00 34.24 N ATOM 1079 CA LEU A 73 8.660 -36.973 9.566 1.00 64.32 C ATOM 1080 C LEU A 73 10.055 -36.662 9.033 1.00 62.02 C ATOM 1081 O LEU A 73 10.282 -35.610 8.434 1.00 61.21 O ATOM 1082 CB LEU A 73 7.633 -36.855 8.438 1.00 22.44 C ATOM 1083 CG LEU A 73 6.287 -37.538 8.683 1.00 70.11 C ATOM 1084 CD1 LEU A 73 6.485 -39.015 8.987 1.00 71.01 C ATOM 1085 CD2 LEU A 73 5.540 -36.853 9.818 1.00 21.43 C ATOM 0 H LEU A 73 7.617 -35.369 10.424 1.00 34.24 H new ATOM 0 HA LEU A 73 8.655 -37.994 9.948 1.00 64.32 H new ATOM 0 HB2 LEU A 73 7.452 -35.797 8.248 1.00 22.44 H new ATOM 0 HB3 LEU A 73 8.070 -37.272 7.531 1.00 22.44 H new ATOM 0 HG LEU A 73 5.688 -37.452 7.777 1.00 70.11 H new ATOM 0 HD11 LEU A 73 5.516 -39.484 9.159 1.00 71.01 H new ATOM 0 HD12 LEU A 73 6.977 -39.497 8.143 1.00 71.01 H new ATOM 0 HD13 LEU A 73 7.103 -39.123 9.878 1.00 71.01 H new ATOM 0 HD21 LEU A 73 4.584 -37.352 9.978 1.00 21.43 H new ATOM 0 HD22 LEU A 73 6.135 -36.907 10.730 1.00 21.43 H new ATOM 0 HD23 LEU A 73 5.365 -35.809 9.560 1.00 21.43 H new ATOM 1097 N HIS A 74 10.987 -37.585 9.253 1.00 53.43 N ATOM 1098 CA HIS A 74 12.359 -37.410 8.792 1.00 45.02 C ATOM 1099 C HIS A 74 12.487 -37.773 7.315 1.00 2.44 C ATOM 1100 O HIS A 74 11.734 -38.600 6.802 1.00 4.22 O ATOM 1101 CB HIS A 74 13.312 -38.268 9.624 1.00 23.51 C ATOM 1102 CG HIS A 74 14.480 -37.508 10.172 1.00 44.20 C ATOM 1103 ND1 HIS A 74 15.408 -36.874 9.372 1.00 32.12 N ATOM 1104 CD2 HIS A 74 14.868 -37.279 11.449 1.00 60.34 C ATOM 1105 CE1 HIS A 74 16.316 -36.290 10.133 1.00 25.40 C ATOM 1106 NE2 HIS A 74 16.012 -36.521 11.397 1.00 14.23 N ATOM 0 H HIS A 74 10.816 -38.461 9.747 1.00 53.43 H new ATOM 0 HA HIS A 74 12.626 -36.360 8.914 1.00 45.02 H new ATOM 0 HB2 HIS A 74 12.759 -38.713 10.451 1.00 23.51 H new ATOM 0 HB3 HIS A 74 13.680 -39.089 9.008 1.00 23.51 H new ATOM 0 HD2 HIS A 74 14.370 -37.628 12.342 1.00 60.34 H new ATOM 0 HE1 HIS A 74 17.163 -35.720 9.781 1.00 25.40 H new ATOM 0 HE2 HIS A 74 16.541 -36.190 12.204 1.00 14.23 H new ATOM 1114 N ALA A 75 13.445 -37.147 6.638 1.00 34.31 N ATOM 1115 CA ALA A 75 13.671 -37.405 5.222 1.00 63.25 C ATOM 1116 C ALA A 75 14.814 -38.395 5.020 1.00 41.43 C ATOM 1117 O ALA A 75 15.712 -38.521 5.853 1.00 71.44 O ATOM 1118 CB ALA A 75 13.961 -36.104 4.488 1.00 63.10 C ATOM 0 H ALA A 75 14.076 -36.458 7.048 1.00 34.31 H new ATOM 0 HA ALA A 75 12.764 -37.848 4.809 1.00 63.25 H new ATOM 0 HB1 ALA A 75 14.128 -36.312 3.431 1.00 63.10 H new ATOM 0 HB2 ALA A 75 13.112 -35.429 4.595 1.00 63.10 H new ATOM 0 HB3 ALA A 75 14.851 -35.638 4.911 1.00 63.10 H new ATOM 1124 N PRO A 76 14.782 -39.114 3.888 1.00 20.01 N ATOM 1125 CA PRO A 76 15.808 -40.105 3.551 1.00 61.11 C ATOM 1126 C PRO A 76 17.150 -39.461 3.219 1.00 53.31 C ATOM 1127 O PRO A 76 17.317 -38.249 3.355 1.00 44.42 O ATOM 1128 CB PRO A 76 15.232 -40.807 2.318 1.00 2.42 C ATOM 1129 CG PRO A 76 14.315 -39.805 1.706 1.00 11.24 C ATOM 1130 CD PRO A 76 13.742 -39.015 2.850 1.00 11.14 C ATOM 0 HA PRO A 76 16.014 -40.777 4.384 1.00 61.11 H new ATOM 0 HB2 PRO A 76 16.020 -41.098 1.624 1.00 2.42 H new ATOM 0 HB3 PRO A 76 14.698 -41.716 2.593 1.00 2.42 H new ATOM 0 HG2 PRO A 76 14.852 -39.156 1.014 1.00 11.24 H new ATOM 0 HG3 PRO A 76 13.526 -40.295 1.136 1.00 11.24 H new ATOM 0 HD2 PRO A 76 13.553 -37.979 2.568 1.00 11.14 H new ATOM 0 HD3 PRO A 76 12.794 -39.431 3.190 1.00 11.14 H new ATOM 1138 N ASP A 77 18.102 -40.278 2.783 1.00 74.21 N ATOM 1139 CA ASP A 77 19.429 -39.787 2.430 1.00 74.23 C ATOM 1140 C ASP A 77 19.417 -39.134 1.051 1.00 22.11 C ATOM 1141 O ASP A 77 20.431 -38.607 0.595 1.00 64.43 O ATOM 1142 CB ASP A 77 20.443 -40.931 2.457 1.00 22.44 C ATOM 1143 CG ASP A 77 20.933 -41.237 3.859 1.00 30.02 C ATOM 1144 OD1 ASP A 77 22.101 -41.656 4.002 1.00 41.22 O ATOM 1145 OD2 ASP A 77 20.149 -41.057 4.814 1.00 54.32 O ATOM 0 H ASP A 77 17.980 -41.284 2.665 1.00 74.21 H new ATOM 0 HA ASP A 77 19.720 -39.037 3.165 1.00 74.23 H new ATOM 0 HB2 ASP A 77 19.989 -41.825 2.031 1.00 22.44 H new ATOM 0 HB3 ASP A 77 21.294 -40.674 1.826 1.00 22.44 H new ATOM 1150 N ALA A 78 18.263 -39.174 0.393 1.00 45.33 N ATOM 1151 CA ALA A 78 18.120 -38.585 -0.933 1.00 71.21 C ATOM 1152 C ALA A 78 17.239 -37.341 -0.889 1.00 62.10 C ATOM 1153 O ALA A 78 17.339 -36.467 -1.749 1.00 72.33 O ATOM 1154 CB ALA A 78 17.546 -39.606 -1.904 1.00 63.24 C ATOM 0 H ALA A 78 17.414 -39.608 0.756 1.00 45.33 H new ATOM 0 HA ALA A 78 19.109 -38.286 -1.279 1.00 71.21 H new ATOM 0 HB1 ALA A 78 17.444 -39.153 -2.890 1.00 63.24 H new ATOM 0 HB2 ALA A 78 18.214 -40.465 -1.966 1.00 63.24 H new ATOM 0 HB3 ALA A 78 16.567 -39.933 -1.552 1.00 63.24 H new ATOM 1160 N GLY A 79 16.376 -37.268 0.120 1.00 73.14 N ATOM 1161 CA GLY A 79 15.489 -36.127 0.256 1.00 22.20 C ATOM 1162 C GLY A 79 14.034 -36.495 0.044 1.00 21.11 C ATOM 1163 O GLY A 79 13.714 -37.649 -0.240 1.00 60.25 O ATOM 0 H GLY A 79 16.275 -37.978 0.845 1.00 73.14 H new ATOM 0 HA2 GLY A 79 15.610 -35.693 1.249 1.00 22.20 H new ATOM 0 HA3 GLY A 79 15.775 -35.360 -0.464 1.00 22.20 H new ATOM 1167 N TRP A 80 13.151 -35.513 0.184 1.00 21.14 N ATOM 1168 CA TRP A 80 11.721 -35.740 0.008 1.00 62.31 C ATOM 1169 C TRP A 80 11.402 -36.104 -1.438 1.00 42.20 C ATOM 1170 O TRP A 80 10.857 -37.172 -1.714 1.00 11.43 O ATOM 1171 CB TRP A 80 10.932 -34.497 0.420 1.00 13.13 C ATOM 1172 CG TRP A 80 10.977 -34.226 1.894 1.00 72.23 C ATOM 1173 CD1 TRP A 80 11.490 -33.120 2.508 1.00 22.05 C ATOM 1174 CD2 TRP A 80 10.491 -35.078 2.937 1.00 64.42 C ATOM 1175 NE1 TRP A 80 11.353 -33.233 3.871 1.00 21.20 N ATOM 1176 CE2 TRP A 80 10.743 -34.425 4.159 1.00 34.03 C ATOM 1177 CE3 TRP A 80 9.867 -36.328 2.957 1.00 21.42 C ATOM 1178 CZ2 TRP A 80 10.392 -34.982 5.386 1.00 10.23 C ATOM 1179 CZ3 TRP A 80 9.520 -36.880 4.176 1.00 41.21 C ATOM 1180 CH2 TRP A 80 9.782 -36.207 5.377 1.00 42.14 C ATOM 0 H TRP A 80 13.400 -34.552 0.419 1.00 21.14 H new ATOM 0 HA TRP A 80 11.429 -36.574 0.646 1.00 62.31 H new ATOM 0 HB2 TRP A 80 11.326 -33.632 -0.113 1.00 13.13 H new ATOM 0 HB3 TRP A 80 9.893 -34.616 0.111 1.00 13.13 H new ATOM 0 HD1 TRP A 80 11.938 -32.280 1.998 1.00 22.05 H new ATOM 0 HE1 TRP A 80 11.656 -32.541 4.557 1.00 21.20 H new ATOM 0 HE3 TRP A 80 9.659 -36.854 2.037 1.00 21.42 H new ATOM 0 HZ2 TRP A 80 10.594 -34.465 6.313 1.00 10.23 H new ATOM 0 HZ3 TRP A 80 9.039 -37.846 4.203 1.00 41.21 H new ATOM 0 HH2 TRP A 80 9.497 -36.664 6.313 1.00 42.14 H new ATOM 1191 N GLY A 81 11.746 -35.208 -2.359 1.00 30.31 N ATOM 1192 CA GLY A 81 11.488 -35.454 -3.766 1.00 31.34 C ATOM 1193 C GLY A 81 10.077 -35.078 -4.171 1.00 14.33 C ATOM 1194 O GLY A 81 9.382 -34.371 -3.441 1.00 62.24 O ATOM 0 H GLY A 81 12.198 -34.317 -2.156 1.00 30.31 H new ATOM 0 HA2 GLY A 81 12.199 -34.887 -4.367 1.00 31.34 H new ATOM 0 HA3 GLY A 81 11.656 -36.509 -3.984 1.00 31.34 H new ATOM 1198 N ASN A 82 9.652 -35.549 -5.338 1.00 60.45 N ATOM 1199 CA ASN A 82 8.315 -35.256 -5.841 1.00 13.23 C ATOM 1200 C ASN A 82 7.583 -36.539 -6.222 1.00 61.13 C ATOM 1201 O ASN A 82 6.794 -36.559 -7.168 1.00 65.43 O ATOM 1202 CB ASN A 82 8.395 -34.322 -7.050 1.00 60.33 C ATOM 1203 CG ASN A 82 9.565 -33.361 -6.962 1.00 70.43 C ATOM 1204 OD1 ASN A 82 9.684 -32.676 -5.831 1.00 75.44 O flip ATOM 1205 ND2 ASN A 82 10.353 -33.237 -7.900 1.00 73.11 N flip ATOM 0 H ASN A 82 10.215 -36.136 -5.954 1.00 60.45 H new ATOM 0 HA ASN A 82 7.756 -34.763 -5.046 1.00 13.23 H new ATOM 0 HB2 ASN A 82 8.484 -34.916 -7.959 1.00 60.33 H new ATOM 0 HB3 ASN A 82 7.468 -33.755 -7.129 1.00 60.33 H new ATOM 0 HD21 ASN A 82 10.223 -33.784 -8.751 1.00 73.11 H new ATOM 0 HD22 ASN A 82 11.136 -32.587 -7.826 1.00 73.11 H new ATOM 1212 N LEU A 83 7.849 -37.608 -5.480 1.00 62.21 N ATOM 1213 CA LEU A 83 7.216 -38.897 -5.739 1.00 51.54 C ATOM 1214 C LEU A 83 5.899 -39.019 -4.980 1.00 10.25 C ATOM 1215 O LEU A 83 5.460 -38.075 -4.322 1.00 32.54 O ATOM 1216 CB LEU A 83 8.154 -40.037 -5.343 1.00 25.41 C ATOM 1217 CG LEU A 83 8.877 -39.878 -4.005 1.00 4.50 C ATOM 1218 CD1 LEU A 83 10.116 -39.010 -4.168 1.00 13.22 C ATOM 1219 CD2 LEU A 83 7.942 -39.285 -2.961 1.00 22.11 C ATOM 0 H LEU A 83 8.499 -37.608 -4.694 1.00 62.21 H new ATOM 0 HA LEU A 83 7.006 -38.963 -6.807 1.00 51.54 H new ATOM 0 HB2 LEU A 83 7.577 -40.962 -5.314 1.00 25.41 H new ATOM 0 HB3 LEU A 83 8.903 -40.153 -6.126 1.00 25.41 H new ATOM 0 HG LEU A 83 9.191 -40.864 -3.664 1.00 4.50 H new ATOM 0 HD11 LEU A 83 10.618 -38.908 -3.206 1.00 13.22 H new ATOM 0 HD12 LEU A 83 10.794 -39.475 -4.883 1.00 13.22 H new ATOM 0 HD13 LEU A 83 9.825 -38.025 -4.532 1.00 13.22 H new ATOM 0 HD21 LEU A 83 8.473 -39.179 -2.015 1.00 22.11 H new ATOM 0 HD22 LEU A 83 7.597 -38.306 -3.295 1.00 22.11 H new ATOM 0 HD23 LEU A 83 7.085 -39.944 -2.824 1.00 22.11 H new ATOM 1231 N VAL A 84 5.274 -40.188 -5.073 1.00 71.22 N ATOM 1232 CA VAL A 84 4.009 -40.436 -4.392 1.00 53.50 C ATOM 1233 C VAL A 84 4.235 -41.076 -3.027 1.00 64.13 C ATOM 1234 O VAL A 84 5.287 -41.665 -2.773 1.00 55.21 O ATOM 1235 CB VAL A 84 3.090 -41.346 -5.228 1.00 72.00 C ATOM 1236 CG1 VAL A 84 1.671 -41.319 -4.681 1.00 74.24 C ATOM 1237 CG2 VAL A 84 3.115 -40.929 -6.691 1.00 15.44 C ATOM 0 H VAL A 84 5.623 -40.979 -5.614 1.00 71.22 H new ATOM 0 HA VAL A 84 3.526 -39.468 -4.260 1.00 53.50 H new ATOM 0 HB VAL A 84 3.460 -42.369 -5.160 1.00 72.00 H new ATOM 0 HG11 VAL A 84 1.036 -41.968 -5.284 1.00 74.24 H new ATOM 0 HG12 VAL A 84 1.672 -41.670 -3.649 1.00 74.24 H new ATOM 0 HG13 VAL A 84 1.287 -40.300 -4.717 1.00 74.24 H new ATOM 0 HG21 VAL A 84 2.460 -41.583 -7.267 1.00 15.44 H new ATOM 0 HG22 VAL A 84 2.770 -39.899 -6.782 1.00 15.44 H new ATOM 0 HG23 VAL A 84 4.133 -41.006 -7.074 1.00 15.44 H new ATOM 1247 N TYR A 85 3.243 -40.958 -2.152 1.00 51.14 N ATOM 1248 CA TYR A 85 3.334 -41.524 -0.812 1.00 3.12 C ATOM 1249 C TYR A 85 2.042 -42.242 -0.435 1.00 24.45 C ATOM 1250 O TYR A 85 0.954 -41.851 -0.857 1.00 3.13 O ATOM 1251 CB TYR A 85 3.637 -40.425 0.209 1.00 71.43 C ATOM 1252 CG TYR A 85 2.418 -39.954 0.970 1.00 45.11 C ATOM 1253 CD1 TYR A 85 1.943 -40.662 2.067 1.00 64.32 C ATOM 1254 CD2 TYR A 85 1.742 -38.801 0.592 1.00 52.12 C ATOM 1255 CE1 TYR A 85 0.830 -40.236 2.765 1.00 42.20 C ATOM 1256 CE2 TYR A 85 0.629 -38.366 1.285 1.00 72.11 C ATOM 1257 CZ TYR A 85 0.177 -39.087 2.370 1.00 13.05 C ATOM 1258 OH TYR A 85 -0.933 -38.658 3.063 1.00 45.03 O ATOM 0 H TYR A 85 2.366 -40.475 -2.347 1.00 51.14 H new ATOM 0 HA TYR A 85 4.147 -42.250 -0.806 1.00 3.12 H new ATOM 0 HB2 TYR A 85 4.378 -40.794 0.918 1.00 71.43 H new ATOM 0 HB3 TYR A 85 4.084 -39.575 -0.306 1.00 71.43 H new ATOM 0 HD1 TYR A 85 2.453 -41.561 2.379 1.00 64.32 H new ATOM 0 HD2 TYR A 85 2.093 -38.235 -0.258 1.00 52.12 H new ATOM 0 HE1 TYR A 85 0.473 -40.799 3.615 1.00 42.20 H new ATOM 0 HE2 TYR A 85 0.116 -37.466 0.979 1.00 72.11 H new ATOM 0 HH TYR A 85 -1.131 -37.729 2.821 1.00 45.03 H new ATOM 1268 N VAL A 86 2.171 -43.297 0.365 1.00 41.24 N ATOM 1269 CA VAL A 86 1.015 -44.070 0.802 1.00 61.43 C ATOM 1270 C VAL A 86 0.717 -43.828 2.277 1.00 5.11 C ATOM 1271 O VAL A 86 1.611 -43.898 3.121 1.00 14.15 O ATOM 1272 CB VAL A 86 1.230 -45.578 0.574 1.00 62.42 C ATOM 1273 CG1 VAL A 86 -0.028 -46.357 0.926 1.00 53.31 C ATOM 1274 CG2 VAL A 86 1.647 -45.845 -0.865 1.00 21.34 C ATOM 0 H VAL A 86 3.064 -43.635 0.723 1.00 41.24 H new ATOM 0 HA VAL A 86 0.167 -43.736 0.204 1.00 61.43 H new ATOM 0 HB VAL A 86 2.032 -45.916 1.230 1.00 62.42 H new ATOM 0 HG11 VAL A 86 0.144 -47.420 0.758 1.00 53.31 H new ATOM 0 HG12 VAL A 86 -0.278 -46.191 1.974 1.00 53.31 H new ATOM 0 HG13 VAL A 86 -0.853 -46.019 0.298 1.00 53.31 H new ATOM 0 HG21 VAL A 86 1.795 -46.915 -1.008 1.00 21.34 H new ATOM 0 HG22 VAL A 86 0.868 -45.492 -1.541 1.00 21.34 H new ATOM 0 HG23 VAL A 86 2.578 -45.319 -1.078 1.00 21.34 H new ATOM 1284 N VAL A 87 -0.545 -43.543 2.581 1.00 3.45 N ATOM 1285 CA VAL A 87 -0.962 -43.291 3.956 1.00 64.12 C ATOM 1286 C VAL A 87 -1.030 -44.587 4.755 1.00 35.41 C ATOM 1287 O VAL A 87 -1.455 -45.622 4.243 1.00 31.21 O ATOM 1288 CB VAL A 87 -2.335 -42.595 4.007 1.00 22.43 C ATOM 1289 CG1 VAL A 87 -2.221 -41.153 3.539 1.00 44.22 C ATOM 1290 CG2 VAL A 87 -3.350 -43.358 3.169 1.00 23.12 C ATOM 0 H VAL A 87 -1.297 -43.481 1.894 1.00 3.45 H new ATOM 0 HA VAL A 87 -0.214 -42.634 4.399 1.00 64.12 H new ATOM 0 HB VAL A 87 -2.682 -42.589 5.040 1.00 22.43 H new ATOM 0 HG11 VAL A 87 -3.201 -40.678 3.582 1.00 44.22 H new ATOM 0 HG12 VAL A 87 -1.528 -40.614 4.185 1.00 44.22 H new ATOM 0 HG13 VAL A 87 -1.852 -41.131 2.514 1.00 44.22 H new ATOM 0 HG21 VAL A 87 -4.314 -42.852 3.216 1.00 23.12 H new ATOM 0 HG22 VAL A 87 -3.011 -43.397 2.134 1.00 23.12 H new ATOM 0 HG23 VAL A 87 -3.453 -44.372 3.556 1.00 23.12 H new ATOM 1300 N ASN A 88 -0.610 -44.523 6.014 1.00 12.34 N ATOM 1301 CA ASN A 88 -0.624 -45.692 6.886 1.00 71.12 C ATOM 1302 C ASN A 88 -0.903 -45.290 8.331 1.00 61.31 C ATOM 1303 O ASN A 88 -0.557 -44.188 8.758 1.00 73.24 O ATOM 1304 CB ASN A 88 0.711 -46.434 6.800 1.00 62.15 C ATOM 1305 CG ASN A 88 0.636 -47.829 7.389 1.00 63.41 C ATOM 1306 OD1 ASN A 88 0.001 -48.720 6.825 1.00 33.21 O ATOM 1307 ND2 ASN A 88 1.287 -48.025 8.530 1.00 61.22 N ATOM 0 H ASN A 88 -0.256 -43.674 6.454 1.00 12.34 H new ATOM 0 HA ASN A 88 -1.423 -46.354 6.551 1.00 71.12 H new ATOM 0 HB2 ASN A 88 1.021 -46.499 5.757 1.00 62.15 H new ATOM 0 HB3 ASN A 88 1.476 -45.862 7.325 1.00 62.15 H new ATOM 0 HD21 ASN A 88 1.273 -48.943 8.974 1.00 61.22 H new ATOM 0 HD22 ASN A 88 1.801 -47.257 8.962 1.00 61.22 H new ATOM 1314 N TYR A 89 -1.529 -46.191 9.079 1.00 33.42 N ATOM 1315 CA TYR A 89 -1.856 -45.931 10.476 1.00 14.20 C ATOM 1316 C TYR A 89 -2.515 -47.148 11.118 1.00 70.24 C ATOM 1317 O TYR A 89 -3.026 -48.040 10.439 1.00 0.42 O ATOM 1318 CB TYR A 89 -2.782 -44.718 10.587 1.00 32.32 C ATOM 1319 CG TYR A 89 -3.708 -44.553 9.403 1.00 3.50 C ATOM 1320 CD1 TYR A 89 -4.459 -45.621 8.929 1.00 63.14 C ATOM 1321 CD2 TYR A 89 -3.831 -43.328 8.758 1.00 25.20 C ATOM 1322 CE1 TYR A 89 -5.305 -45.475 7.847 1.00 51.35 C ATOM 1323 CE2 TYR A 89 -4.675 -43.172 7.676 1.00 35.24 C ATOM 1324 CZ TYR A 89 -5.410 -44.248 7.224 1.00 34.32 C ATOM 1325 OH TYR A 89 -6.252 -44.097 6.146 1.00 31.41 O ATOM 0 H TYR A 89 -1.820 -47.108 8.741 1.00 33.42 H new ATOM 0 HA TYR A 89 -0.927 -45.722 11.007 1.00 14.20 H new ATOM 0 HB2 TYR A 89 -3.379 -44.809 11.495 1.00 32.32 H new ATOM 0 HB3 TYR A 89 -2.177 -43.818 10.692 1.00 32.32 H new ATOM 0 HD1 TYR A 89 -4.380 -46.582 9.415 1.00 63.14 H new ATOM 0 HD2 TYR A 89 -3.257 -42.483 9.109 1.00 25.20 H new ATOM 0 HE1 TYR A 89 -5.881 -46.316 7.491 1.00 51.35 H new ATOM 0 HE2 TYR A 89 -4.759 -42.213 7.187 1.00 35.24 H new ATOM 0 HH TYR A 89 -6.210 -43.172 5.825 1.00 31.41 H new ATOM 1335 N PRO A 90 -2.504 -47.188 12.458 1.00 10.43 N ATOM 1336 CA PRO A 90 -3.097 -48.289 13.223 1.00 62.13 C ATOM 1337 C PRO A 90 -4.619 -48.301 13.137 1.00 13.42 C ATOM 1338 O PRO A 90 -5.237 -49.359 13.024 1.00 73.41 O ATOM 1339 CB PRO A 90 -2.644 -48.009 14.658 1.00 40.22 C ATOM 1340 CG PRO A 90 -2.407 -46.539 14.700 1.00 45.31 C ATOM 1341 CD PRO A 90 -1.913 -46.160 13.331 1.00 4.32 C ATOM 0 HA PRO A 90 -2.784 -49.262 12.845 1.00 62.13 H new ATOM 0 HB2 PRO A 90 -3.405 -48.308 15.379 1.00 40.22 H new ATOM 0 HB3 PRO A 90 -1.738 -48.563 14.902 1.00 40.22 H new ATOM 0 HG2 PRO A 90 -3.323 -46.003 14.946 1.00 45.31 H new ATOM 0 HG3 PRO A 90 -1.673 -46.284 15.464 1.00 45.31 H new ATOM 0 HD2 PRO A 90 -2.238 -45.158 13.050 1.00 4.32 H new ATOM 0 HD3 PRO A 90 -0.824 -46.167 13.280 1.00 4.32 H new ATOM 1349 N LYS A 91 -5.219 -47.116 13.192 1.00 72.33 N ATOM 1350 CA LYS A 91 -6.670 -46.989 13.119 1.00 41.14 C ATOM 1351 C LYS A 91 -7.074 -45.558 12.779 1.00 0.45 C ATOM 1352 O LYS A 91 -7.965 -45.332 11.960 1.00 4.30 O ATOM 1353 CB LYS A 91 -7.307 -47.409 14.445 1.00 22.12 C ATOM 1354 CG LYS A 91 -6.669 -46.757 15.660 1.00 51.13 C ATOM 1355 CD LYS A 91 -7.209 -47.341 16.954 1.00 22.43 C ATOM 1356 CE LYS A 91 -6.919 -46.433 18.139 1.00 25.24 C ATOM 1357 NZ LYS A 91 -7.847 -45.270 18.188 1.00 73.25 N ATOM 0 H LYS A 91 -4.723 -46.230 13.287 1.00 72.33 H new ATOM 0 HA LYS A 91 -7.028 -47.647 12.327 1.00 41.14 H new ATOM 0 HB2 LYS A 91 -8.368 -47.159 14.424 1.00 22.12 H new ATOM 0 HB3 LYS A 91 -7.237 -48.492 14.545 1.00 22.12 H new ATOM 0 HG2 LYS A 91 -5.588 -46.893 15.622 1.00 51.13 H new ATOM 0 HG3 LYS A 91 -6.856 -45.683 15.638 1.00 51.13 H new ATOM 0 HD2 LYS A 91 -8.285 -47.492 16.865 1.00 22.43 H new ATOM 0 HD3 LYS A 91 -6.762 -48.320 17.127 1.00 22.43 H new ATOM 0 HE2 LYS A 91 -7.004 -47.004 19.063 1.00 25.24 H new ATOM 0 HE3 LYS A 91 -5.891 -46.075 18.079 1.00 25.24 H new ATOM 0 HZ1 LYS A 91 -7.649 -44.704 19.038 1.00 73.25 H new ATOM 0 HZ2 LYS A 91 -7.712 -44.682 17.341 1.00 73.25 H new ATOM 0 HZ3 LYS A 91 -8.829 -45.611 18.220 1.00 73.25 H new ATOM 1371 N ASP A 92 -6.413 -44.595 13.413 1.00 31.33 N ATOM 1372 CA ASP A 92 -6.702 -43.186 13.177 1.00 41.45 C ATOM 1373 C ASP A 92 -5.640 -42.298 13.818 1.00 65.14 C ATOM 1374 O ASP A 92 -4.931 -41.566 13.129 1.00 43.32 O ATOM 1375 CB ASP A 92 -8.083 -42.827 13.726 1.00 14.31 C ATOM 1376 CG ASP A 92 -8.971 -42.178 12.682 1.00 1.54 C ATOM 1377 OD1 ASP A 92 -9.431 -41.040 12.918 1.00 22.54 O ATOM 1378 OD2 ASP A 92 -9.205 -42.806 11.629 1.00 21.12 O ATOM 0 H ASP A 92 -5.673 -44.765 14.094 1.00 31.33 H new ATOM 0 HA ASP A 92 -6.692 -43.015 12.101 1.00 41.45 H new ATOM 0 HB2 ASP A 92 -8.567 -43.729 14.101 1.00 14.31 H new ATOM 0 HB3 ASP A 92 -7.969 -42.151 14.573 1.00 14.31 H new ATOM 1383 N ASN A 93 -5.536 -42.369 15.141 1.00 53.12 N ATOM 1384 CA ASN A 93 -4.562 -41.571 15.875 1.00 4.52 C ATOM 1385 C ASN A 93 -4.800 -40.080 15.652 1.00 61.34 C ATOM 1386 O ASN A 93 -4.079 -39.431 14.893 1.00 24.55 O ATOM 1387 CB ASN A 93 -3.141 -41.941 15.446 1.00 65.20 C ATOM 1388 CG ASN A 93 -2.091 -41.410 16.403 1.00 65.13 C ATOM 1389 OD1 ASN A 93 -1.362 -40.470 16.083 1.00 33.32 O ATOM 1390 ND2 ASN A 93 -2.008 -42.012 17.584 1.00 50.43 N ATOM 0 H ASN A 93 -6.115 -42.971 15.726 1.00 53.12 H new ATOM 0 HA ASN A 93 -4.682 -41.785 16.937 1.00 4.52 H new ATOM 0 HB2 ASN A 93 -3.055 -43.026 15.382 1.00 65.20 H new ATOM 0 HB3 ASN A 93 -2.951 -41.546 14.448 1.00 65.20 H new ATOM 0 HD21 ASN A 93 -1.320 -41.699 18.269 1.00 50.43 H new ATOM 0 HD22 ASN A 93 -2.633 -42.787 17.806 1.00 50.43 H new ATOM 1397 N LYS A 94 -5.817 -39.543 16.317 1.00 5.13 N ATOM 1398 CA LYS A 94 -6.150 -38.129 16.194 1.00 14.12 C ATOM 1399 C LYS A 94 -5.141 -37.264 16.943 1.00 60.43 C ATOM 1400 O LYS A 94 -4.195 -37.776 17.541 1.00 25.01 O ATOM 1401 CB LYS A 94 -7.559 -37.868 16.732 1.00 53.24 C ATOM 1402 CG LYS A 94 -8.659 -38.169 15.728 1.00 63.11 C ATOM 1403 CD LYS A 94 -10.034 -37.864 16.298 1.00 4.34 C ATOM 1404 CE LYS A 94 -10.707 -39.119 16.832 1.00 50.21 C ATOM 1405 NZ LYS A 94 -10.363 -39.369 18.259 1.00 13.21 N ATOM 0 H LYS A 94 -6.425 -40.066 16.947 1.00 5.13 H new ATOM 0 HA LYS A 94 -6.115 -37.864 15.137 1.00 14.12 H new ATOM 0 HB2 LYS A 94 -7.717 -38.475 17.624 1.00 53.24 H new ATOM 0 HB3 LYS A 94 -7.634 -36.825 17.039 1.00 53.24 H new ATOM 0 HG2 LYS A 94 -8.500 -37.580 14.825 1.00 63.11 H new ATOM 0 HG3 LYS A 94 -8.610 -39.218 15.437 1.00 63.11 H new ATOM 0 HD2 LYS A 94 -9.942 -37.130 17.099 1.00 4.34 H new ATOM 0 HD3 LYS A 94 -10.658 -37.416 15.525 1.00 4.34 H new ATOM 0 HE2 LYS A 94 -11.788 -39.022 16.731 1.00 50.21 H new ATOM 0 HE3 LYS A 94 -10.406 -39.977 16.230 1.00 50.21 H new ATOM 0 HZ1 LYS A 94 -9.970 -40.327 18.359 1.00 13.21 H new ATOM 0 HZ2 LYS A 94 -9.659 -38.671 18.574 1.00 13.21 H new ATOM 0 HZ3 LYS A 94 -11.220 -39.284 18.843 1.00 13.21 H new ATOM 1419 N ARG A 95 -5.350 -35.952 16.906 1.00 70.41 N ATOM 1420 CA ARG A 95 -4.458 -35.017 17.581 1.00 32.52 C ATOM 1421 C ARG A 95 -5.086 -33.629 17.662 1.00 32.22 C ATOM 1422 O ARG A 95 -5.102 -33.004 18.722 1.00 2.54 O ATOM 1423 CB ARG A 95 -3.117 -34.940 16.850 1.00 61.24 C ATOM 1424 CG ARG A 95 -2.086 -34.077 17.558 1.00 42.33 C ATOM 1425 CD ARG A 95 -0.761 -34.807 17.715 1.00 50.35 C ATOM 1426 NE ARG A 95 0.359 -33.882 17.862 1.00 5.33 N ATOM 1427 CZ ARG A 95 0.874 -33.184 16.856 1.00 51.11 C ATOM 1428 NH1 ARG A 95 0.371 -33.305 15.635 1.00 32.12 N ATOM 1429 NH2 ARG A 95 1.894 -32.362 17.070 1.00 74.14 N ATOM 0 H ARG A 95 -6.129 -35.513 16.416 1.00 70.41 H new ATOM 0 HA ARG A 95 -4.291 -35.381 18.595 1.00 32.52 H new ATOM 0 HB2 ARG A 95 -2.717 -35.948 16.735 1.00 61.24 H new ATOM 0 HB3 ARG A 95 -3.282 -34.546 15.847 1.00 61.24 H new ATOM 0 HG2 ARG A 95 -1.931 -33.157 16.994 1.00 42.33 H new ATOM 0 HG3 ARG A 95 -2.463 -33.790 18.540 1.00 42.33 H new ATOM 0 HD2 ARG A 95 -0.808 -35.461 18.586 1.00 50.35 H new ATOM 0 HD3 ARG A 95 -0.593 -35.444 16.847 1.00 50.35 H new ATOM 0 HE ARG A 95 0.769 -33.765 18.789 1.00 5.33 H new ATOM 0 HH11 ARG A 95 -0.413 -33.935 15.467 1.00 32.12 H new ATOM 0 HH12 ARG A 95 0.768 -32.768 14.864 1.00 32.12 H new ATOM 0 HH21 ARG A 95 2.283 -32.266 18.008 1.00 74.14 H new ATOM 0 HH22 ARG A 95 2.288 -31.827 16.297 1.00 74.14 H new ATOM 1443 N LYS A 96 -5.603 -33.153 16.535 1.00 50.43 N ATOM 1444 CA LYS A 96 -6.233 -31.839 16.476 1.00 32.05 C ATOM 1445 C LYS A 96 -5.239 -30.742 16.843 1.00 41.22 C ATOM 1446 O LYS A 96 -4.097 -31.022 17.206 1.00 32.34 O ATOM 1447 CB LYS A 96 -7.437 -31.786 17.419 1.00 35.24 C ATOM 1448 CG LYS A 96 -8.775 -31.787 16.699 1.00 44.51 C ATOM 1449 CD LYS A 96 -9.264 -30.373 16.432 1.00 74.23 C ATOM 1450 CE LYS A 96 -9.470 -30.126 14.945 1.00 21.20 C ATOM 1451 NZ LYS A 96 -10.697 -29.324 14.680 1.00 24.53 N ATOM 0 H LYS A 96 -5.598 -33.658 15.649 1.00 50.43 H new ATOM 0 HA LYS A 96 -6.571 -31.671 15.453 1.00 32.05 H new ATOM 0 HB2 LYS A 96 -7.397 -32.641 18.094 1.00 35.24 H new ATOM 0 HB3 LYS A 96 -7.366 -30.890 18.035 1.00 35.24 H new ATOM 0 HG2 LYS A 96 -8.682 -32.325 15.756 1.00 44.51 H new ATOM 0 HG3 LYS A 96 -9.512 -32.321 17.299 1.00 44.51 H new ATOM 0 HD2 LYS A 96 -10.201 -30.204 16.963 1.00 74.23 H new ATOM 0 HD3 LYS A 96 -8.542 -29.657 16.824 1.00 74.23 H new ATOM 0 HE2 LYS A 96 -8.602 -29.606 14.540 1.00 21.20 H new ATOM 0 HE3 LYS A 96 -9.541 -31.081 14.425 1.00 21.20 H new ATOM 0 HZ1 LYS A 96 -10.802 -29.178 13.656 1.00 24.53 H new ATOM 0 HZ2 LYS A 96 -11.529 -29.831 15.044 1.00 24.53 H new ATOM 0 HZ3 LYS A 96 -10.619 -28.402 15.155 1.00 24.53 H new ATOM 1465 N MET A 97 -5.681 -29.492 16.746 1.00 71.35 N ATOM 1466 CA MET A 97 -4.830 -28.353 17.070 1.00 62.54 C ATOM 1467 C MET A 97 -3.628 -28.289 16.133 1.00 61.14 C ATOM 1468 O MET A 97 -2.525 -28.701 16.493 1.00 32.11 O ATOM 1469 CB MET A 97 -4.355 -28.441 18.521 1.00 13.14 C ATOM 1470 CG MET A 97 -3.839 -27.122 19.073 1.00 51.35 C ATOM 1471 SD MET A 97 -4.509 -26.740 20.703 1.00 61.25 S ATOM 1472 CE MET A 97 -5.262 -25.145 20.394 1.00 2.53 C ATOM 0 H MET A 97 -6.623 -29.242 16.446 1.00 71.35 H new ATOM 0 HA MET A 97 -5.418 -27.444 16.942 1.00 62.54 H new ATOM 0 HB2 MET A 97 -5.179 -28.789 19.144 1.00 13.14 H new ATOM 0 HB3 MET A 97 -3.565 -29.189 18.591 1.00 13.14 H new ATOM 0 HG2 MET A 97 -2.751 -27.158 19.131 1.00 51.35 H new ATOM 0 HG3 MET A 97 -4.095 -26.319 18.382 1.00 51.35 H new ATOM 0 HE1 MET A 97 -5.721 -24.775 21.311 1.00 2.53 H new ATOM 0 HE2 MET A 97 -4.499 -24.441 20.060 1.00 2.53 H new ATOM 0 HE3 MET A 97 -6.025 -25.246 19.622 1.00 2.53 H new ATOM 1482 N ASP A 98 -3.848 -27.771 14.930 1.00 54.44 N ATOM 1483 CA ASP A 98 -2.783 -27.652 13.941 1.00 2.11 C ATOM 1484 C ASP A 98 -2.625 -26.205 13.483 1.00 31.23 C ATOM 1485 O ASP A 98 -3.442 -25.347 13.815 1.00 30.13 O ATOM 1486 CB ASP A 98 -3.071 -28.552 12.739 1.00 51.15 C ATOM 1487 CG ASP A 98 -4.286 -28.098 11.954 1.00 51.03 C ATOM 1488 OD1 ASP A 98 -5.344 -27.870 12.577 1.00 52.20 O ATOM 1489 OD2 ASP A 98 -4.179 -27.970 10.716 1.00 22.03 O ATOM 0 H ASP A 98 -4.755 -27.426 14.616 1.00 54.44 H new ATOM 0 HA ASP A 98 -1.851 -27.970 14.408 1.00 2.11 H new ATOM 0 HB2 ASP A 98 -2.201 -28.565 12.082 1.00 51.15 H new ATOM 0 HB3 ASP A 98 -3.226 -29.575 13.083 1.00 51.15 H new ATOM 1494 N GLU A 99 -1.568 -25.943 12.720 1.00 35.13 N ATOM 1495 CA GLU A 99 -1.303 -24.600 12.219 1.00 14.31 C ATOM 1496 C GLU A 99 -1.147 -24.606 10.701 1.00 30.32 C ATOM 1497 O GLU A 99 -1.146 -25.664 10.070 1.00 53.55 O ATOM 1498 CB GLU A 99 -0.042 -24.028 12.870 1.00 32.12 C ATOM 1499 CG GLU A 99 1.204 -24.860 12.618 1.00 73.31 C ATOM 1500 CD GLU A 99 2.434 -24.009 12.369 1.00 15.21 C ATOM 1501 OE1 GLU A 99 2.753 -23.163 13.231 1.00 61.21 O ATOM 1502 OE2 GLU A 99 3.076 -24.187 11.313 1.00 31.54 O ATOM 0 H GLU A 99 -0.882 -26.643 12.436 1.00 35.13 H new ATOM 0 HA GLU A 99 -2.154 -23.970 12.477 1.00 14.31 H new ATOM 0 HB2 GLU A 99 0.124 -23.018 12.495 1.00 32.12 H new ATOM 0 HB3 GLU A 99 -0.203 -23.947 13.945 1.00 32.12 H new ATOM 0 HG2 GLU A 99 1.383 -25.508 13.476 1.00 73.31 H new ATOM 0 HG3 GLU A 99 1.035 -25.508 11.758 1.00 73.31 H new ATOM 1509 N THR A 100 -1.015 -23.418 10.120 1.00 11.45 N ATOM 1510 CA THR A 100 -0.860 -23.285 8.677 1.00 2.15 C ATOM 1511 C THR A 100 -0.172 -21.973 8.317 1.00 62.32 C ATOM 1512 O THR A 100 -0.348 -20.962 8.996 1.00 1.30 O ATOM 1513 CB THR A 100 -2.220 -23.353 7.957 1.00 22.05 C ATOM 1514 OG1 THR A 100 -3.278 -23.443 8.918 1.00 54.34 O ATOM 1515 CG2 THR A 100 -2.276 -24.549 7.020 1.00 73.35 C ATOM 0 H THR A 100 -1.012 -22.533 10.627 1.00 11.45 H new ATOM 0 HA THR A 100 -0.241 -24.119 8.347 1.00 2.15 H new ATOM 0 HB THR A 100 -2.341 -22.444 7.368 1.00 22.05 H new ATOM 0 HG1 THR A 100 -4.140 -23.484 8.453 1.00 54.34 H new ATOM 0 HG21 THR A 100 -3.246 -24.577 6.523 1.00 73.35 H new ATOM 0 HG22 THR A 100 -1.487 -24.463 6.273 1.00 73.35 H new ATOM 0 HG23 THR A 100 -2.135 -25.466 7.592 1.00 73.35 H new ATOM 1523 N ASP A 101 0.611 -21.997 7.244 1.00 24.11 N ATOM 1524 CA ASP A 101 1.325 -20.808 6.792 1.00 71.41 C ATOM 1525 C ASP A 101 2.123 -21.103 5.526 1.00 42.43 C ATOM 1526 O ASP A 101 2.193 -22.246 5.076 1.00 50.12 O ATOM 1527 CB ASP A 101 2.258 -20.299 7.891 1.00 2.42 C ATOM 1528 CG ASP A 101 1.767 -19.007 8.514 1.00 3.33 C ATOM 1529 OD1 ASP A 101 1.385 -19.029 9.703 1.00 1.33 O ATOM 1530 OD2 ASP A 101 1.766 -17.973 7.813 1.00 21.44 O ATOM 0 H ASP A 101 0.767 -22.826 6.671 1.00 24.11 H new ATOM 0 HA ASP A 101 0.589 -20.036 6.565 1.00 71.41 H new ATOM 0 HB2 ASP A 101 2.351 -21.060 8.666 1.00 2.42 H new ATOM 0 HB3 ASP A 101 3.254 -20.143 7.475 1.00 2.42 H new ATOM 1535 N ALA A 102 2.723 -20.063 4.955 1.00 11.33 N ATOM 1536 CA ALA A 102 3.517 -20.210 3.742 1.00 52.13 C ATOM 1537 C ALA A 102 4.436 -19.011 3.539 1.00 44.55 C ATOM 1538 O ALA A 102 4.153 -17.911 4.014 1.00 75.12 O ATOM 1539 CB ALA A 102 2.608 -20.391 2.535 1.00 12.11 C ATOM 0 H ALA A 102 2.674 -19.109 5.314 1.00 11.33 H new ATOM 0 HA ALA A 102 4.140 -21.098 3.850 1.00 52.13 H new ATOM 0 HB1 ALA A 102 3.214 -20.500 1.636 1.00 12.11 H new ATOM 0 HB2 ALA A 102 1.997 -21.283 2.670 1.00 12.11 H new ATOM 0 HB3 ALA A 102 1.961 -19.520 2.433 1.00 12.11 H new ATOM 1545 N SER A 103 5.539 -19.230 2.830 1.00 5.31 N ATOM 1546 CA SER A 103 6.503 -18.167 2.568 1.00 63.41 C ATOM 1547 C SER A 103 6.401 -17.685 1.124 1.00 21.21 C ATOM 1548 O SER A 103 6.353 -18.488 0.192 1.00 52.20 O ATOM 1549 CB SER A 103 7.924 -18.657 2.855 1.00 42.22 C ATOM 1550 OG SER A 103 8.673 -17.672 3.546 1.00 32.23 O ATOM 0 H SER A 103 5.787 -20.133 2.427 1.00 5.31 H new ATOM 0 HA SER A 103 6.274 -17.331 3.229 1.00 63.41 H new ATOM 0 HB2 SER A 103 7.884 -19.571 3.448 1.00 42.22 H new ATOM 0 HB3 SER A 103 8.422 -18.907 1.918 1.00 42.22 H new ATOM 0 HG SER A 103 9.577 -18.010 3.719 1.00 32.23 H new ATOM 1556 N SER A 104 6.369 -16.368 0.948 1.00 74.25 N ATOM 1557 CA SER A 104 6.268 -15.777 -0.382 1.00 22.41 C ATOM 1558 C SER A 104 7.653 -15.528 -0.971 1.00 40.14 C ATOM 1559 O SER A 104 8.096 -16.244 -1.869 1.00 32.12 O ATOM 1560 CB SER A 104 5.483 -14.466 -0.322 1.00 51.22 C ATOM 1561 OG SER A 104 4.132 -14.663 -0.702 1.00 11.50 O ATOM 0 H SER A 104 6.411 -15.690 1.709 1.00 74.25 H new ATOM 0 HA SER A 104 5.739 -16.479 -1.026 1.00 22.41 H new ATOM 0 HB2 SER A 104 5.524 -14.060 0.689 1.00 51.22 H new ATOM 0 HB3 SER A 104 5.946 -13.731 -0.980 1.00 51.22 H new ATOM 0 HG SER A 104 3.651 -13.811 -0.654 1.00 11.50 H new ATOM 1567 N ALA A 105 8.332 -14.506 -0.460 1.00 33.34 N ATOM 1568 CA ALA A 105 9.667 -14.162 -0.933 1.00 33.30 C ATOM 1569 C ALA A 105 9.678 -13.960 -2.444 1.00 61.13 C ATOM 1570 O ALA A 105 9.915 -14.899 -3.205 1.00 10.13 O ATOM 1571 CB ALA A 105 10.662 -15.242 -0.535 1.00 61.25 C ATOM 0 H ALA A 105 7.979 -13.902 0.282 1.00 33.34 H new ATOM 0 HA ALA A 105 9.961 -13.223 -0.465 1.00 33.30 H new ATOM 0 HB1 ALA A 105 11.655 -14.972 -0.895 1.00 61.25 H new ATOM 0 HB2 ALA A 105 10.682 -15.336 0.551 1.00 61.25 H new ATOM 0 HB3 ALA A 105 10.362 -16.193 -0.976 1.00 61.25 H new ATOM 1577 N VAL A 106 9.420 -12.729 -2.874 1.00 40.10 N ATOM 1578 CA VAL A 106 9.401 -12.403 -4.295 1.00 60.41 C ATOM 1579 C VAL A 106 10.783 -11.980 -4.780 1.00 72.25 C ATOM 1580 O VAL A 106 11.484 -11.222 -4.110 1.00 31.44 O ATOM 1581 CB VAL A 106 8.395 -11.278 -4.600 1.00 11.43 C ATOM 1582 CG1 VAL A 106 8.389 -10.954 -6.086 1.00 30.21 C ATOM 1583 CG2 VAL A 106 7.003 -11.665 -4.124 1.00 53.13 C ATOM 0 H VAL A 106 9.221 -11.941 -2.258 1.00 40.10 H new ATOM 0 HA VAL A 106 9.095 -13.306 -4.823 1.00 60.41 H new ATOM 0 HB VAL A 106 8.703 -10.383 -4.060 1.00 11.43 H new ATOM 0 HG11 VAL A 106 7.672 -10.157 -6.282 1.00 30.21 H new ATOM 0 HG12 VAL A 106 9.384 -10.630 -6.392 1.00 30.21 H new ATOM 0 HG13 VAL A 106 8.107 -11.842 -6.651 1.00 30.21 H new ATOM 0 HG21 VAL A 106 6.305 -10.858 -4.348 1.00 53.13 H new ATOM 0 HG22 VAL A 106 6.683 -12.574 -4.634 1.00 53.13 H new ATOM 0 HG23 VAL A 106 7.022 -11.841 -3.048 1.00 53.13 H new ATOM 1593 N LYS A 107 11.169 -12.474 -5.952 1.00 24.43 N ATOM 1594 CA LYS A 107 12.467 -12.147 -6.530 1.00 42.01 C ATOM 1595 C LYS A 107 12.304 -11.299 -7.787 1.00 43.42 C ATOM 1596 O LYS A 107 11.300 -11.401 -8.492 1.00 32.33 O ATOM 1597 CB LYS A 107 13.238 -13.427 -6.862 1.00 2.41 C ATOM 1598 CG LYS A 107 13.648 -14.225 -5.636 1.00 51.14 C ATOM 1599 CD LYS A 107 13.581 -15.720 -5.897 1.00 62.41 C ATOM 1600 CE LYS A 107 12.149 -16.230 -5.853 1.00 30.54 C ATOM 1601 NZ LYS A 107 11.857 -16.953 -4.584 1.00 33.13 N ATOM 0 H LYS A 107 10.601 -13.102 -6.520 1.00 24.43 H new ATOM 0 HA LYS A 107 13.030 -11.572 -5.795 1.00 42.01 H new ATOM 0 HB2 LYS A 107 12.622 -14.056 -7.505 1.00 2.41 H new ATOM 0 HB3 LYS A 107 14.131 -13.166 -7.431 1.00 2.41 H new ATOM 0 HG2 LYS A 107 14.662 -13.951 -5.344 1.00 51.14 H new ATOM 0 HG3 LYS A 107 12.996 -13.971 -4.800 1.00 51.14 H new ATOM 0 HD2 LYS A 107 14.017 -15.940 -6.871 1.00 62.41 H new ATOM 0 HD3 LYS A 107 14.179 -16.247 -5.154 1.00 62.41 H new ATOM 0 HE2 LYS A 107 11.461 -15.391 -5.960 1.00 30.54 H new ATOM 0 HE3 LYS A 107 11.974 -16.895 -6.699 1.00 30.54 H new ATOM 0 HZ1 LYS A 107 11.419 -17.871 -4.800 1.00 33.13 H new ATOM 0 HZ2 LYS A 107 12.742 -17.107 -4.060 1.00 33.13 H new ATOM 0 HZ3 LYS A 107 11.205 -16.387 -4.004 1.00 33.13 H new ATOM 1615 N VAL A 108 13.299 -10.462 -8.064 1.00 1.51 N ATOM 1616 CA VAL A 108 13.267 -9.597 -9.238 1.00 30.41 C ATOM 1617 C VAL A 108 13.905 -10.282 -10.442 1.00 15.23 C ATOM 1618 O VAL A 108 14.898 -10.998 -10.309 1.00 54.44 O ATOM 1619 CB VAL A 108 13.994 -8.265 -8.974 1.00 74.22 C ATOM 1620 CG1 VAL A 108 13.885 -7.349 -10.184 1.00 23.23 C ATOM 1621 CG2 VAL A 108 13.433 -7.590 -7.732 1.00 10.23 C ATOM 0 H VAL A 108 14.137 -10.364 -7.491 1.00 1.51 H new ATOM 0 HA VAL A 108 12.218 -9.393 -9.453 1.00 30.41 H new ATOM 0 HB VAL A 108 15.050 -8.474 -8.801 1.00 74.22 H new ATOM 0 HG11 VAL A 108 14.404 -6.413 -9.980 1.00 23.23 H new ATOM 0 HG12 VAL A 108 14.338 -7.834 -11.049 1.00 23.23 H new ATOM 0 HG13 VAL A 108 12.835 -7.144 -10.391 1.00 23.23 H new ATOM 0 HG21 VAL A 108 13.958 -6.650 -7.560 1.00 10.23 H new ATOM 0 HG22 VAL A 108 12.371 -7.392 -7.874 1.00 10.23 H new ATOM 0 HG23 VAL A 108 13.568 -8.244 -6.870 1.00 10.23 H new ATOM 1631 N LYS A 109 13.328 -10.057 -11.617 1.00 75.13 N ATOM 1632 CA LYS A 109 13.839 -10.650 -12.847 1.00 63.11 C ATOM 1633 C LYS A 109 15.054 -9.882 -13.357 1.00 4.11 C ATOM 1634 O LYS A 109 16.178 -10.384 -13.320 1.00 50.23 O ATOM 1635 CB LYS A 109 12.748 -10.670 -13.920 1.00 64.42 C ATOM 1636 CG LYS A 109 13.239 -11.145 -15.277 1.00 72.11 C ATOM 1637 CD LYS A 109 13.680 -12.598 -15.233 1.00 60.44 C ATOM 1638 CE LYS A 109 13.752 -13.201 -16.628 1.00 62.20 C ATOM 1639 NZ LYS A 109 13.640 -14.686 -16.597 1.00 41.21 N ATOM 0 H LYS A 109 12.505 -9.468 -11.744 1.00 75.13 H new ATOM 0 HA LYS A 109 14.143 -11.674 -12.628 1.00 63.11 H new ATOM 0 HB2 LYS A 109 11.936 -11.318 -13.589 1.00 64.42 H new ATOM 0 HB3 LYS A 109 12.333 -9.667 -14.023 1.00 64.42 H new ATOM 0 HG2 LYS A 109 12.445 -11.027 -16.014 1.00 72.11 H new ATOM 0 HG3 LYS A 109 14.071 -10.521 -15.603 1.00 72.11 H new ATOM 0 HD2 LYS A 109 14.657 -12.669 -14.754 1.00 60.44 H new ATOM 0 HD3 LYS A 109 12.983 -13.173 -14.623 1.00 60.44 H new ATOM 0 HE2 LYS A 109 12.952 -12.789 -17.243 1.00 62.20 H new ATOM 0 HE3 LYS A 109 14.694 -12.918 -17.098 1.00 62.20 H new ATOM 0 HZ1 LYS A 109 13.693 -15.058 -17.567 1.00 41.21 H new ATOM 0 HZ2 LYS A 109 14.418 -15.081 -16.031 1.00 41.21 H new ATOM 0 HZ3 LYS A 109 12.730 -14.957 -16.172 1.00 41.21 H new ATOM 1653 N ARG A 110 14.822 -8.662 -13.831 1.00 33.14 N ATOM 1654 CA ARG A 110 15.898 -7.825 -14.347 1.00 73.02 C ATOM 1655 C ARG A 110 16.572 -8.485 -15.547 1.00 13.22 C ATOM 1656 O ARG A 110 16.289 -9.637 -15.874 1.00 25.25 O ATOM 1657 CB ARG A 110 16.932 -7.554 -13.253 1.00 51.21 C ATOM 1658 CG ARG A 110 17.409 -6.111 -13.210 1.00 35.24 C ATOM 1659 CD ARG A 110 18.915 -6.028 -13.017 1.00 54.31 C ATOM 1660 NE ARG A 110 19.359 -6.776 -11.844 1.00 71.34 N ATOM 1661 CZ ARG A 110 20.621 -6.816 -11.433 1.00 2.03 C ATOM 1662 NH1 ARG A 110 21.559 -6.153 -12.095 1.00 1.21 N ATOM 1663 NH2 ARG A 110 20.947 -7.520 -10.356 1.00 44.31 N ATOM 0 H ARG A 110 13.898 -8.231 -13.868 1.00 33.14 H new ATOM 0 HA ARG A 110 15.465 -6.878 -14.670 1.00 73.02 H new ATOM 0 HB2 ARG A 110 16.502 -7.815 -12.286 1.00 51.21 H new ATOM 0 HB3 ARG A 110 17.791 -8.207 -13.407 1.00 51.21 H new ATOM 0 HG2 ARG A 110 17.131 -5.607 -14.136 1.00 35.24 H new ATOM 0 HG3 ARG A 110 16.907 -5.585 -12.398 1.00 35.24 H new ATOM 0 HD2 ARG A 110 19.416 -6.415 -13.904 1.00 54.31 H new ATOM 0 HD3 ARG A 110 19.210 -4.984 -12.914 1.00 54.31 H new ATOM 0 HE ARG A 110 18.662 -7.296 -11.311 1.00 71.34 H new ATOM 0 HH11 ARG A 110 21.312 -5.610 -12.923 1.00 1.21 H new ATOM 0 HH12 ARG A 110 22.528 -6.186 -11.777 1.00 1.21 H new ATOM 0 HH21 ARG A 110 20.228 -8.031 -9.844 1.00 44.31 H new ATOM 0 HH22 ARG A 110 21.917 -7.550 -10.041 1.00 44.31 H new ATOM 1677 N ALA A 111 17.463 -7.745 -16.199 1.00 20.52 N ATOM 1678 CA ALA A 111 18.178 -8.259 -17.361 1.00 10.14 C ATOM 1679 C ALA A 111 19.210 -7.253 -17.859 1.00 11.11 C ATOM 1680 O ALA A 111 19.358 -6.169 -17.294 1.00 25.20 O ATOM 1681 CB ALA A 111 17.198 -8.607 -18.472 1.00 24.25 C ATOM 0 H ALA A 111 17.707 -6.788 -15.943 1.00 20.52 H new ATOM 0 HA ALA A 111 18.706 -9.164 -17.061 1.00 10.14 H new ATOM 0 HB1 ALA A 111 17.745 -8.990 -19.333 1.00 24.25 H new ATOM 0 HB2 ALA A 111 16.502 -9.367 -18.118 1.00 24.25 H new ATOM 0 HB3 ALA A 111 16.644 -7.714 -18.761 1.00 24.25 H new ATOM 1687 N VAL A 112 19.922 -7.619 -18.920 1.00 51.31 N ATOM 1688 CA VAL A 112 20.940 -6.748 -19.495 1.00 2.32 C ATOM 1689 C VAL A 112 21.030 -6.930 -21.006 1.00 1.22 C ATOM 1690 O VAL A 112 20.283 -7.713 -21.591 1.00 64.52 O ATOM 1691 CB VAL A 112 22.324 -7.016 -18.873 1.00 52.23 C ATOM 1692 CG1 VAL A 112 22.334 -6.623 -17.404 1.00 24.12 C ATOM 1693 CG2 VAL A 112 22.711 -8.477 -19.046 1.00 41.32 C ATOM 0 H VAL A 112 19.813 -8.513 -19.399 1.00 51.31 H new ATOM 0 HA VAL A 112 20.642 -5.723 -19.273 1.00 2.32 H new ATOM 0 HB VAL A 112 23.062 -6.405 -19.392 1.00 52.23 H new ATOM 0 HG11 VAL A 112 23.319 -6.819 -16.982 1.00 24.12 H new ATOM 0 HG12 VAL A 112 22.104 -5.562 -17.310 1.00 24.12 H new ATOM 0 HG13 VAL A 112 21.586 -7.206 -16.866 1.00 24.12 H new ATOM 0 HG21 VAL A 112 23.691 -8.649 -18.601 1.00 41.32 H new ATOM 0 HG22 VAL A 112 21.973 -9.110 -18.553 1.00 41.32 H new ATOM 0 HG23 VAL A 112 22.747 -8.721 -20.108 1.00 41.32 H new ATOM 1703 N GLN A 113 21.949 -6.201 -21.630 1.00 42.25 N ATOM 1704 CA GLN A 113 22.136 -6.282 -23.074 1.00 63.12 C ATOM 1705 C GLN A 113 23.593 -6.576 -23.419 1.00 13.23 C ATOM 1706 O GLN A 113 24.492 -5.812 -23.065 1.00 73.52 O ATOM 1707 CB GLN A 113 21.695 -4.978 -23.741 1.00 60.12 C ATOM 1708 CG GLN A 113 21.231 -5.156 -25.178 1.00 30.22 C ATOM 1709 CD GLN A 113 19.969 -5.989 -25.284 1.00 71.34 C ATOM 1710 OE1 GLN A 113 18.993 -5.753 -24.571 1.00 42.14 O ATOM 1711 NE2 GLN A 113 19.981 -6.971 -26.178 1.00 61.31 N ATOM 0 H GLN A 113 22.575 -5.548 -21.159 1.00 42.25 H new ATOM 0 HA GLN A 113 21.521 -7.100 -23.449 1.00 63.12 H new ATOM 0 HB2 GLN A 113 20.886 -4.537 -23.159 1.00 60.12 H new ATOM 0 HB3 GLN A 113 22.524 -4.271 -23.721 1.00 60.12 H new ATOM 0 HG2 GLN A 113 21.054 -4.177 -25.623 1.00 30.22 H new ATOM 0 HG3 GLN A 113 22.024 -5.630 -25.756 1.00 30.22 H new ATOM 0 HE21 GLN A 113 20.811 -7.131 -26.748 1.00 61.31 H new ATOM 0 HE22 GLN A 113 19.160 -7.565 -26.294 1.00 61.31 H new ATOM 1720 N LYS A 114 23.819 -7.687 -24.111 1.00 22.23 N ATOM 1721 CA LYS A 114 25.166 -8.083 -24.505 1.00 2.35 C ATOM 1722 C LYS A 114 26.052 -8.290 -23.280 1.00 44.44 C ATOM 1723 O LYS A 114 27.065 -8.987 -23.346 1.00 2.22 O ATOM 1724 CB LYS A 114 25.783 -7.024 -25.421 1.00 4.21 C ATOM 1725 CG LYS A 114 27.061 -7.480 -26.104 1.00 72.41 C ATOM 1726 CD LYS A 114 28.294 -7.009 -25.352 1.00 64.51 C ATOM 1727 CE LYS A 114 29.414 -6.621 -26.306 1.00 12.34 C ATOM 1728 NZ LYS A 114 29.709 -5.162 -26.249 1.00 72.24 N ATOM 0 H LYS A 114 23.086 -8.330 -24.411 1.00 22.23 H new ATOM 0 HA LYS A 114 25.097 -9.027 -25.046 1.00 2.35 H new ATOM 0 HB2 LYS A 114 25.054 -6.745 -26.182 1.00 4.21 H new ATOM 0 HB3 LYS A 114 25.993 -6.128 -24.837 1.00 4.21 H new ATOM 0 HG2 LYS A 114 27.069 -8.568 -26.173 1.00 72.41 H new ATOM 0 HG3 LYS A 114 27.087 -7.096 -27.124 1.00 72.41 H new ATOM 0 HD2 LYS A 114 28.036 -6.155 -24.726 1.00 64.51 H new ATOM 0 HD3 LYS A 114 28.639 -7.800 -24.686 1.00 64.51 H new ATOM 0 HE2 LYS A 114 30.314 -7.184 -26.058 1.00 12.34 H new ATOM 0 HE3 LYS A 114 29.136 -6.896 -27.323 1.00 12.34 H new ATOM 0 HZ1 LYS A 114 30.477 -4.937 -26.913 1.00 72.24 H new ATOM 0 HZ2 LYS A 114 28.857 -4.625 -26.510 1.00 72.24 H new ATOM 0 HZ3 LYS A 114 29.999 -4.904 -25.284 1.00 72.24 H new TER 1742 LYS A 114