USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 846 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.00241 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.0492 USER MOD Single : A 17 GLN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 19 MET CE :methyl 163:sc= -2.17 (180deg=-2.58) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= -3.93! (180deg=-4.18!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -74:sc= -3.48! USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.72 F(o=-2.7!,f=-1.7) USER MOD Single : A 78 ASN : amide:sc= -0.0452 K(o=-0.045,f=-1.6!) USER MOD Single : A 79 SER OG : rot 74:sc= -0.0883 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0.044) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0984 X(o=-0.098,f=-0.29) USER MOD Single : A 91 THR OG1 : rot -87:sc= 0.741 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 94 LYS NZ :NH3+ 157:sc=-0.00321 (180deg=-0.455) USER MOD Single : A 100 TYR OH : rot -115:sc=0.000102 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.992 17.536 -22.238 1.00 0.00 N ATOM 2 CA GLY A 1 -5.837 16.415 -21.872 1.00 0.00 C ATOM 3 C GLY A 1 -5.042 15.238 -21.342 1.00 0.00 C ATOM 4 O GLY A 1 -4.117 15.413 -20.548 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.478 18.426 -22.008 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.097 17.483 -21.710 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.794 17.503 -23.259 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.553 16.736 -21.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.412 16.099 -22.742 1.00 0.00 H new ATOM 8 N SER A 2 -5.403 14.036 -21.779 1.00 0.00 N ATOM 9 CA SER A 2 -4.721 12.825 -21.338 1.00 0.00 C ATOM 10 C SER A 2 -3.722 12.351 -22.390 1.00 0.00 C ATOM 11 O SER A 2 -3.988 11.407 -23.133 1.00 0.00 O ATOM 12 CB SER A 2 -5.736 11.719 -21.048 1.00 0.00 C ATOM 13 OG SER A 2 -5.147 10.670 -20.299 1.00 0.00 O ATOM 0 H SER A 2 -6.164 13.875 -22.438 1.00 0.00 H new ATOM 0 HA SER A 2 -4.177 13.057 -20.423 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.582 12.132 -20.498 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.127 11.325 -21.986 1.00 0.00 H new ATOM 0 HG SER A 2 -5.817 9.976 -20.125 1.00 0.00 H new ATOM 19 N SER A 3 -2.572 13.015 -22.447 1.00 0.00 N ATOM 20 CA SER A 3 -1.534 12.665 -23.409 1.00 0.00 C ATOM 21 C SER A 3 -0.268 12.197 -22.698 1.00 0.00 C ATOM 22 O SER A 3 0.585 11.540 -23.293 1.00 0.00 O ATOM 23 CB SER A 3 -1.215 13.864 -24.305 1.00 0.00 C ATOM 24 OG SER A 3 -1.284 15.078 -23.577 1.00 0.00 O ATOM 0 H SER A 3 -2.336 13.798 -21.838 1.00 0.00 H new ATOM 0 HA SER A 3 -1.906 11.847 -24.026 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.219 13.748 -24.731 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.917 13.896 -25.139 1.00 0.00 H new ATOM 0 HG SER A 3 -1.074 15.828 -24.172 1.00 0.00 H new ATOM 30 N GLY A 4 -0.155 12.540 -21.418 1.00 0.00 N ATOM 31 CA GLY A 4 1.009 12.147 -20.645 1.00 0.00 C ATOM 32 C GLY A 4 0.647 11.291 -19.447 1.00 0.00 C ATOM 33 O GLY A 4 -0.524 11.185 -19.083 1.00 0.00 O ATOM 0 H GLY A 4 -0.848 13.083 -20.903 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.698 11.597 -21.286 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.534 13.040 -20.305 1.00 0.00 H new ATOM 37 N SER A 5 1.655 10.677 -18.835 1.00 0.00 N ATOM 38 CA SER A 5 1.436 9.822 -17.674 1.00 0.00 C ATOM 39 C SER A 5 1.025 10.648 -16.460 1.00 0.00 C ATOM 40 O SER A 5 1.439 11.797 -16.308 1.00 0.00 O ATOM 41 CB SER A 5 2.702 9.024 -17.357 1.00 0.00 C ATOM 42 OG SER A 5 2.415 7.930 -16.503 1.00 0.00 O ATOM 0 H SER A 5 2.630 10.756 -19.123 1.00 0.00 H new ATOM 0 HA SER A 5 0.628 9.130 -17.911 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.147 8.660 -18.283 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.437 9.675 -16.884 1.00 0.00 H new ATOM 0 HG SER A 5 3.240 7.435 -16.317 1.00 0.00 H new ATOM 48 N SER A 6 0.207 10.054 -15.597 1.00 0.00 N ATOM 49 CA SER A 6 -0.265 10.735 -14.397 1.00 0.00 C ATOM 50 C SER A 6 0.907 11.166 -13.521 1.00 0.00 C ATOM 51 O SER A 6 2.037 10.719 -13.713 1.00 0.00 O ATOM 52 CB SER A 6 -1.203 9.823 -13.603 1.00 0.00 C ATOM 53 OG SER A 6 -2.373 9.525 -14.344 1.00 0.00 O ATOM 0 H SER A 6 -0.143 9.102 -15.707 1.00 0.00 H new ATOM 0 HA SER A 6 -0.812 11.626 -14.706 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.686 8.898 -13.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.476 10.306 -12.665 1.00 0.00 H new ATOM 0 HG SER A 6 -2.955 8.940 -13.815 1.00 0.00 H new ATOM 59 N GLY A 7 0.628 12.038 -12.557 1.00 0.00 N ATOM 60 CA GLY A 7 1.668 12.516 -11.665 1.00 0.00 C ATOM 61 C GLY A 7 1.512 11.983 -10.254 1.00 0.00 C ATOM 62 O GLY A 7 0.947 12.639 -9.379 1.00 0.00 O ATOM 0 H GLY A 7 -0.300 12.422 -12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.642 12.221 -12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.651 13.606 -11.642 1.00 0.00 H new ATOM 66 N PRO A 8 2.020 10.765 -10.018 1.00 0.00 N ATOM 67 CA PRO A 8 1.945 10.117 -8.706 1.00 0.00 C ATOM 68 C PRO A 8 2.837 10.796 -7.672 1.00 0.00 C ATOM 69 O PRO A 8 2.932 10.348 -6.530 1.00 0.00 O ATOM 70 CB PRO A 8 2.437 8.694 -8.984 1.00 0.00 C ATOM 71 CG PRO A 8 3.306 8.822 -10.187 1.00 0.00 C ATOM 72 CD PRO A 8 2.707 9.925 -11.015 1.00 0.00 C ATOM 0 HA PRO A 8 0.940 10.161 -8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.992 8.294 -8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.604 8.016 -9.168 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.332 9.059 -9.904 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.338 7.887 -10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.472 10.484 -11.553 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.013 9.537 -11.760 1.00 0.00 H new ATOM 80 N ALA A 9 3.490 11.879 -8.081 1.00 0.00 N ATOM 81 CA ALA A 9 4.372 12.622 -7.189 1.00 0.00 C ATOM 82 C ALA A 9 3.688 13.878 -6.661 1.00 0.00 C ATOM 83 O ALA A 9 4.139 14.480 -5.686 1.00 0.00 O ATOM 84 CB ALA A 9 5.664 12.984 -7.907 1.00 0.00 C ATOM 0 H ALA A 9 3.425 12.261 -9.024 1.00 0.00 H new ATOM 0 HA ALA A 9 4.608 11.984 -6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.314 13.539 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.169 12.073 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.436 13.600 -8.777 1.00 0.00 H new ATOM 90 N THR A 10 2.597 14.270 -7.311 1.00 0.00 N ATOM 91 CA THR A 10 1.852 15.456 -6.909 1.00 0.00 C ATOM 92 C THR A 10 0.358 15.164 -6.820 1.00 0.00 C ATOM 93 O THR A 10 -0.281 15.448 -5.807 1.00 0.00 O ATOM 94 CB THR A 10 2.078 16.622 -7.889 1.00 0.00 C ATOM 95 OG1 THR A 10 0.940 17.490 -7.889 1.00 0.00 O ATOM 96 CG2 THR A 10 2.327 16.104 -9.298 1.00 0.00 C ATOM 0 H THR A 10 2.210 13.783 -8.119 1.00 0.00 H new ATOM 0 HA THR A 10 2.223 15.742 -5.925 1.00 0.00 H new ATOM 0 HB THR A 10 2.957 17.177 -7.562 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.093 18.230 -8.514 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.484 16.946 -9.973 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.212 15.467 -9.300 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.464 15.528 -9.632 1.00 0.00 H new ATOM 104 N CYS A 11 -0.192 14.594 -7.887 1.00 0.00 N ATOM 105 CA CYS A 11 -1.612 14.263 -7.930 1.00 0.00 C ATOM 106 C CYS A 11 -1.990 13.340 -6.776 1.00 0.00 C ATOM 107 O CYS A 11 -1.235 12.448 -6.389 1.00 0.00 O ATOM 108 CB CYS A 11 -1.963 13.602 -9.263 1.00 0.00 C ATOM 109 SG CYS A 11 -1.326 14.478 -10.711 1.00 0.00 S ATOM 0 H CYS A 11 0.323 14.352 -8.733 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.179 15.189 -7.832 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.572 12.585 -9.266 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.047 13.527 -9.345 1.00 0.00 H new ATOM 0 HG CYS A 11 -1.672 13.841 -11.790 1.00 0.00 H new ATOM 115 N PRO A 12 -3.186 13.559 -6.210 1.00 0.00 N ATOM 116 CA PRO A 12 -3.691 12.758 -5.091 1.00 0.00 C ATOM 117 C PRO A 12 -4.040 11.333 -5.509 1.00 0.00 C ATOM 118 O PRO A 12 -3.893 10.965 -6.675 1.00 0.00 O ATOM 119 CB PRO A 12 -4.951 13.511 -4.656 1.00 0.00 C ATOM 120 CG PRO A 12 -5.394 14.245 -5.875 1.00 0.00 C ATOM 121 CD PRO A 12 -4.138 14.605 -6.620 1.00 0.00 C ATOM 0 HA PRO A 12 -2.949 12.649 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.721 12.824 -4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.739 14.197 -3.836 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.047 13.625 -6.488 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.960 15.138 -5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.296 14.604 -7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.782 15.600 -6.351 1.00 0.00 H new ATOM 129 N ILE A 13 -4.502 10.537 -4.551 1.00 0.00 N ATOM 130 CA ILE A 13 -4.873 9.154 -4.821 1.00 0.00 C ATOM 131 C ILE A 13 -6.314 9.056 -5.311 1.00 0.00 C ATOM 132 O ILE A 13 -7.254 9.330 -4.565 1.00 0.00 O ATOM 133 CB ILE A 13 -4.707 8.272 -3.570 1.00 0.00 C ATOM 134 CG1 ILE A 13 -3.246 8.259 -3.118 1.00 0.00 C ATOM 135 CG2 ILE A 13 -5.193 6.857 -3.850 1.00 0.00 C ATOM 136 CD1 ILE A 13 -3.019 7.507 -1.826 1.00 0.00 C ATOM 0 H ILE A 13 -4.628 10.826 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.202 8.794 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.313 8.691 -2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.636 7.810 -3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.903 9.286 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.069 6.246 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.246 6.883 -4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.612 6.428 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.961 7.540 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.602 7.969 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.331 6.470 -1.949 1.00 0.00 H new ATOM 148 N VAL A 14 -6.480 8.662 -6.570 1.00 0.00 N ATOM 149 CA VAL A 14 -7.807 8.525 -7.159 1.00 0.00 C ATOM 150 C VAL A 14 -8.482 7.237 -6.700 1.00 0.00 C ATOM 151 O VAL A 14 -8.000 6.132 -6.948 1.00 0.00 O ATOM 152 CB VAL A 14 -7.742 8.538 -8.698 1.00 0.00 C ATOM 153 CG1 VAL A 14 -9.138 8.651 -9.291 1.00 0.00 C ATOM 154 CG2 VAL A 14 -6.853 9.673 -9.183 1.00 0.00 C ATOM 0 H VAL A 14 -5.712 8.432 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.393 9.379 -6.820 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.307 7.597 -9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.072 8.659 -10.379 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.740 7.801 -8.970 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.605 9.575 -8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.818 9.668 -10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.257 10.625 -8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.846 9.541 -8.787 1.00 0.00 H new ATOM 164 N PRO A 15 -9.626 7.380 -6.014 1.00 0.00 N ATOM 165 CA PRO A 15 -10.392 6.239 -5.507 1.00 0.00 C ATOM 166 C PRO A 15 -11.049 5.438 -6.626 1.00 0.00 C ATOM 167 O PRO A 15 -11.043 5.852 -7.785 1.00 0.00 O ATOM 168 CB PRO A 15 -11.457 6.892 -4.621 1.00 0.00 C ATOM 169 CG PRO A 15 -11.615 8.267 -5.171 1.00 0.00 C ATOM 170 CD PRO A 15 -10.259 8.668 -5.682 1.00 0.00 C ATOM 0 HA PRO A 15 -9.759 5.525 -4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.396 6.340 -4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.143 6.917 -3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.354 8.284 -5.972 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.962 8.957 -4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.334 9.316 -6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.690 9.213 -4.928 1.00 0.00 H new ATOM 178 N GLY A 16 -11.617 4.289 -6.272 1.00 0.00 N ATOM 179 CA GLY A 16 -12.270 3.449 -7.258 1.00 0.00 C ATOM 180 C GLY A 16 -11.284 2.627 -8.065 1.00 0.00 C ATOM 181 O GLY A 16 -11.523 1.450 -8.334 1.00 0.00 O ATOM 0 H GLY A 16 -11.636 3.925 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.969 2.781 -6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.855 4.074 -7.933 1.00 0.00 H new ATOM 185 N GLN A 17 -10.176 3.249 -8.452 1.00 0.00 N ATOM 186 CA GLN A 17 -9.152 2.567 -9.235 1.00 0.00 C ATOM 187 C GLN A 17 -7.822 2.542 -8.487 1.00 0.00 C ATOM 188 O GLN A 17 -7.583 3.361 -7.601 1.00 0.00 O ATOM 189 CB GLN A 17 -8.975 3.254 -10.590 1.00 0.00 C ATOM 190 CG GLN A 17 -8.495 4.692 -10.486 1.00 0.00 C ATOM 191 CD GLN A 17 -8.855 5.518 -11.705 1.00 0.00 C ATOM 192 OE1 GLN A 17 -8.253 5.370 -12.769 1.00 0.00 O ATOM 193 NE2 GLN A 17 -9.843 6.393 -11.557 1.00 0.00 N ATOM 0 H GLN A 17 -9.964 4.223 -8.237 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.477 1.539 -9.396 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.262 2.684 -11.186 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.925 3.235 -11.124 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.929 5.153 -9.599 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.413 4.701 -10.353 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.314 6.482 -10.657 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.130 6.976 -12.343 1.00 0.00 H new ATOM 202 N GLU A 18 -6.962 1.596 -8.852 1.00 0.00 N ATOM 203 CA GLU A 18 -5.658 1.463 -8.214 1.00 0.00 C ATOM 204 C GLU A 18 -4.645 2.414 -8.845 1.00 0.00 C ATOM 205 O GLU A 18 -4.558 2.523 -10.067 1.00 0.00 O ATOM 206 CB GLU A 18 -5.157 0.022 -8.321 1.00 0.00 C ATOM 207 CG GLU A 18 -5.974 -0.969 -7.510 1.00 0.00 C ATOM 208 CD GLU A 18 -7.133 -1.552 -8.295 1.00 0.00 C ATOM 209 OE1 GLU A 18 -8.012 -0.773 -8.720 1.00 0.00 O ATOM 210 OE2 GLU A 18 -7.161 -2.785 -8.485 1.00 0.00 O ATOM 0 H GLU A 18 -7.145 0.911 -9.586 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.769 1.723 -7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.169 -0.281 -9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.119 -0.018 -7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.326 -1.778 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.357 -0.474 -6.618 1.00 0.00 H new ATOM 217 N MET A 19 -3.881 3.101 -8.001 1.00 0.00 N ATOM 218 CA MET A 19 -2.874 4.042 -8.476 1.00 0.00 C ATOM 219 C MET A 19 -1.521 3.762 -7.829 1.00 0.00 C ATOM 220 O MET A 19 -1.417 2.946 -6.913 1.00 0.00 O ATOM 221 CB MET A 19 -3.307 5.479 -8.178 1.00 0.00 C ATOM 222 CG MET A 19 -3.600 5.733 -6.709 1.00 0.00 C ATOM 223 SD MET A 19 -2.110 6.068 -5.750 1.00 0.00 S ATOM 224 CE MET A 19 -1.579 7.615 -6.481 1.00 0.00 C ATOM 0 H MET A 19 -3.941 3.023 -6.986 1.00 0.00 H new ATOM 0 HA MET A 19 -2.775 3.916 -9.554 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.523 6.161 -8.507 1.00 0.00 H new ATOM 0 HB3 MET A 19 -4.197 5.710 -8.763 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.282 6.578 -6.620 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.110 4.866 -6.289 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.864 8.104 -5.819 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.107 7.419 -7.444 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.442 8.265 -6.625 1.00 0.00 H new ATOM 234 N ILE A 20 -0.487 4.443 -8.312 1.00 0.00 N ATOM 235 CA ILE A 20 0.859 4.267 -7.780 1.00 0.00 C ATOM 236 C ILE A 20 1.358 5.545 -7.115 1.00 0.00 C ATOM 237 O ILE A 20 1.036 6.651 -7.551 1.00 0.00 O ATOM 238 CB ILE A 20 1.851 3.855 -8.884 1.00 0.00 C ATOM 239 CG1 ILE A 20 1.523 2.452 -9.397 1.00 0.00 C ATOM 240 CG2 ILE A 20 3.279 3.914 -8.361 1.00 0.00 C ATOM 241 CD1 ILE A 20 0.467 2.435 -10.479 1.00 0.00 C ATOM 0 H ILE A 20 -0.556 5.121 -9.071 1.00 0.00 H new ATOM 0 HA ILE A 20 0.804 3.471 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 20 1.760 4.555 -9.714 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.433 1.993 -9.782 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.185 1.838 -8.562 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.969 3.620 -9.152 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.507 4.930 -8.040 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.385 3.234 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.286 1.407 -10.794 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.457 2.864 -10.092 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.810 3.021 -11.332 1.00 0.00 H new ATOM 253 N ILE A 21 2.146 5.386 -6.057 1.00 0.00 N ATOM 254 CA ILE A 21 2.692 6.527 -5.333 1.00 0.00 C ATOM 255 C ILE A 21 4.216 6.485 -5.311 1.00 0.00 C ATOM 256 O ILE A 21 4.818 5.413 -5.339 1.00 0.00 O ATOM 257 CB ILE A 21 2.170 6.577 -3.885 1.00 0.00 C ATOM 258 CG1 ILE A 21 2.359 5.219 -3.204 1.00 0.00 C ATOM 259 CG2 ILE A 21 0.705 6.986 -3.864 1.00 0.00 C ATOM 260 CD1 ILE A 21 1.569 5.070 -1.923 1.00 0.00 C ATOM 0 H ILE A 21 2.421 4.478 -5.682 1.00 0.00 H new ATOM 0 HA ILE A 21 2.363 7.423 -5.860 1.00 0.00 H new ATOM 0 HB ILE A 21 2.743 7.322 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.065 4.430 -3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.417 5.074 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.351 7.017 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.596 7.972 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.117 6.262 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.751 4.084 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.880 5.836 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.506 5.182 -2.136 1.00 0.00 H new ATOM 272 N GLU A 22 4.834 7.662 -5.259 1.00 0.00 N ATOM 273 CA GLU A 22 6.289 7.759 -5.232 1.00 0.00 C ATOM 274 C GLU A 22 6.747 8.774 -4.189 1.00 0.00 C ATOM 275 O GLU A 22 6.519 9.975 -4.335 1.00 0.00 O ATOM 276 CB GLU A 22 6.821 8.154 -6.612 1.00 0.00 C ATOM 277 CG GLU A 22 8.209 7.609 -6.907 1.00 0.00 C ATOM 278 CD GLU A 22 8.721 8.027 -8.272 1.00 0.00 C ATOM 279 OE1 GLU A 22 9.143 9.193 -8.415 1.00 0.00 O ATOM 280 OE2 GLU A 22 8.699 7.188 -9.196 1.00 0.00 O ATOM 0 H GLU A 22 4.350 8.560 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 22 6.688 6.781 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.129 7.796 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.843 9.241 -6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.902 7.956 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.188 6.521 -6.848 1.00 0.00 H new ATOM 287 N ILE A 23 7.392 8.282 -3.137 1.00 0.00 N ATOM 288 CA ILE A 23 7.883 9.145 -2.070 1.00 0.00 C ATOM 289 C ILE A 23 9.407 9.179 -2.047 1.00 0.00 C ATOM 290 O ILE A 23 10.064 8.151 -2.213 1.00 0.00 O ATOM 291 CB ILE A 23 7.370 8.684 -0.693 1.00 0.00 C ATOM 292 CG1 ILE A 23 5.844 8.568 -0.705 1.00 0.00 C ATOM 293 CG2 ILE A 23 7.825 9.649 0.392 1.00 0.00 C ATOM 294 CD1 ILE A 23 5.273 7.984 0.568 1.00 0.00 C ATOM 0 H ILE A 23 7.587 7.290 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 23 7.503 10.146 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 23 7.788 7.701 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.414 9.556 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.541 7.947 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.455 9.310 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.914 9.686 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.433 10.644 0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.187 7.931 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.675 6.982 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.545 8.617 1.413 1.00 0.00 H new ATOM 306 N SER A 24 9.964 10.367 -1.838 1.00 0.00 N ATOM 307 CA SER A 24 11.412 10.536 -1.795 1.00 0.00 C ATOM 308 C SER A 24 11.921 10.496 -0.357 1.00 0.00 C ATOM 309 O SER A 24 11.802 11.472 0.385 1.00 0.00 O ATOM 310 CB SER A 24 11.812 11.858 -2.452 1.00 0.00 C ATOM 311 OG SER A 24 13.221 12.003 -2.489 1.00 0.00 O ATOM 0 H SER A 24 9.435 11.227 -1.696 1.00 0.00 H new ATOM 0 HA SER A 24 11.866 9.712 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.412 11.900 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.372 12.689 -1.901 1.00 0.00 H new ATOM 0 HG SER A 24 13.451 12.855 -2.915 1.00 0.00 H new ATOM 317 N LYS A 25 12.489 9.359 0.031 1.00 0.00 N ATOM 318 CA LYS A 25 13.018 9.189 1.379 1.00 0.00 C ATOM 319 C LYS A 25 13.942 10.344 1.751 1.00 0.00 C ATOM 320 O LYS A 25 14.311 11.155 0.902 1.00 0.00 O ATOM 321 CB LYS A 25 13.774 7.862 1.488 1.00 0.00 C ATOM 322 CG LYS A 25 12.864 6.649 1.578 1.00 0.00 C ATOM 323 CD LYS A 25 13.611 5.429 2.089 1.00 0.00 C ATOM 324 CE LYS A 25 14.221 4.630 0.947 1.00 0.00 C ATOM 325 NZ LYS A 25 15.603 5.083 0.630 1.00 0.00 N ATOM 0 H LYS A 25 12.595 8.541 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 25 12.178 9.181 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.426 7.753 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.416 7.890 2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.027 6.869 2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.444 6.434 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.397 5.744 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.929 4.794 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.237 3.573 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.595 4.727 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.920 4.637 -0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.612 6.117 0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.243 4.812 1.404 1.00 0.00 H new ATOM 339 N GLY A 26 14.313 10.413 3.026 1.00 0.00 N ATOM 340 CA GLY A 26 15.191 11.472 3.487 1.00 0.00 C ATOM 341 C GLY A 26 16.281 10.962 4.409 1.00 0.00 C ATOM 342 O GLY A 26 17.341 10.536 3.952 1.00 0.00 O ATOM 0 H GLY A 26 14.021 9.754 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.647 11.962 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.602 12.227 4.008 1.00 0.00 H new ATOM 346 N ARG A 27 16.019 11.005 5.712 1.00 0.00 N ATOM 347 CA ARG A 27 16.987 10.546 6.701 1.00 0.00 C ATOM 348 C ARG A 27 16.445 9.349 7.477 1.00 0.00 C ATOM 349 O ARG A 27 17.076 8.293 7.529 1.00 0.00 O ATOM 350 CB ARG A 27 17.336 11.678 7.668 1.00 0.00 C ATOM 351 CG ARG A 27 18.076 12.833 7.012 1.00 0.00 C ATOM 352 CD ARG A 27 19.581 12.620 7.046 1.00 0.00 C ATOM 353 NE ARG A 27 20.284 13.537 6.152 1.00 0.00 N ATOM 354 CZ ARG A 27 21.578 13.442 5.870 1.00 0.00 C ATOM 355 NH1 ARG A 27 22.308 12.476 6.410 1.00 0.00 N ATOM 356 NH2 ARG A 27 22.145 14.315 5.047 1.00 0.00 N ATOM 0 H ARG A 27 15.145 11.353 6.107 1.00 0.00 H new ATOM 0 HA ARG A 27 17.889 10.237 6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 27 16.418 12.055 8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 27 17.948 11.278 8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.745 12.939 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 27 17.827 13.763 7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 27 19.944 12.758 8.065 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.808 11.592 6.763 1.00 0.00 H new ATOM 0 HE ARG A 27 19.751 14.292 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 27 21.876 11.804 7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.302 12.405 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.587 15.060 4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 27 23.139 14.241 4.831 1.00 0.00 H new ATOM 370 N SER A 28 15.273 9.521 8.078 1.00 0.00 N ATOM 371 CA SER A 28 14.648 8.457 8.855 1.00 0.00 C ATOM 372 C SER A 28 13.838 7.531 7.954 1.00 0.00 C ATOM 373 O SER A 28 12.646 7.319 8.173 1.00 0.00 O ATOM 374 CB SER A 28 13.746 9.050 9.939 1.00 0.00 C ATOM 375 OG SER A 28 14.484 9.879 10.820 1.00 0.00 O ATOM 0 H SER A 28 14.736 10.388 8.042 1.00 0.00 H new ATOM 0 HA SER A 28 15.438 7.875 9.329 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.947 9.628 9.475 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.273 8.246 10.502 1.00 0.00 H new ATOM 0 HG SER A 28 13.884 10.247 11.502 1.00 0.00 H new ATOM 381 N GLY A 29 14.495 6.980 6.937 1.00 0.00 N ATOM 382 CA GLY A 29 13.821 6.083 6.017 1.00 0.00 C ATOM 383 C GLY A 29 12.422 6.552 5.670 1.00 0.00 C ATOM 384 O GLY A 29 12.250 7.514 4.919 1.00 0.00 O ATOM 0 H GLY A 29 15.482 7.139 6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.409 5.996 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.768 5.088 6.458 1.00 0.00 H new ATOM 388 N LEU A 30 11.419 5.872 6.214 1.00 0.00 N ATOM 389 CA LEU A 30 10.027 6.224 5.956 1.00 0.00 C ATOM 390 C LEU A 30 9.278 6.474 7.261 1.00 0.00 C ATOM 391 O LEU A 30 8.850 7.593 7.538 1.00 0.00 O ATOM 392 CB LEU A 30 9.338 5.111 5.164 1.00 0.00 C ATOM 393 CG LEU A 30 9.713 5.010 3.685 1.00 0.00 C ATOM 394 CD1 LEU A 30 9.347 3.640 3.135 1.00 0.00 C ATOM 395 CD2 LEU A 30 9.028 6.108 2.885 1.00 0.00 C ATOM 0 H LEU A 30 11.544 5.074 6.837 1.00 0.00 H new ATOM 0 HA LEU A 30 10.012 7.142 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.565 4.158 5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.260 5.255 5.236 1.00 0.00 H new ATOM 0 HG LEU A 30 10.791 5.140 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.621 3.586 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.884 2.870 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.274 3.481 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.306 6.021 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.947 6.009 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.339 7.082 3.263 1.00 0.00 H new ATOM 407 N GLY A 31 9.125 5.422 8.061 1.00 0.00 N ATOM 408 CA GLY A 31 8.429 5.549 9.328 1.00 0.00 C ATOM 409 C GLY A 31 6.967 5.161 9.228 1.00 0.00 C ATOM 410 O GLY A 31 6.084 5.946 9.577 1.00 0.00 O ATOM 0 H GLY A 31 9.471 4.485 7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.918 4.921 10.072 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.505 6.578 9.679 1.00 0.00 H new ATOM 414 N LEU A 32 6.710 3.949 8.749 1.00 0.00 N ATOM 415 CA LEU A 32 5.344 3.459 8.602 1.00 0.00 C ATOM 416 C LEU A 32 5.223 2.025 9.108 1.00 0.00 C ATOM 417 O LEU A 32 6.224 1.329 9.279 1.00 0.00 O ATOM 418 CB LEU A 32 4.909 3.534 7.138 1.00 0.00 C ATOM 419 CG LEU A 32 5.899 2.977 6.114 1.00 0.00 C ATOM 420 CD1 LEU A 32 6.460 1.645 6.584 1.00 0.00 C ATOM 421 CD2 LEU A 32 5.232 2.827 4.754 1.00 0.00 C ATOM 0 H LEU A 32 7.429 3.288 8.456 1.00 0.00 H new ATOM 0 HA LEU A 32 4.690 4.093 9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.967 2.997 7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.711 4.577 6.892 1.00 0.00 H new ATOM 0 HG LEU A 32 6.725 3.681 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.162 1.264 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.975 1.782 7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.646 0.932 6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.951 2.430 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.387 2.144 4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.880 3.800 4.412 1.00 0.00 H new ATOM 433 N SER A 33 3.990 1.588 9.343 1.00 0.00 N ATOM 434 CA SER A 33 3.738 0.236 9.830 1.00 0.00 C ATOM 435 C SER A 33 2.725 -0.481 8.943 1.00 0.00 C ATOM 436 O SER A 33 1.926 0.155 8.255 1.00 0.00 O ATOM 437 CB SER A 33 3.230 0.278 11.273 1.00 0.00 C ATOM 438 OG SER A 33 2.972 -1.027 11.761 1.00 0.00 O ATOM 0 H SER A 33 3.150 2.150 9.204 1.00 0.00 H new ATOM 0 HA SER A 33 4.677 -0.316 9.798 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.969 0.768 11.908 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.320 0.875 11.324 1.00 0.00 H new ATOM 0 HG SER A 33 2.650 -0.973 12.685 1.00 0.00 H new ATOM 444 N ILE A 34 2.764 -1.809 8.965 1.00 0.00 N ATOM 445 CA ILE A 34 1.850 -2.613 8.164 1.00 0.00 C ATOM 446 C ILE A 34 1.268 -3.761 8.982 1.00 0.00 C ATOM 447 O ILE A 34 1.691 -4.011 10.110 1.00 0.00 O ATOM 448 CB ILE A 34 2.550 -3.188 6.918 1.00 0.00 C ATOM 449 CG1 ILE A 34 3.871 -3.854 7.310 1.00 0.00 C ATOM 450 CG2 ILE A 34 2.787 -2.092 5.891 1.00 0.00 C ATOM 451 CD1 ILE A 34 4.280 -4.976 6.382 1.00 0.00 C ATOM 0 H ILE A 34 3.419 -2.351 9.529 1.00 0.00 H new ATOM 0 HA ILE A 34 1.044 -1.952 7.845 1.00 0.00 H new ATOM 0 HB ILE A 34 1.903 -3.943 6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.658 -3.100 7.325 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.785 -4.245 8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.282 -2.514 5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.832 -1.659 5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.417 -1.316 6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.225 -5.402 6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.512 -5.749 6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.399 -4.587 5.371 1.00 0.00 H new ATOM 463 N VAL A 35 0.295 -4.458 8.403 1.00 0.00 N ATOM 464 CA VAL A 35 -0.344 -5.583 9.076 1.00 0.00 C ATOM 465 C VAL A 35 -1.030 -6.505 8.075 1.00 0.00 C ATOM 466 O VAL A 35 -1.500 -6.062 7.028 1.00 0.00 O ATOM 467 CB VAL A 35 -1.381 -5.102 10.109 1.00 0.00 C ATOM 468 CG1 VAL A 35 -0.699 -4.723 11.414 1.00 0.00 C ATOM 469 CG2 VAL A 35 -2.181 -3.932 9.556 1.00 0.00 C ATOM 0 H VAL A 35 -0.068 -4.263 7.470 1.00 0.00 H new ATOM 0 HA VAL A 35 0.444 -6.133 9.591 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.072 -5.920 10.313 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.447 -4.386 12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.176 -5.590 11.816 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.016 -3.921 11.231 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.909 -3.605 10.299 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.507 -3.108 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.702 -4.243 8.650 1.00 0.00 H new ATOM 479 N GLY A 36 -1.084 -7.792 8.404 1.00 0.00 N ATOM 480 CA GLY A 36 -1.715 -8.758 7.523 1.00 0.00 C ATOM 481 C GLY A 36 -0.726 -9.755 6.953 1.00 0.00 C ATOM 482 O GLY A 36 0.355 -9.954 7.506 1.00 0.00 O ATOM 0 H GLY A 36 -0.702 -8.183 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.490 -9.293 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.208 -8.232 6.705 1.00 0.00 H new ATOM 486 N GLY A 37 -1.097 -10.385 5.843 1.00 0.00 N ATOM 487 CA GLY A 37 -0.224 -11.361 5.217 1.00 0.00 C ATOM 488 C GLY A 37 -0.975 -12.586 4.735 1.00 0.00 C ATOM 489 O GLY A 37 -1.877 -12.484 3.903 1.00 0.00 O ATOM 0 H GLY A 37 -1.986 -10.237 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.288 -10.898 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.544 -11.666 5.928 1.00 0.00 H new ATOM 493 N LYS A 38 -0.603 -13.750 5.258 1.00 0.00 N ATOM 494 CA LYS A 38 -1.248 -15.001 4.876 1.00 0.00 C ATOM 495 C LYS A 38 -1.923 -15.654 6.078 1.00 0.00 C ATOM 496 O LYS A 38 -2.985 -16.264 5.949 1.00 0.00 O ATOM 497 CB LYS A 38 -0.222 -15.962 4.270 1.00 0.00 C ATOM 498 CG LYS A 38 0.771 -15.286 3.341 1.00 0.00 C ATOM 499 CD LYS A 38 2.004 -14.812 4.092 1.00 0.00 C ATOM 500 CE LYS A 38 2.959 -15.962 4.376 1.00 0.00 C ATOM 501 NZ LYS A 38 3.837 -16.255 3.209 1.00 0.00 N ATOM 0 H LYS A 38 0.142 -13.853 5.947 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.011 -14.775 4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.324 -16.453 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.748 -16.742 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.067 -15.981 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.293 -14.437 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.516 -14.048 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.703 -14.347 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.575 -15.717 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.387 -16.854 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.473 -17.044 3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.251 -16.513 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.401 -15.412 2.979 1.00 0.00 H new ATOM 515 N ASP A 39 -1.302 -15.520 7.245 1.00 0.00 N ATOM 516 CA ASP A 39 -1.845 -16.095 8.470 1.00 0.00 C ATOM 517 C ASP A 39 -2.555 -15.030 9.301 1.00 0.00 C ATOM 518 O ASP A 39 -2.730 -15.185 10.510 1.00 0.00 O ATOM 519 CB ASP A 39 -0.730 -16.742 9.293 1.00 0.00 C ATOM 520 CG ASP A 39 -0.014 -17.841 8.533 1.00 0.00 C ATOM 521 OD1 ASP A 39 -0.507 -18.989 8.544 1.00 0.00 O ATOM 522 OD2 ASP A 39 1.039 -17.554 7.926 1.00 0.00 O ATOM 0 H ASP A 39 -0.422 -15.018 7.368 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.571 -16.859 8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.010 -15.979 9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.151 -17.153 10.210 1.00 0.00 H new ATOM 527 N THR A 40 -2.962 -13.948 8.645 1.00 0.00 N ATOM 528 CA THR A 40 -3.651 -12.857 9.323 1.00 0.00 C ATOM 529 C THR A 40 -5.141 -12.863 9.001 1.00 0.00 C ATOM 530 O THR A 40 -5.571 -13.335 7.949 1.00 0.00 O ATOM 531 CB THR A 40 -3.058 -11.490 8.932 1.00 0.00 C ATOM 532 OG1 THR A 40 -2.660 -11.504 7.557 1.00 0.00 O ATOM 533 CG2 THR A 40 -1.862 -11.148 9.808 1.00 0.00 C ATOM 0 H THR A 40 -2.826 -13.804 7.644 1.00 0.00 H new ATOM 0 HA THR A 40 -3.513 -13.012 10.393 1.00 0.00 H new ATOM 0 HB THR A 40 -3.825 -10.730 9.080 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.839 -12.030 7.459 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.460 -10.179 9.513 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.175 -11.109 10.851 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.093 -11.911 9.688 1.00 0.00 H new ATOM 541 N PRO A 41 -5.949 -12.327 9.928 1.00 0.00 N ATOM 542 CA PRO A 41 -7.404 -12.257 9.764 1.00 0.00 C ATOM 543 C PRO A 41 -7.819 -11.264 8.684 1.00 0.00 C ATOM 544 O PRO A 41 -9.009 -11.043 8.454 1.00 0.00 O ATOM 545 CB PRO A 41 -7.894 -11.791 11.137 1.00 0.00 C ATOM 546 CG PRO A 41 -6.737 -11.056 11.722 1.00 0.00 C ATOM 547 CD PRO A 41 -5.505 -11.746 11.206 1.00 0.00 C ATOM 0 HA PRO A 41 -7.825 -13.212 9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.768 -11.146 11.048 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.183 -12.636 11.762 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.750 -10.007 11.425 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.770 -11.079 12.811 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.682 -11.046 11.065 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.155 -12.514 11.896 1.00 0.00 H new ATOM 555 N LEU A 42 -6.833 -10.667 8.025 1.00 0.00 N ATOM 556 CA LEU A 42 -7.096 -9.696 6.968 1.00 0.00 C ATOM 557 C LEU A 42 -6.574 -10.198 5.626 1.00 0.00 C ATOM 558 O LEU A 42 -7.157 -9.920 4.579 1.00 0.00 O ATOM 559 CB LEU A 42 -6.449 -8.353 7.310 1.00 0.00 C ATOM 560 CG LEU A 42 -5.177 -8.416 8.157 1.00 0.00 C ATOM 561 CD1 LEU A 42 -4.329 -7.173 7.940 1.00 0.00 C ATOM 562 CD2 LEU A 42 -5.526 -8.577 9.630 1.00 0.00 C ATOM 0 H LEU A 42 -5.843 -10.838 8.204 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.175 -9.563 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.216 -7.837 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.183 -7.743 7.837 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.597 -9.284 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.428 -7.236 8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.050 -7.102 6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.900 -6.289 8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.610 -8.620 10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.127 -7.728 9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.092 -9.498 9.771 1.00 0.00 H new ATOM 574 N ASN A 43 -5.472 -10.941 5.665 1.00 0.00 N ATOM 575 CA ASN A 43 -4.873 -11.483 4.451 1.00 0.00 C ATOM 576 C ASN A 43 -4.606 -10.377 3.435 1.00 0.00 C ATOM 577 O ASN A 43 -4.680 -10.599 2.227 1.00 0.00 O ATOM 578 CB ASN A 43 -5.786 -12.546 3.837 1.00 0.00 C ATOM 579 CG ASN A 43 -6.203 -13.601 4.843 1.00 0.00 C ATOM 580 OD1 ASN A 43 -7.198 -13.441 5.551 1.00 0.00 O ATOM 581 ND2 ASN A 43 -5.442 -14.687 4.912 1.00 0.00 N ATOM 0 H ASN A 43 -4.976 -11.181 6.524 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.922 -11.942 4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.675 -12.065 3.429 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.272 -13.025 3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.673 -15.431 5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.627 -14.778 4.306 1.00 0.00 H new ATOM 588 N ALA A 44 -4.295 -9.185 3.934 1.00 0.00 N ATOM 589 CA ALA A 44 -4.015 -8.045 3.070 1.00 0.00 C ATOM 590 C ALA A 44 -3.132 -7.023 3.778 1.00 0.00 C ATOM 591 O ALA A 44 -3.447 -6.576 4.882 1.00 0.00 O ATOM 592 CB ALA A 44 -5.313 -7.397 2.614 1.00 0.00 C ATOM 0 H ALA A 44 -4.231 -8.984 4.932 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.476 -8.408 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.089 -6.547 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.908 -8.124 2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.874 -7.055 3.484 1.00 0.00 H new ATOM 598 N ILE A 45 -2.026 -6.659 3.138 1.00 0.00 N ATOM 599 CA ILE A 45 -1.098 -5.690 3.708 1.00 0.00 C ATOM 600 C ILE A 45 -1.762 -4.327 3.877 1.00 0.00 C ATOM 601 O ILE A 45 -2.018 -3.624 2.899 1.00 0.00 O ATOM 602 CB ILE A 45 0.158 -5.531 2.832 1.00 0.00 C ATOM 603 CG1 ILE A 45 0.868 -6.877 2.672 1.00 0.00 C ATOM 604 CG2 ILE A 45 1.098 -4.499 3.436 1.00 0.00 C ATOM 605 CD1 ILE A 45 1.248 -7.520 3.987 1.00 0.00 C ATOM 0 H ILE A 45 -1.751 -7.020 2.225 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.803 -6.072 4.685 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.147 -5.182 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.220 -7.557 2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.767 -6.735 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.981 -4.398 2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.588 -3.538 3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.399 -4.821 4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.747 -8.470 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.921 -6.860 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.350 -7.694 4.580 1.00 0.00 H new ATOM 617 N VAL A 46 -2.036 -3.959 5.124 1.00 0.00 N ATOM 618 CA VAL A 46 -2.668 -2.679 5.423 1.00 0.00 C ATOM 619 C VAL A 46 -1.788 -1.833 6.336 1.00 0.00 C ATOM 620 O VAL A 46 -1.086 -2.358 7.200 1.00 0.00 O ATOM 621 CB VAL A 46 -4.043 -2.873 6.088 1.00 0.00 C ATOM 622 CG1 VAL A 46 -4.741 -1.534 6.272 1.00 0.00 C ATOM 623 CG2 VAL A 46 -4.902 -3.823 5.267 1.00 0.00 C ATOM 0 H VAL A 46 -1.830 -4.529 5.944 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.803 -2.163 4.473 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.892 -3.315 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.711 -1.691 6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.131 -0.889 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.882 -1.061 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.870 -3.949 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.047 -3.411 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.405 -4.790 5.192 1.00 0.00 H new ATOM 633 N ILE A 47 -1.832 -0.519 6.139 1.00 0.00 N ATOM 634 CA ILE A 47 -1.041 0.401 6.947 1.00 0.00 C ATOM 635 C ILE A 47 -1.646 0.574 8.335 1.00 0.00 C ATOM 636 O ILE A 47 -2.702 1.188 8.492 1.00 0.00 O ATOM 637 CB ILE A 47 -0.923 1.781 6.274 1.00 0.00 C ATOM 638 CG1 ILE A 47 -0.366 1.636 4.856 1.00 0.00 C ATOM 639 CG2 ILE A 47 -0.039 2.701 7.104 1.00 0.00 C ATOM 640 CD1 ILE A 47 -0.171 2.957 4.146 1.00 0.00 C ATOM 0 H ILE A 47 -2.407 -0.068 5.427 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.046 -0.035 7.040 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.917 2.224 6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.589 1.113 4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.043 1.014 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.035 3.673 6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.473 2.826 8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.956 2.265 7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.226 2.778 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.128 3.473 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.529 3.573 4.710 1.00 0.00 H new ATOM 652 N HIS A 48 -0.970 0.030 9.342 1.00 0.00 N ATOM 653 CA HIS A 48 -1.440 0.126 10.720 1.00 0.00 C ATOM 654 C HIS A 48 -1.314 1.556 11.238 1.00 0.00 C ATOM 655 O HIS A 48 -2.284 2.136 11.724 1.00 0.00 O ATOM 656 CB HIS A 48 -0.650 -0.825 11.618 1.00 0.00 C ATOM 657 CG HIS A 48 -1.244 -0.992 12.983 1.00 0.00 C ATOM 658 ND1 HIS A 48 -2.247 -1.896 13.262 1.00 0.00 N ATOM 659 CD2 HIS A 48 -0.968 -0.366 14.151 1.00 0.00 C ATOM 660 CE1 HIS A 48 -2.565 -1.816 14.541 1.00 0.00 C ATOM 661 NE2 HIS A 48 -1.803 -0.896 15.104 1.00 0.00 N ATOM 0 H HIS A 48 -0.095 -0.482 9.230 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.492 -0.158 10.740 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.589 -1.800 11.136 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.370 -0.454 11.718 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.229 0.406 14.305 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.320 -2.403 15.042 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.830 -0.623 16.087 1.00 0.00 H new ATOM 670 N GLU A 49 -0.113 2.116 11.130 1.00 0.00 N ATOM 671 CA GLU A 49 0.138 3.477 11.589 1.00 0.00 C ATOM 672 C GLU A 49 1.303 4.102 10.827 1.00 0.00 C ATOM 673 O GLU A 49 2.316 3.450 10.575 1.00 0.00 O ATOM 674 CB GLU A 49 0.433 3.486 13.090 1.00 0.00 C ATOM 675 CG GLU A 49 0.259 4.850 13.737 1.00 0.00 C ATOM 676 CD GLU A 49 -1.149 5.077 14.250 1.00 0.00 C ATOM 677 OE1 GLU A 49 -1.523 4.445 15.260 1.00 0.00 O ATOM 678 OE2 GLU A 49 -1.878 5.889 13.642 1.00 0.00 O ATOM 0 H GLU A 49 0.700 1.649 10.729 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.757 4.068 11.398 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.225 2.772 13.585 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.455 3.144 13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.963 4.948 14.563 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.507 5.626 13.013 1.00 0.00 H new ATOM 685 N VAL A 50 1.151 5.371 10.462 1.00 0.00 N ATOM 686 CA VAL A 50 2.189 6.086 9.729 1.00 0.00 C ATOM 687 C VAL A 50 2.832 7.162 10.596 1.00 0.00 C ATOM 688 O VAL A 50 2.293 8.259 10.744 1.00 0.00 O ATOM 689 CB VAL A 50 1.627 6.739 8.452 1.00 0.00 C ATOM 690 CG1 VAL A 50 2.709 7.535 7.739 1.00 0.00 C ATOM 691 CG2 VAL A 50 1.036 5.683 7.530 1.00 0.00 C ATOM 0 H VAL A 50 0.318 5.925 10.662 1.00 0.00 H new ATOM 0 HA VAL A 50 2.943 5.350 9.450 1.00 0.00 H new ATOM 0 HB VAL A 50 0.831 7.427 8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.294 7.989 6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.082 8.317 8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.528 6.871 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.644 6.162 6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.811 4.969 7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.230 5.161 8.045 1.00 0.00 H new ATOM 701 N TYR A 51 3.987 6.841 11.168 1.00 0.00 N ATOM 702 CA TYR A 51 4.704 7.780 12.022 1.00 0.00 C ATOM 703 C TYR A 51 4.901 9.118 11.317 1.00 0.00 C ATOM 704 O TYR A 51 5.840 9.290 10.540 1.00 0.00 O ATOM 705 CB TYR A 51 6.060 7.200 12.428 1.00 0.00 C ATOM 706 CG TYR A 51 5.994 5.755 12.869 1.00 0.00 C ATOM 707 CD1 TYR A 51 4.873 5.259 13.524 1.00 0.00 C ATOM 708 CD2 TYR A 51 7.052 4.886 12.631 1.00 0.00 C ATOM 709 CE1 TYR A 51 4.808 3.940 13.929 1.00 0.00 C ATOM 710 CE2 TYR A 51 6.995 3.565 13.031 1.00 0.00 C ATOM 711 CZ TYR A 51 5.871 3.097 13.680 1.00 0.00 C ATOM 712 OH TYR A 51 5.811 1.782 14.081 1.00 0.00 O ATOM 0 H TYR A 51 4.447 5.937 11.056 1.00 0.00 H new ATOM 0 HA TYR A 51 4.105 7.947 12.917 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.748 7.283 11.586 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.474 7.800 13.238 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.039 5.916 13.720 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.934 5.250 12.125 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.930 3.571 14.438 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.825 2.902 12.837 1.00 0.00 H new ATOM 0 HH TYR A 51 6.640 1.325 13.829 1.00 0.00 H new ATOM 722 N GLU A 52 4.008 10.063 11.595 1.00 0.00 N ATOM 723 CA GLU A 52 4.083 11.386 10.987 1.00 0.00 C ATOM 724 C GLU A 52 5.487 11.968 11.122 1.00 0.00 C ATOM 725 O GLU A 52 5.859 12.891 10.398 1.00 0.00 O ATOM 726 CB GLU A 52 3.064 12.327 11.633 1.00 0.00 C ATOM 727 CG GLU A 52 3.252 12.490 13.133 1.00 0.00 C ATOM 728 CD GLU A 52 4.240 13.585 13.482 1.00 0.00 C ATOM 729 OE1 GLU A 52 4.352 14.555 12.703 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.902 13.472 14.535 1.00 0.00 O ATOM 0 H GLU A 52 3.225 9.937 12.237 1.00 0.00 H new ATOM 0 HA GLU A 52 3.851 11.284 9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.133 13.306 11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.060 11.950 11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.290 12.714 13.594 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.596 11.547 13.557 1.00 0.00 H new ATOM 737 N GLU A 53 6.261 11.422 12.055 1.00 0.00 N ATOM 738 CA GLU A 53 7.623 11.888 12.286 1.00 0.00 C ATOM 739 C GLU A 53 8.600 11.210 11.329 1.00 0.00 C ATOM 740 O GLU A 53 9.723 10.877 11.704 1.00 0.00 O ATOM 741 CB GLU A 53 8.040 11.618 13.733 1.00 0.00 C ATOM 742 CG GLU A 53 7.566 10.275 14.262 1.00 0.00 C ATOM 743 CD GLU A 53 8.385 9.791 15.443 1.00 0.00 C ATOM 744 OE1 GLU A 53 9.394 9.090 15.219 1.00 0.00 O ATOM 745 OE2 GLU A 53 8.017 10.115 16.592 1.00 0.00 O ATOM 0 H GLU A 53 5.968 10.657 12.663 1.00 0.00 H new ATOM 0 HA GLU A 53 7.648 12.962 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.127 11.664 13.804 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.645 12.410 14.370 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.520 10.354 14.558 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.616 9.536 13.463 1.00 0.00 H new ATOM 752 N GLY A 54 8.161 11.008 10.090 1.00 0.00 N ATOM 753 CA GLY A 54 9.008 10.370 9.098 1.00 0.00 C ATOM 754 C GLY A 54 8.911 11.035 7.740 1.00 0.00 C ATOM 755 O GLY A 54 8.689 12.242 7.646 1.00 0.00 O ATOM 0 H GLY A 54 7.235 11.274 9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.043 10.395 9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.728 9.321 9.006 1.00 0.00 H new ATOM 759 N ALA A 55 9.080 10.247 6.683 1.00 0.00 N ATOM 760 CA ALA A 55 9.011 10.766 5.323 1.00 0.00 C ATOM 761 C ALA A 55 7.633 10.526 4.714 1.00 0.00 C ATOM 762 O ALA A 55 6.956 11.466 4.299 1.00 0.00 O ATOM 763 CB ALA A 55 10.090 10.130 4.459 1.00 0.00 C ATOM 0 H ALA A 55 9.266 9.246 6.743 1.00 0.00 H new ATOM 0 HA ALA A 55 9.181 11.842 5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.026 10.527 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 55 11.071 10.357 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.947 9.050 4.435 1.00 0.00 H new ATOM 769 N ALA A 56 7.226 9.263 4.663 1.00 0.00 N ATOM 770 CA ALA A 56 5.929 8.900 4.105 1.00 0.00 C ATOM 771 C ALA A 56 4.863 9.924 4.483 1.00 0.00 C ATOM 772 O ALA A 56 3.883 10.108 3.763 1.00 0.00 O ATOM 773 CB ALA A 56 5.521 7.512 4.577 1.00 0.00 C ATOM 0 H ALA A 56 7.776 8.473 5.001 1.00 0.00 H new ATOM 0 HA ALA A 56 6.018 8.891 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.551 7.254 4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.264 6.784 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.455 7.502 5.665 1.00 0.00 H new ATOM 779 N ALA A 57 5.062 10.587 5.618 1.00 0.00 N ATOM 780 CA ALA A 57 4.119 11.592 6.090 1.00 0.00 C ATOM 781 C ALA A 57 4.382 12.943 5.433 1.00 0.00 C ATOM 782 O ALA A 57 3.458 13.601 4.955 1.00 0.00 O ATOM 783 CB ALA A 57 4.195 11.717 7.605 1.00 0.00 C ATOM 0 H ALA A 57 5.868 10.446 6.227 1.00 0.00 H new ATOM 0 HA ALA A 57 3.115 11.271 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.485 12.471 7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.951 10.758 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.203 12.011 7.896 1.00 0.00 H new ATOM 789 N ARG A 58 5.647 13.350 5.413 1.00 0.00 N ATOM 790 CA ARG A 58 6.030 14.624 4.816 1.00 0.00 C ATOM 791 C ARG A 58 5.267 14.867 3.517 1.00 0.00 C ATOM 792 O ARG A 58 4.912 16.001 3.197 1.00 0.00 O ATOM 793 CB ARG A 58 7.536 14.653 4.549 1.00 0.00 C ATOM 794 CG ARG A 58 8.369 14.933 5.789 1.00 0.00 C ATOM 795 CD ARG A 58 8.636 16.421 5.958 1.00 0.00 C ATOM 796 NE ARG A 58 7.582 17.082 6.723 1.00 0.00 N ATOM 797 CZ ARG A 58 6.491 17.603 6.174 1.00 0.00 C ATOM 798 NH1 ARG A 58 6.310 17.538 4.862 1.00 0.00 N ATOM 799 NH2 ARG A 58 5.577 18.189 6.937 1.00 0.00 N ATOM 0 H ARG A 58 6.424 12.816 5.803 1.00 0.00 H new ATOM 0 HA ARG A 58 5.777 15.417 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.840 13.695 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.749 15.415 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.851 14.553 6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.316 14.398 5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.593 16.563 6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.719 16.888 4.977 1.00 0.00 H new ATOM 0 HE ARG A 58 7.690 17.147 7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.010 17.087 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.471 17.939 4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.712 18.240 7.947 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.739 18.589 6.514 1.00 0.00 H new ATOM 813 N ASP A 59 5.019 13.794 2.774 1.00 0.00 N ATOM 814 CA ASP A 59 4.299 13.890 1.510 1.00 0.00 C ATOM 815 C ASP A 59 2.793 13.791 1.734 1.00 0.00 C ATOM 816 O ASP A 59 2.017 14.543 1.147 1.00 0.00 O ATOM 817 CB ASP A 59 4.758 12.790 0.551 1.00 0.00 C ATOM 818 CG ASP A 59 4.649 13.206 -0.903 1.00 0.00 C ATOM 819 OD1 ASP A 59 4.407 14.404 -1.160 1.00 0.00 O ATOM 820 OD2 ASP A 59 4.804 12.334 -1.783 1.00 0.00 O ATOM 0 H ASP A 59 5.306 12.848 3.025 1.00 0.00 H new ATOM 0 HA ASP A 59 4.520 14.861 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.792 12.526 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.158 11.895 0.716 1.00 0.00 H new ATOM 825 N GLY A 60 2.387 12.855 2.587 1.00 0.00 N ATOM 826 CA GLY A 60 0.976 12.674 2.873 1.00 0.00 C ATOM 827 C GLY A 60 0.258 11.906 1.781 1.00 0.00 C ATOM 828 O GLY A 60 -0.892 12.205 1.456 1.00 0.00 O ATOM 0 H GLY A 60 3.010 12.219 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.865 12.144 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.505 13.649 2.997 1.00 0.00 H new ATOM 832 N ARG A 61 0.936 10.916 1.211 1.00 0.00 N ATOM 833 CA ARG A 61 0.356 10.105 0.147 1.00 0.00 C ATOM 834 C ARG A 61 -0.283 8.841 0.714 1.00 0.00 C ATOM 835 O ARG A 61 -1.301 8.367 0.208 1.00 0.00 O ATOM 836 CB ARG A 61 1.427 9.732 -0.880 1.00 0.00 C ATOM 837 CG ARG A 61 2.318 10.896 -1.282 1.00 0.00 C ATOM 838 CD ARG A 61 1.656 11.764 -2.340 1.00 0.00 C ATOM 839 NE ARG A 61 1.281 10.994 -3.523 1.00 0.00 N ATOM 840 CZ ARG A 61 0.806 11.542 -4.637 1.00 0.00 C ATOM 841 NH1 ARG A 61 0.649 12.856 -4.718 1.00 0.00 N ATOM 842 NH2 ARG A 61 0.487 10.774 -5.671 1.00 0.00 N ATOM 0 H ARG A 61 1.888 10.656 1.468 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.419 10.694 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.048 8.935 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.941 9.333 -1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.547 11.501 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.266 10.516 -1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.769 12.236 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.336 12.565 -2.629 1.00 0.00 H new ATOM 0 HE ARG A 61 1.390 9.980 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.893 13.449 -3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.284 13.274 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.606 9.763 -5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.123 11.195 -6.526 1.00 0.00 H new ATOM 856 N LEU A 62 0.320 8.299 1.766 1.00 0.00 N ATOM 857 CA LEU A 62 -0.190 7.090 2.402 1.00 0.00 C ATOM 858 C LEU A 62 -0.867 7.416 3.729 1.00 0.00 C ATOM 859 O LEU A 62 -0.230 7.916 4.656 1.00 0.00 O ATOM 860 CB LEU A 62 0.947 6.091 2.628 1.00 0.00 C ATOM 861 CG LEU A 62 1.434 5.337 1.390 1.00 0.00 C ATOM 862 CD1 LEU A 62 2.448 4.272 1.779 1.00 0.00 C ATOM 863 CD2 LEU A 62 0.261 4.714 0.649 1.00 0.00 C ATOM 0 H LEU A 62 1.163 8.678 2.197 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.931 6.645 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.793 6.626 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.620 5.361 3.368 1.00 0.00 H new ATOM 0 HG LEU A 62 1.922 6.048 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.784 3.746 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.302 4.743 2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.986 3.563 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.627 4.182 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.256 4.016 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.430 5.497 0.337 1.00 0.00 H new ATOM 875 N TRP A 63 -2.161 7.128 3.813 1.00 0.00 N ATOM 876 CA TRP A 63 -2.924 7.389 5.028 1.00 0.00 C ATOM 877 C TRP A 63 -3.253 6.089 5.754 1.00 0.00 C ATOM 878 O TRP A 63 -3.638 5.100 5.131 1.00 0.00 O ATOM 879 CB TRP A 63 -4.213 8.141 4.694 1.00 0.00 C ATOM 880 CG TRP A 63 -4.023 9.219 3.669 1.00 0.00 C ATOM 881 CD1 TRP A 63 -2.843 9.796 3.296 1.00 0.00 C ATOM 882 CD2 TRP A 63 -5.044 9.849 2.889 1.00 0.00 C ATOM 883 NE1 TRP A 63 -3.069 10.746 2.330 1.00 0.00 N ATOM 884 CE2 TRP A 63 -4.412 10.798 2.062 1.00 0.00 C ATOM 885 CE3 TRP A 63 -6.432 9.702 2.806 1.00 0.00 C ATOM 886 CZ2 TRP A 63 -5.120 11.595 1.167 1.00 0.00 C ATOM 887 CZ3 TRP A 63 -7.133 10.495 1.917 1.00 0.00 C ATOM 888 CH2 TRP A 63 -6.477 11.431 1.107 1.00 0.00 C ATOM 0 H TRP A 63 -2.703 6.714 3.055 1.00 0.00 H new ATOM 0 HA TRP A 63 -2.312 8.006 5.686 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -4.956 7.431 4.331 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.614 8.583 5.606 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -1.874 9.543 3.701 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -2.353 11.320 1.884 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -6.947 8.982 3.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.616 12.317 0.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -8.206 10.391 1.846 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -7.054 12.035 0.422 1.00 0.00 H new ATOM 899 N ALA A 64 -3.100 6.098 7.074 1.00 0.00 N ATOM 900 CA ALA A 64 -3.384 4.920 7.884 1.00 0.00 C ATOM 901 C ALA A 64 -4.765 4.356 7.569 1.00 0.00 C ATOM 902 O ALA A 64 -5.765 4.776 8.150 1.00 0.00 O ATOM 903 CB ALA A 64 -3.275 5.258 9.364 1.00 0.00 C ATOM 0 H ALA A 64 -2.781 6.908 7.605 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.645 4.157 7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.490 4.369 9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.266 5.606 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.991 6.041 9.612 1.00 0.00 H new ATOM 909 N GLY A 65 -4.813 3.403 6.644 1.00 0.00 N ATOM 910 CA GLY A 65 -6.077 2.798 6.267 1.00 0.00 C ATOM 911 C GLY A 65 -6.140 2.457 4.791 1.00 0.00 C ATOM 912 O GLY A 65 -7.206 2.513 4.178 1.00 0.00 O ATOM 0 H GLY A 65 -3.999 3.039 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.231 1.892 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.891 3.480 6.514 1.00 0.00 H new ATOM 916 N ASP A 66 -4.994 2.103 4.219 1.00 0.00 N ATOM 917 CA ASP A 66 -4.922 1.752 2.805 1.00 0.00 C ATOM 918 C ASP A 66 -4.448 0.313 2.626 1.00 0.00 C ATOM 919 O ASP A 66 -3.771 -0.239 3.493 1.00 0.00 O ATOM 920 CB ASP A 66 -3.983 2.707 2.067 1.00 0.00 C ATOM 921 CG ASP A 66 -4.154 2.640 0.562 1.00 0.00 C ATOM 922 OD1 ASP A 66 -4.092 1.523 0.008 1.00 0.00 O ATOM 923 OD2 ASP A 66 -4.349 3.705 -0.061 1.00 0.00 O ATOM 0 H ASP A 66 -4.103 2.052 4.712 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.923 1.841 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.167 3.727 2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.951 2.467 2.323 1.00 0.00 H new ATOM 928 N GLN A 67 -4.809 -0.288 1.497 1.00 0.00 N ATOM 929 CA GLN A 67 -4.422 -1.663 1.206 1.00 0.00 C ATOM 930 C GLN A 67 -3.360 -1.709 0.111 1.00 0.00 C ATOM 931 O GLN A 67 -3.629 -1.369 -1.042 1.00 0.00 O ATOM 932 CB GLN A 67 -5.643 -2.481 0.783 1.00 0.00 C ATOM 933 CG GLN A 67 -6.379 -3.122 1.949 1.00 0.00 C ATOM 934 CD GLN A 67 -7.727 -3.688 1.548 1.00 0.00 C ATOM 935 OE1 GLN A 67 -8.773 -3.159 1.926 1.00 0.00 O ATOM 936 NE2 GLN A 67 -7.709 -4.770 0.778 1.00 0.00 N ATOM 0 H GLN A 67 -5.369 0.156 0.769 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.001 -2.095 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.333 -1.835 0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.325 -3.261 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.765 -3.919 2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.520 -2.381 2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.819 -5.175 0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.585 -5.196 0.476 1.00 0.00 H new ATOM 945 N ILE A 68 -2.156 -2.132 0.479 1.00 0.00 N ATOM 946 CA ILE A 68 -1.055 -2.224 -0.472 1.00 0.00 C ATOM 947 C ILE A 68 -1.136 -3.512 -1.284 1.00 0.00 C ATOM 948 O ILE A 68 -1.641 -4.529 -0.807 1.00 0.00 O ATOM 949 CB ILE A 68 0.310 -2.163 0.239 1.00 0.00 C ATOM 950 CG1 ILE A 68 0.431 -0.870 1.048 1.00 0.00 C ATOM 951 CG2 ILE A 68 1.440 -2.269 -0.774 1.00 0.00 C ATOM 952 CD1 ILE A 68 -0.056 -1.001 2.474 1.00 0.00 C ATOM 0 H ILE A 68 -1.918 -2.417 1.429 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.145 -1.369 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 68 0.384 -3.007 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.474 -0.553 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.137 -0.085 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.398 -2.224 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.361 -3.215 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.372 -1.444 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.060 -0.046 2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.108 -1.288 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.528 -1.763 2.989 1.00 0.00 H new ATOM 964 N LEU A 69 -0.634 -3.462 -2.513 1.00 0.00 N ATOM 965 CA LEU A 69 -0.647 -4.626 -3.393 1.00 0.00 C ATOM 966 C LEU A 69 0.766 -4.985 -3.842 1.00 0.00 C ATOM 967 O LEU A 69 1.085 -6.156 -4.040 1.00 0.00 O ATOM 968 CB LEU A 69 -1.530 -4.357 -4.613 1.00 0.00 C ATOM 969 CG LEU A 69 -2.997 -4.040 -4.323 1.00 0.00 C ATOM 970 CD1 LEU A 69 -3.642 -3.358 -5.519 1.00 0.00 C ATOM 971 CD2 LEU A 69 -3.755 -5.308 -3.957 1.00 0.00 C ATOM 0 H LEU A 69 -0.213 -2.628 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.056 -5.469 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.102 -3.523 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.490 -5.229 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.040 -3.357 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.686 -3.140 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.116 -2.428 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.587 -4.016 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.797 -5.063 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.703 -6.015 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.308 -5.756 -3.069 1.00 0.00 H new ATOM 983 N GLU A 70 1.608 -3.968 -3.999 1.00 0.00 N ATOM 984 CA GLU A 70 2.987 -4.178 -4.423 1.00 0.00 C ATOM 985 C GLU A 70 3.897 -3.083 -3.875 1.00 0.00 C ATOM 986 O GLU A 70 3.432 -2.014 -3.478 1.00 0.00 O ATOM 987 CB GLU A 70 3.074 -4.212 -5.951 1.00 0.00 C ATOM 988 CG GLU A 70 4.365 -4.820 -6.473 1.00 0.00 C ATOM 989 CD GLU A 70 4.202 -5.446 -7.844 1.00 0.00 C ATOM 990 OE1 GLU A 70 3.050 -5.735 -8.230 1.00 0.00 O ATOM 991 OE2 GLU A 70 5.225 -5.646 -8.531 1.00 0.00 O ATOM 0 H GLU A 70 1.359 -2.992 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 70 3.321 -5.136 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.230 -4.780 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.979 -3.196 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.133 -4.048 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.716 -5.577 -5.771 1.00 0.00 H new ATOM 998 N VAL A 71 5.198 -3.357 -3.856 1.00 0.00 N ATOM 999 CA VAL A 71 6.175 -2.396 -3.358 1.00 0.00 C ATOM 1000 C VAL A 71 7.490 -2.504 -4.120 1.00 0.00 C ATOM 1001 O VAL A 71 8.034 -3.594 -4.289 1.00 0.00 O ATOM 1002 CB VAL A 71 6.446 -2.600 -1.856 1.00 0.00 C ATOM 1003 CG1 VAL A 71 7.064 -3.968 -1.606 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.345 -1.495 -1.322 1.00 0.00 C ATOM 0 H VAL A 71 5.600 -4.237 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 71 5.751 -1.404 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 71 5.496 -2.554 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.249 -4.094 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.381 -4.744 -1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.006 -4.046 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.526 -1.655 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.294 -1.507 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.860 -0.530 -1.466 1.00 0.00 H new ATOM 1014 N ASN A 72 7.997 -1.364 -4.579 1.00 0.00 N ATOM 1015 CA ASN A 72 9.251 -1.330 -5.324 1.00 0.00 C ATOM 1016 C ASN A 72 9.333 -2.498 -6.303 1.00 0.00 C ATOM 1017 O ASN A 72 10.420 -2.980 -6.620 1.00 0.00 O ATOM 1018 CB ASN A 72 10.441 -1.370 -4.363 1.00 0.00 C ATOM 1019 CG ASN A 72 11.652 -0.640 -4.912 1.00 0.00 C ATOM 1020 OD1 ASN A 72 11.508 0.661 -5.133 1.00 0.00 O flip ATOM 1021 ND2 ASN A 72 12.703 -1.240 -5.135 1.00 0.00 N flip ATOM 0 H ASN A 72 7.559 -0.452 -4.448 1.00 0.00 H new ATOM 0 HA ASN A 72 9.283 -0.400 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.151 -0.924 -3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.706 -2.408 -4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.768 -2.241 -4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.509 -0.736 -5.505 1.00 0.00 H new ATOM 1028 N GLY A 73 8.176 -2.947 -6.778 1.00 0.00 N ATOM 1029 CA GLY A 73 8.139 -4.054 -7.716 1.00 0.00 C ATOM 1030 C GLY A 73 8.194 -5.402 -7.025 1.00 0.00 C ATOM 1031 O GLY A 73 8.748 -6.361 -7.562 1.00 0.00 O ATOM 0 H GLY A 73 7.264 -2.564 -6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.228 -3.991 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.978 -3.969 -8.407 1.00 0.00 H new ATOM 1035 N VAL A 74 7.619 -5.475 -5.829 1.00 0.00 N ATOM 1036 CA VAL A 74 7.606 -6.716 -5.062 1.00 0.00 C ATOM 1037 C VAL A 74 6.205 -7.027 -4.546 1.00 0.00 C ATOM 1038 O VAL A 74 5.768 -6.476 -3.536 1.00 0.00 O ATOM 1039 CB VAL A 74 8.577 -6.649 -3.869 1.00 0.00 C ATOM 1040 CG1 VAL A 74 8.425 -7.879 -2.987 1.00 0.00 C ATOM 1041 CG2 VAL A 74 10.011 -6.507 -4.358 1.00 0.00 C ATOM 0 H VAL A 74 7.156 -4.690 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 74 7.927 -7.509 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 74 8.332 -5.771 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.119 -7.814 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.404 -7.932 -2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.643 -8.774 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.684 -6.461 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.271 -7.365 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.107 -5.593 -4.944 1.00 0.00 H new ATOM 1051 N ASP A 75 5.507 -7.914 -5.247 1.00 0.00 N ATOM 1052 CA ASP A 75 4.155 -8.301 -4.859 1.00 0.00 C ATOM 1053 C ASP A 75 4.087 -8.615 -3.367 1.00 0.00 C ATOM 1054 O ASP A 75 4.856 -9.431 -2.858 1.00 0.00 O ATOM 1055 CB ASP A 75 3.696 -9.514 -5.670 1.00 0.00 C ATOM 1056 CG ASP A 75 2.213 -9.786 -5.515 1.00 0.00 C ATOM 1057 OD1 ASP A 75 1.406 -9.002 -6.059 1.00 0.00 O ATOM 1058 OD2 ASP A 75 1.859 -10.783 -4.852 1.00 0.00 O ATOM 0 H ASP A 75 5.854 -8.378 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 75 3.490 -7.463 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.924 -9.351 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.259 -10.393 -5.354 1.00 0.00 H new ATOM 1063 N LEU A 76 3.162 -7.962 -2.672 1.00 0.00 N ATOM 1064 CA LEU A 76 2.994 -8.170 -1.238 1.00 0.00 C ATOM 1065 C LEU A 76 1.706 -8.934 -0.947 1.00 0.00 C ATOM 1066 O LEU A 76 1.537 -9.495 0.136 1.00 0.00 O ATOM 1067 CB LEU A 76 2.982 -6.828 -0.506 1.00 0.00 C ATOM 1068 CG LEU A 76 4.130 -5.873 -0.834 1.00 0.00 C ATOM 1069 CD1 LEU A 76 3.911 -4.524 -0.167 1.00 0.00 C ATOM 1070 CD2 LEU A 76 5.461 -6.473 -0.403 1.00 0.00 C ATOM 0 H LEU A 76 2.517 -7.284 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 76 3.835 -8.763 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.042 -6.324 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.993 -7.022 0.567 1.00 0.00 H new ATOM 0 HG LEU A 76 4.154 -5.721 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.738 -3.858 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.977 -4.089 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.860 -4.656 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.267 -5.780 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.447 -6.654 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.623 -7.415 -0.928 1.00 0.00 H new ATOM 1082 N ARG A 77 0.801 -8.951 -1.920 1.00 0.00 N ATOM 1083 CA ARG A 77 -0.471 -9.646 -1.768 1.00 0.00 C ATOM 1084 C ARG A 77 -0.257 -11.061 -1.238 1.00 0.00 C ATOM 1085 O ARG A 77 -1.152 -11.649 -0.631 1.00 0.00 O ATOM 1086 CB ARG A 77 -1.211 -9.698 -3.106 1.00 0.00 C ATOM 1087 CG ARG A 77 -1.635 -8.332 -3.621 1.00 0.00 C ATOM 1088 CD ARG A 77 -2.047 -8.391 -5.083 1.00 0.00 C ATOM 1089 NE ARG A 77 -3.438 -8.805 -5.244 1.00 0.00 N ATOM 1090 CZ ARG A 77 -3.829 -10.074 -5.276 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -2.937 -11.048 -5.158 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -5.113 -10.370 -5.425 1.00 0.00 N ATOM 0 H ARG A 77 0.925 -8.491 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.075 -9.094 -1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.570 -10.174 -3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.095 -10.327 -2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.466 -7.958 -3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.813 -7.626 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.905 -7.411 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.398 -9.087 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.149 -8.079 -5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.949 -10.823 -5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.239 -12.022 -5.183 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.801 -9.623 -5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.412 -11.345 -5.449 1.00 0.00 H new ATOM 1106 N ASN A 78 0.934 -11.602 -1.472 1.00 0.00 N ATOM 1107 CA ASN A 78 1.265 -12.948 -1.019 1.00 0.00 C ATOM 1108 C ASN A 78 2.331 -12.908 0.071 1.00 0.00 C ATOM 1109 O ASN A 78 2.388 -13.788 0.931 1.00 0.00 O ATOM 1110 CB ASN A 78 1.751 -13.799 -2.194 1.00 0.00 C ATOM 1111 CG ASN A 78 1.688 -15.285 -1.897 1.00 0.00 C ATOM 1112 OD1 ASN A 78 0.938 -15.723 -1.024 1.00 0.00 O ATOM 1113 ND2 ASN A 78 2.477 -16.067 -2.624 1.00 0.00 N ATOM 0 H ASN A 78 1.686 -11.129 -1.973 1.00 0.00 H new ATOM 0 HA ASN A 78 0.363 -13.397 -0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.144 -13.581 -3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.777 -13.523 -2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.478 -17.075 -2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.082 -15.660 -3.337 1.00 0.00 H new ATOM 1120 N SER A 79 3.175 -11.882 0.029 1.00 0.00 N ATOM 1121 CA SER A 79 4.242 -11.729 1.010 1.00 0.00 C ATOM 1122 C SER A 79 3.675 -11.675 2.426 1.00 0.00 C ATOM 1123 O SER A 79 2.618 -11.089 2.661 1.00 0.00 O ATOM 1124 CB SER A 79 5.050 -10.462 0.724 1.00 0.00 C ATOM 1125 OG SER A 79 5.528 -10.453 -0.610 1.00 0.00 O ATOM 0 H SER A 79 3.140 -11.144 -0.674 1.00 0.00 H new ATOM 0 HA SER A 79 4.899 -12.595 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.428 -9.584 0.897 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.890 -10.399 1.415 1.00 0.00 H new ATOM 0 HG SER A 79 4.787 -10.261 -1.222 1.00 0.00 H new ATOM 1131 N SER A 80 4.386 -12.291 3.365 1.00 0.00 N ATOM 1132 CA SER A 80 3.952 -12.317 4.757 1.00 0.00 C ATOM 1133 C SER A 80 4.227 -10.979 5.437 1.00 0.00 C ATOM 1134 O SER A 80 4.665 -10.023 4.797 1.00 0.00 O ATOM 1135 CB SER A 80 4.663 -13.442 5.514 1.00 0.00 C ATOM 1136 OG SER A 80 5.872 -12.982 6.092 1.00 0.00 O ATOM 0 H SER A 80 5.264 -12.778 3.187 1.00 0.00 H new ATOM 0 HA SER A 80 2.877 -12.499 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.008 -13.831 6.294 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.872 -14.267 4.833 1.00 0.00 H new ATOM 0 HG SER A 80 6.306 -13.718 6.571 1.00 0.00 H new ATOM 1142 N HIS A 81 3.965 -10.919 6.739 1.00 0.00 N ATOM 1143 CA HIS A 81 4.184 -9.699 7.507 1.00 0.00 C ATOM 1144 C HIS A 81 5.636 -9.244 7.402 1.00 0.00 C ATOM 1145 O HIS A 81 5.929 -8.208 6.805 1.00 0.00 O ATOM 1146 CB HIS A 81 3.812 -9.921 8.973 1.00 0.00 C ATOM 1147 CG HIS A 81 3.945 -8.691 9.818 1.00 0.00 C ATOM 1148 ND1 HIS A 81 3.265 -7.521 9.556 1.00 0.00 N ATOM 1149 CD2 HIS A 81 4.685 -8.455 10.927 1.00 0.00 C ATOM 1150 CE1 HIS A 81 3.582 -6.617 10.465 1.00 0.00 C ATOM 1151 NE2 HIS A 81 4.442 -7.158 11.309 1.00 0.00 N ATOM 0 H HIS A 81 3.601 -11.701 7.284 1.00 0.00 H new ATOM 0 HA HIS A 81 3.546 -8.918 7.092 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.784 -10.280 9.028 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.446 -10.705 9.385 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.343 -9.156 11.419 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.203 -5.607 10.511 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.858 -6.689 12.114 1.00 0.00 H new ATOM 1160 N GLU A 82 6.540 -10.024 7.986 1.00 0.00 N ATOM 1161 CA GLU A 82 7.961 -9.699 7.958 1.00 0.00 C ATOM 1162 C GLU A 82 8.418 -9.378 6.538 1.00 0.00 C ATOM 1163 O GLU A 82 9.044 -8.347 6.294 1.00 0.00 O ATOM 1164 CB GLU A 82 8.784 -10.860 8.520 1.00 0.00 C ATOM 1165 CG GLU A 82 8.489 -11.164 9.980 1.00 0.00 C ATOM 1166 CD GLU A 82 8.849 -12.586 10.364 1.00 0.00 C ATOM 1167 OE1 GLU A 82 10.040 -12.841 10.641 1.00 0.00 O ATOM 1168 OE2 GLU A 82 7.942 -13.443 10.387 1.00 0.00 O ATOM 0 H GLU A 82 6.314 -10.885 8.484 1.00 0.00 H new ATOM 0 HA GLU A 82 8.118 -8.818 8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.591 -11.753 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.844 -10.629 8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.044 -10.470 10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.430 -10.996 10.175 1.00 0.00 H new ATOM 1175 N GLU A 83 8.101 -10.271 5.605 1.00 0.00 N ATOM 1176 CA GLU A 83 8.480 -10.083 4.209 1.00 0.00 C ATOM 1177 C GLU A 83 8.139 -8.673 3.737 1.00 0.00 C ATOM 1178 O GLU A 83 8.940 -8.020 3.069 1.00 0.00 O ATOM 1179 CB GLU A 83 7.776 -11.114 3.323 1.00 0.00 C ATOM 1180 CG GLU A 83 8.434 -12.483 3.342 1.00 0.00 C ATOM 1181 CD GLU A 83 9.925 -12.418 3.070 1.00 0.00 C ATOM 1182 OE1 GLU A 83 10.313 -12.461 1.883 1.00 0.00 O ATOM 1183 OE2 GLU A 83 10.702 -12.324 4.042 1.00 0.00 O ATOM 0 H GLU A 83 7.584 -11.130 5.790 1.00 0.00 H new ATOM 0 HA GLU A 83 9.558 -10.222 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.740 -11.213 3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.754 -10.745 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.266 -12.949 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.960 -13.120 2.596 1.00 0.00 H new ATOM 1190 N ALA A 84 6.943 -8.211 4.088 1.00 0.00 N ATOM 1191 CA ALA A 84 6.496 -6.878 3.703 1.00 0.00 C ATOM 1192 C ALA A 84 7.353 -5.800 4.357 1.00 0.00 C ATOM 1193 O ALA A 84 7.571 -4.734 3.782 1.00 0.00 O ATOM 1194 CB ALA A 84 5.032 -6.686 4.070 1.00 0.00 C ATOM 0 H ALA A 84 6.267 -8.740 4.638 1.00 0.00 H new ATOM 0 HA ALA A 84 6.604 -6.784 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.711 -5.686 3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.426 -7.428 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.908 -6.806 5.146 1.00 0.00 H new ATOM 1200 N ILE A 85 7.836 -6.085 5.562 1.00 0.00 N ATOM 1201 CA ILE A 85 8.669 -5.139 6.293 1.00 0.00 C ATOM 1202 C ILE A 85 10.015 -4.944 5.603 1.00 0.00 C ATOM 1203 O ILE A 85 10.446 -3.815 5.366 1.00 0.00 O ATOM 1204 CB ILE A 85 8.910 -5.605 7.742 1.00 0.00 C ATOM 1205 CG1 ILE A 85 7.577 -5.863 8.446 1.00 0.00 C ATOM 1206 CG2 ILE A 85 9.726 -4.569 8.502 1.00 0.00 C ATOM 1207 CD1 ILE A 85 6.771 -4.607 8.693 1.00 0.00 C ATOM 0 H ILE A 85 7.665 -6.963 6.052 1.00 0.00 H new ATOM 0 HA ILE A 85 8.131 -4.191 6.309 1.00 0.00 H new ATOM 0 HB ILE A 85 9.473 -6.538 7.720 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.985 -6.552 7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.768 -6.356 9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.888 -4.912 9.524 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.688 -4.430 8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.187 -3.622 8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.839 -4.866 9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.344 -3.925 9.321 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.549 -4.124 7.741 1.00 0.00 H new ATOM 1219 N THR A 86 10.675 -6.052 5.281 1.00 0.00 N ATOM 1220 CA THR A 86 11.971 -6.004 4.617 1.00 0.00 C ATOM 1221 C THR A 86 11.866 -5.329 3.254 1.00 0.00 C ATOM 1222 O THR A 86 12.709 -4.509 2.891 1.00 0.00 O ATOM 1223 CB THR A 86 12.562 -7.415 4.434 1.00 0.00 C ATOM 1224 OG1 THR A 86 12.614 -8.091 5.695 1.00 0.00 O ATOM 1225 CG2 THR A 86 13.957 -7.344 3.833 1.00 0.00 C ATOM 0 H THR A 86 10.333 -6.994 5.470 1.00 0.00 H new ATOM 0 HA THR A 86 12.633 -5.422 5.258 1.00 0.00 H new ATOM 0 HB THR A 86 11.918 -7.969 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.989 -8.988 5.570 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.353 -8.352 3.713 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.910 -6.855 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.609 -6.774 4.494 1.00 0.00 H new ATOM 1233 N ALA A 87 10.826 -5.679 2.505 1.00 0.00 N ATOM 1234 CA ALA A 87 10.610 -5.104 1.183 1.00 0.00 C ATOM 1235 C ALA A 87 10.513 -3.584 1.254 1.00 0.00 C ATOM 1236 O ALA A 87 10.679 -2.893 0.248 1.00 0.00 O ATOM 1237 CB ALA A 87 9.353 -5.686 0.553 1.00 0.00 C ATOM 0 H ALA A 87 10.120 -6.358 2.791 1.00 0.00 H new ATOM 0 HA ALA A 87 11.467 -5.358 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.204 -5.248 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.461 -6.766 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.493 -5.461 1.183 1.00 0.00 H new ATOM 1243 N LEU A 88 10.243 -3.068 2.448 1.00 0.00 N ATOM 1244 CA LEU A 88 10.124 -1.629 2.651 1.00 0.00 C ATOM 1245 C LEU A 88 11.474 -1.015 3.009 1.00 0.00 C ATOM 1246 O LEU A 88 11.727 0.157 2.732 1.00 0.00 O ATOM 1247 CB LEU A 88 9.107 -1.332 3.754 1.00 0.00 C ATOM 1248 CG LEU A 88 7.658 -1.150 3.301 1.00 0.00 C ATOM 1249 CD1 LEU A 88 6.699 -1.487 4.431 1.00 0.00 C ATOM 1250 CD2 LEU A 88 7.428 0.272 2.809 1.00 0.00 C ATOM 0 H LEU A 88 10.102 -3.625 3.291 1.00 0.00 H new ATOM 0 HA LEU A 88 9.779 -1.183 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.140 -2.145 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.420 -0.427 4.275 1.00 0.00 H new ATOM 0 HG LEU A 88 7.467 -1.835 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.673 -1.352 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.846 -2.523 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.889 -0.828 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.392 0.384 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.637 0.974 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.090 0.478 1.968 1.00 0.00 H new ATOM 1262 N ARG A 89 12.338 -1.816 3.623 1.00 0.00 N ATOM 1263 CA ARG A 89 13.662 -1.353 4.018 1.00 0.00 C ATOM 1264 C ARG A 89 14.638 -1.434 2.848 1.00 0.00 C ATOM 1265 O ARG A 89 15.552 -0.618 2.732 1.00 0.00 O ATOM 1266 CB ARG A 89 14.187 -2.182 5.192 1.00 0.00 C ATOM 1267 CG ARG A 89 13.211 -2.281 6.352 1.00 0.00 C ATOM 1268 CD ARG A 89 13.735 -3.201 7.444 1.00 0.00 C ATOM 1269 NE ARG A 89 13.102 -2.936 8.733 1.00 0.00 N ATOM 1270 CZ ARG A 89 13.009 -3.837 9.705 1.00 0.00 C ATOM 1271 NH1 ARG A 89 13.506 -5.054 9.535 1.00 0.00 N ATOM 1272 NH2 ARG A 89 12.419 -3.520 10.851 1.00 0.00 N ATOM 0 H ARG A 89 12.144 -2.790 3.858 1.00 0.00 H new ATOM 0 HA ARG A 89 13.577 -0.311 4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.423 -3.186 4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.118 -1.742 5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.034 -1.288 6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.252 -2.652 5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.558 -4.238 7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.814 -3.075 7.537 1.00 0.00 H new ATOM 0 HE ARG A 89 12.710 -2.009 8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.961 -5.301 8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.433 -5.744 10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.037 -2.584 10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 89 12.348 -4.212 11.597 1.00 0.00 H new ATOM 1286 N GLN A 90 14.437 -2.423 1.984 1.00 0.00 N ATOM 1287 CA GLN A 90 15.300 -2.611 0.823 1.00 0.00 C ATOM 1288 C GLN A 90 14.870 -1.705 -0.326 1.00 0.00 C ATOM 1289 O GLN A 90 15.295 -1.889 -1.468 1.00 0.00 O ATOM 1290 CB GLN A 90 15.274 -4.073 0.373 1.00 0.00 C ATOM 1291 CG GLN A 90 15.603 -5.057 1.484 1.00 0.00 C ATOM 1292 CD GLN A 90 16.879 -4.700 2.221 1.00 0.00 C ATOM 1293 OE1 GLN A 90 17.878 -4.320 1.609 1.00 0.00 O ATOM 1294 NE2 GLN A 90 16.853 -4.821 3.543 1.00 0.00 N ATOM 0 H GLN A 90 13.684 -3.107 2.065 1.00 0.00 H new ATOM 0 HA GLN A 90 16.317 -2.345 1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 90 14.286 -4.304 -0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 90 15.986 -4.206 -0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 90 14.775 -5.089 2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.700 -6.057 1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 90 16.004 -5.139 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 90 17.682 -4.595 4.092 1.00 0.00 H new ATOM 1303 N THR A 91 14.025 -0.727 -0.019 1.00 0.00 N ATOM 1304 CA THR A 91 13.537 0.207 -1.026 1.00 0.00 C ATOM 1305 C THR A 91 14.498 1.377 -1.203 1.00 0.00 C ATOM 1306 O THR A 91 15.012 1.940 -0.237 1.00 0.00 O ATOM 1307 CB THR A 91 12.144 0.752 -0.658 1.00 0.00 C ATOM 1308 OG1 THR A 91 12.235 1.588 0.501 1.00 0.00 O ATOM 1309 CG2 THR A 91 11.170 -0.386 -0.393 1.00 0.00 C ATOM 0 H THR A 91 13.664 -0.561 0.920 1.00 0.00 H new ATOM 0 HA THR A 91 13.467 -0.346 -1.963 1.00 0.00 H new ATOM 0 HB THR A 91 11.774 1.337 -1.500 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.158 1.038 1.308 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.193 0.024 -0.135 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.080 -1.003 -1.287 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.538 -0.995 0.433 1.00 0.00 H new ATOM 1317 N PRO A 92 14.747 1.753 -2.466 1.00 0.00 N ATOM 1318 CA PRO A 92 15.647 2.861 -2.799 1.00 0.00 C ATOM 1319 C PRO A 92 15.068 4.216 -2.406 1.00 0.00 C ATOM 1320 O PRO A 92 13.889 4.324 -2.072 1.00 0.00 O ATOM 1321 CB PRO A 92 15.786 2.760 -4.320 1.00 0.00 C ATOM 1322 CG PRO A 92 14.541 2.077 -4.770 1.00 0.00 C ATOM 1323 CD PRO A 92 14.168 1.126 -3.666 1.00 0.00 C ATOM 0 HA PRO A 92 16.595 2.791 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.883 3.746 -4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.673 2.191 -4.600 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.744 2.798 -4.950 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.705 1.543 -5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.087 1.015 -3.580 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.578 0.131 -3.837 1.00 0.00 H new ATOM 1331 N GLN A 93 15.906 5.247 -2.448 1.00 0.00 N ATOM 1332 CA GLN A 93 15.477 6.595 -2.095 1.00 0.00 C ATOM 1333 C GLN A 93 14.056 6.858 -2.582 1.00 0.00 C ATOM 1334 O GLN A 93 13.245 7.453 -1.872 1.00 0.00 O ATOM 1335 CB GLN A 93 16.432 7.630 -2.692 1.00 0.00 C ATOM 1336 CG GLN A 93 16.505 8.922 -1.894 1.00 0.00 C ATOM 1337 CD GLN A 93 17.418 9.951 -2.531 1.00 0.00 C ATOM 1338 OE1 GLN A 93 17.322 10.227 -3.728 1.00 0.00 O ATOM 1339 NE2 GLN A 93 18.310 10.525 -1.734 1.00 0.00 N ATOM 0 H GLN A 93 16.886 5.174 -2.723 1.00 0.00 H new ATOM 0 HA GLN A 93 15.492 6.681 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 93 17.430 7.196 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.116 7.859 -3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.504 9.341 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 93 16.858 8.703 -0.886 1.00 0.00 H new ATOM 0 HE21 GLN A 93 18.354 10.266 -0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 93 18.951 11.225 -2.107 1.00 0.00 H new ATOM 1348 N LYS A 94 13.760 6.411 -3.798 1.00 0.00 N ATOM 1349 CA LYS A 94 12.436 6.597 -4.380 1.00 0.00 C ATOM 1350 C LYS A 94 11.582 5.346 -4.200 1.00 0.00 C ATOM 1351 O LYS A 94 11.597 4.446 -5.040 1.00 0.00 O ATOM 1352 CB LYS A 94 12.554 6.937 -5.868 1.00 0.00 C ATOM 1353 CG LYS A 94 12.918 8.388 -6.133 1.00 0.00 C ATOM 1354 CD LYS A 94 12.348 8.873 -7.455 1.00 0.00 C ATOM 1355 CE LYS A 94 13.267 8.531 -8.618 1.00 0.00 C ATOM 1356 NZ LYS A 94 13.106 7.117 -9.055 1.00 0.00 N ATOM 0 H LYS A 94 14.419 5.917 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 94 11.951 7.424 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 94 13.308 6.293 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.607 6.713 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.542 9.012 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.003 8.496 -6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.370 8.421 -7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.198 9.952 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.056 9.196 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.303 8.705 -8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.423 7.020 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.678 6.498 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.105 6.844 -8.984 1.00 0.00 H new ATOM 1370 N VAL A 95 10.837 5.297 -3.101 1.00 0.00 N ATOM 1371 CA VAL A 95 9.974 4.158 -2.812 1.00 0.00 C ATOM 1372 C VAL A 95 8.652 4.265 -3.564 1.00 0.00 C ATOM 1373 O VAL A 95 7.839 5.147 -3.287 1.00 0.00 O ATOM 1374 CB VAL A 95 9.686 4.039 -1.303 1.00 0.00 C ATOM 1375 CG1 VAL A 95 9.028 2.705 -0.988 1.00 0.00 C ATOM 1376 CG2 VAL A 95 10.967 4.215 -0.502 1.00 0.00 C ATOM 0 H VAL A 95 10.814 6.033 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 95 10.506 3.266 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 95 8.995 4.832 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.832 2.640 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.088 2.625 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.691 1.893 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.746 4.128 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.683 3.445 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.391 5.198 -0.705 1.00 0.00 H new ATOM 1386 N ARG A 96 8.444 3.361 -4.516 1.00 0.00 N ATOM 1387 CA ARG A 96 7.221 3.355 -5.309 1.00 0.00 C ATOM 1388 C ARG A 96 6.347 2.156 -4.950 1.00 0.00 C ATOM 1389 O ARG A 96 6.794 1.009 -5.009 1.00 0.00 O ATOM 1390 CB ARG A 96 7.555 3.328 -6.801 1.00 0.00 C ATOM 1391 CG ARG A 96 6.334 3.200 -7.696 1.00 0.00 C ATOM 1392 CD ARG A 96 6.007 1.743 -7.988 1.00 0.00 C ATOM 1393 NE ARG A 96 6.677 1.263 -9.194 1.00 0.00 N ATOM 1394 CZ ARG A 96 6.505 0.044 -9.694 1.00 0.00 C ATOM 1395 NH1 ARG A 96 5.690 -0.813 -9.095 1.00 0.00 N ATOM 1396 NH2 ARG A 96 7.150 -0.319 -10.795 1.00 0.00 N ATOM 0 H ARG A 96 9.107 2.624 -4.757 1.00 0.00 H new ATOM 0 HA ARG A 96 6.668 4.267 -5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.092 4.240 -7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.229 2.494 -6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.479 3.677 -7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.511 3.729 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.304 1.128 -7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.929 1.629 -8.102 1.00 0.00 H new ATOM 0 HE ARG A 96 7.311 1.898 -9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.193 -0.537 -8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.560 -1.748 -9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.778 0.338 -11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.018 -1.255 -11.178 1.00 0.00 H new ATOM 1410 N LEU A 97 5.101 2.428 -4.579 1.00 0.00 N ATOM 1411 CA LEU A 97 4.165 1.373 -4.210 1.00 0.00 C ATOM 1412 C LEU A 97 2.814 1.582 -4.888 1.00 0.00 C ATOM 1413 O LEU A 97 2.565 2.627 -5.489 1.00 0.00 O ATOM 1414 CB LEU A 97 3.985 1.330 -2.692 1.00 0.00 C ATOM 1415 CG LEU A 97 5.204 1.730 -1.860 1.00 0.00 C ATOM 1416 CD1 LEU A 97 5.301 3.244 -1.748 1.00 0.00 C ATOM 1417 CD2 LEU A 97 5.140 1.095 -0.479 1.00 0.00 C ATOM 0 H LEU A 97 4.716 3.371 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 97 4.577 0.422 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.157 1.987 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.693 0.319 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 97 6.099 1.365 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.174 3.510 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.395 3.677 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.403 3.632 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.016 1.391 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.238 1.429 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.121 0.010 -0.578 1.00 0.00 H new ATOM 1429 N VAL A 98 1.945 0.581 -4.785 1.00 0.00 N ATOM 1430 CA VAL A 98 0.618 0.657 -5.385 1.00 0.00 C ATOM 1431 C VAL A 98 -0.471 0.509 -4.329 1.00 0.00 C ATOM 1432 O VAL A 98 -0.546 -0.506 -3.636 1.00 0.00 O ATOM 1433 CB VAL A 98 0.426 -0.429 -6.461 1.00 0.00 C ATOM 1434 CG1 VAL A 98 -0.913 -0.257 -7.160 1.00 0.00 C ATOM 1435 CG2 VAL A 98 1.570 -0.393 -7.463 1.00 0.00 C ATOM 0 H VAL A 98 2.136 -0.291 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 98 0.537 1.639 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 98 0.431 -1.404 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.031 -1.033 -7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.718 -0.337 -6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.952 0.723 -7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.419 -1.166 -8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.600 0.583 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.513 -0.570 -6.945 1.00 0.00 H new ATOM 1445 N VAL A 99 -1.317 1.528 -4.212 1.00 0.00 N ATOM 1446 CA VAL A 99 -2.404 1.511 -3.241 1.00 0.00 C ATOM 1447 C VAL A 99 -3.757 1.392 -3.934 1.00 0.00 C ATOM 1448 O VAL A 99 -3.876 1.640 -5.134 1.00 0.00 O ATOM 1449 CB VAL A 99 -2.398 2.780 -2.369 1.00 0.00 C ATOM 1450 CG1 VAL A 99 -1.108 2.871 -1.568 1.00 0.00 C ATOM 1451 CG2 VAL A 99 -2.588 4.020 -3.230 1.00 0.00 C ATOM 0 H VAL A 99 -1.270 2.375 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.246 0.641 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.231 2.721 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.122 3.774 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.019 1.998 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.258 2.907 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.581 4.907 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.778 4.086 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.541 3.956 -3.755 1.00 0.00 H new ATOM 1461 N TYR A 100 -4.775 1.010 -3.171 1.00 0.00 N ATOM 1462 CA TYR A 100 -6.120 0.855 -3.711 1.00 0.00 C ATOM 1463 C TYR A 100 -7.166 1.364 -2.724 1.00 0.00 C ATOM 1464 O TYR A 100 -7.374 0.774 -1.664 1.00 0.00 O ATOM 1465 CB TYR A 100 -6.392 -0.612 -4.047 1.00 0.00 C ATOM 1466 CG TYR A 100 -7.794 -0.869 -4.551 1.00 0.00 C ATOM 1467 CD1 TYR A 100 -8.375 -0.036 -5.500 1.00 0.00 C ATOM 1468 CD2 TYR A 100 -8.538 -1.943 -4.078 1.00 0.00 C ATOM 1469 CE1 TYR A 100 -9.657 -0.266 -5.962 1.00 0.00 C ATOM 1470 CE2 TYR A 100 -9.819 -2.181 -4.536 1.00 0.00 C ATOM 1471 CZ TYR A 100 -10.374 -1.340 -5.478 1.00 0.00 C ATOM 1472 OH TYR A 100 -11.651 -1.573 -5.935 1.00 0.00 O ATOM 0 H TYR A 100 -4.694 0.802 -2.176 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.188 1.448 -4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.678 -0.941 -4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -6.218 -1.218 -3.158 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -7.815 0.805 -5.883 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.107 -2.603 -3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.095 0.392 -6.698 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.383 -3.021 -4.159 1.00 0.00 H new ATOM 0 HH TYR A 100 -12.288 -1.456 -5.200 1.00 0.00 H new ATOM 1482 N ARG A 101 -7.822 2.463 -3.082 1.00 0.00 N ATOM 1483 CA ARG A 101 -8.846 3.053 -2.228 1.00 0.00 C ATOM 1484 C ARG A 101 -10.216 2.987 -2.898 1.00 0.00 C ATOM 1485 O ARG A 101 -10.549 3.824 -3.737 1.00 0.00 O ATOM 1486 CB ARG A 101 -8.495 4.506 -1.904 1.00 0.00 C ATOM 1487 CG ARG A 101 -9.074 4.993 -0.586 1.00 0.00 C ATOM 1488 CD ARG A 101 -8.370 6.250 -0.098 1.00 0.00 C ATOM 1489 NE ARG A 101 -6.980 5.991 0.269 1.00 0.00 N ATOM 1490 CZ ARG A 101 -6.035 6.925 0.273 1.00 0.00 C ATOM 1491 NH1 ARG A 101 -6.329 8.172 -0.067 1.00 0.00 N ATOM 1492 NH2 ARG A 101 -4.793 6.612 0.619 1.00 0.00 N ATOM 0 H ARG A 101 -7.663 2.963 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.885 2.481 -1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -7.410 4.611 -1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.856 5.146 -2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.138 5.195 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.982 4.208 0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.403 7.010 -0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -8.903 6.653 0.763 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.721 5.042 0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.283 8.417 -0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.601 8.887 -0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.563 5.654 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.068 7.330 0.622 1.00 0.00 H new ATOM 1506 N ASP A 102 -11.005 1.987 -2.521 1.00 0.00 N ATOM 1507 CA ASP A 102 -12.339 1.812 -3.084 1.00 0.00 C ATOM 1508 C ASP A 102 -13.234 2.997 -2.739 1.00 0.00 C ATOM 1509 O ASP A 102 -12.975 3.724 -1.781 1.00 0.00 O ATOM 1510 CB ASP A 102 -12.966 0.515 -2.569 1.00 0.00 C ATOM 1511 CG ASP A 102 -14.035 -0.021 -3.502 1.00 0.00 C ATOM 1512 OD1 ASP A 102 -14.793 0.795 -4.067 1.00 0.00 O ATOM 1513 OD2 ASP A 102 -14.112 -1.256 -3.667 1.00 0.00 O ATOM 0 H ASP A 102 -10.744 1.285 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 102 -12.245 1.755 -4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -12.187 -0.237 -2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.401 0.691 -1.585 1.00 0.00 H new ATOM 1518 N GLU A 103 -14.288 3.186 -3.527 1.00 0.00 N ATOM 1519 CA GLU A 103 -15.220 4.285 -3.306 1.00 0.00 C ATOM 1520 C GLU A 103 -16.629 3.759 -3.044 1.00 0.00 C ATOM 1521 O GLU A 103 -17.614 4.344 -3.492 1.00 0.00 O ATOM 1522 CB GLU A 103 -15.231 5.225 -4.512 1.00 0.00 C ATOM 1523 CG GLU A 103 -15.409 4.509 -5.841 1.00 0.00 C ATOM 1524 CD GLU A 103 -16.858 4.172 -6.132 1.00 0.00 C ATOM 1525 OE1 GLU A 103 -17.732 5.023 -5.863 1.00 0.00 O ATOM 1526 OE2 GLU A 103 -17.119 3.057 -6.630 1.00 0.00 O ATOM 0 H GLU A 103 -14.517 2.592 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.888 4.838 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -16.035 5.950 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.297 5.786 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -15.018 5.136 -6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.820 3.592 -5.837 1.00 0.00 H new ATOM 1533 N ALA A 104 -16.714 2.650 -2.316 1.00 0.00 N ATOM 1534 CA ALA A 104 -18.001 2.046 -1.994 1.00 0.00 C ATOM 1535 C ALA A 104 -18.275 2.104 -0.495 1.00 0.00 C ATOM 1536 O ALA A 104 -19.426 2.050 -0.061 1.00 0.00 O ATOM 1537 CB ALA A 104 -18.045 0.606 -2.484 1.00 0.00 C ATOM 0 H ALA A 104 -15.908 2.152 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 104 -18.779 2.616 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -19.012 0.167 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -17.902 0.585 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -17.253 0.033 -2.002 1.00 0.00 H new ATOM 1543 N HIS A 105 -17.209 2.215 0.293 1.00 0.00 N ATOM 1544 CA HIS A 105 -17.335 2.281 1.744 1.00 0.00 C ATOM 1545 C HIS A 105 -16.471 3.402 2.314 1.00 0.00 C ATOM 1546 O HIS A 105 -16.170 3.421 3.508 1.00 0.00 O ATOM 1547 CB HIS A 105 -16.938 0.945 2.373 1.00 0.00 C ATOM 1548 CG HIS A 105 -18.050 -0.058 2.401 1.00 0.00 C ATOM 1549 ND1 HIS A 105 -18.737 -0.388 3.551 1.00 0.00 N ATOM 1550 CD2 HIS A 105 -18.595 -0.804 1.412 1.00 0.00 C ATOM 1551 CE1 HIS A 105 -19.655 -1.295 3.267 1.00 0.00 C ATOM 1552 NE2 HIS A 105 -19.590 -1.564 1.976 1.00 0.00 N ATOM 0 H HIS A 105 -16.249 2.261 -0.050 1.00 0.00 H new ATOM 0 HA HIS A 105 -18.377 2.492 1.984 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -16.097 0.528 1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -16.593 1.121 3.392 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -18.302 -0.802 0.373 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -20.342 -1.741 3.971 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -20.183 -2.228 1.478 1.00 0.00 H new ATOM 1561 N TYR A 106 -16.075 4.333 1.454 1.00 0.00 N ATOM 1562 CA TYR A 106 -15.243 5.455 1.871 1.00 0.00 C ATOM 1563 C TYR A 106 -15.693 5.992 3.226 1.00 0.00 C ATOM 1564 O TYR A 106 -14.930 5.985 4.193 1.00 0.00 O ATOM 1565 CB TYR A 106 -15.294 6.571 0.826 1.00 0.00 C ATOM 1566 CG TYR A 106 -14.238 7.634 1.024 1.00 0.00 C ATOM 1567 CD1 TYR A 106 -12.887 7.310 1.019 1.00 0.00 C ATOM 1568 CD2 TYR A 106 -14.591 8.965 1.215 1.00 0.00 C ATOM 1569 CE1 TYR A 106 -11.919 8.279 1.201 1.00 0.00 C ATOM 1570 CE2 TYR A 106 -13.630 9.940 1.396 1.00 0.00 C ATOM 1571 CZ TYR A 106 -12.296 9.592 1.389 1.00 0.00 C ATOM 1572 OH TYR A 106 -11.334 10.560 1.569 1.00 0.00 O ATOM 0 H TYR A 106 -16.317 4.333 0.463 1.00 0.00 H new ATOM 0 HA TYR A 106 -14.217 5.099 1.963 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -15.177 6.134 -0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -16.278 7.039 0.854 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -12.588 6.283 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -15.635 9.241 1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.873 8.010 1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.922 10.969 1.542 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.765 11.432 1.687 1.00 0.00 H new ATOM 1582 N ARG A 107 -16.936 6.456 3.289 1.00 0.00 N ATOM 1583 CA ARG A 107 -17.489 6.997 4.525 1.00 0.00 C ATOM 1584 C ARG A 107 -18.273 5.930 5.283 1.00 0.00 C ATOM 1585 O ARG A 107 -19.285 5.426 4.796 1.00 0.00 O ATOM 1586 CB ARG A 107 -18.394 8.193 4.224 1.00 0.00 C ATOM 1587 CG ARG A 107 -17.651 9.517 4.159 1.00 0.00 C ATOM 1588 CD ARG A 107 -17.407 10.087 5.548 1.00 0.00 C ATOM 1589 NE ARG A 107 -18.582 10.781 6.069 1.00 0.00 N ATOM 1590 CZ ARG A 107 -18.608 11.402 7.243 1.00 0.00 C ATOM 1591 NH1 ARG A 107 -17.530 11.415 8.014 1.00 0.00 N ATOM 1592 NH2 ARG A 107 -19.715 12.011 7.648 1.00 0.00 N ATOM 0 H ARG A 107 -17.580 6.468 2.498 1.00 0.00 H new ATOM 0 HA ARG A 107 -16.659 7.327 5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.902 8.024 3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -19.166 8.256 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -16.698 9.376 3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -18.226 10.230 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.131 9.281 6.228 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.564 10.777 5.514 1.00 0.00 H new ATOM 0 HE ARG A 107 -19.429 10.789 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.677 10.947 7.706 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.553 11.893 8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.547 12.003 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -19.734 12.488 8.550 1.00 0.00 H new ATOM 1606 N ASP A 108 -17.799 5.591 6.477 1.00 0.00 N ATOM 1607 CA ASP A 108 -18.456 4.584 7.303 1.00 0.00 C ATOM 1608 C ASP A 108 -19.829 5.068 7.760 1.00 0.00 C ATOM 1609 O ASP A 108 -20.265 6.160 7.396 1.00 0.00 O ATOM 1610 CB ASP A 108 -17.590 4.246 8.518 1.00 0.00 C ATOM 1611 CG ASP A 108 -16.399 3.381 8.157 1.00 0.00 C ATOM 1612 OD1 ASP A 108 -15.449 3.906 7.539 1.00 0.00 O ATOM 1613 OD2 ASP A 108 -16.416 2.177 8.491 1.00 0.00 O ATOM 0 H ASP A 108 -16.962 5.999 6.895 1.00 0.00 H new ATOM 0 HA ASP A 108 -18.589 3.685 6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -17.239 5.169 8.978 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -18.198 3.730 9.262 1.00 0.00 H new ATOM 1618 N GLU A 109 -20.504 4.247 8.558 1.00 0.00 N ATOM 1619 CA GLU A 109 -21.829 4.591 9.062 1.00 0.00 C ATOM 1620 C GLU A 109 -21.854 4.562 10.587 1.00 0.00 C ATOM 1621 O GLU A 109 -21.778 3.497 11.199 1.00 0.00 O ATOM 1622 CB GLU A 109 -22.877 3.627 8.505 1.00 0.00 C ATOM 1623 CG GLU A 109 -22.634 2.176 8.886 1.00 0.00 C ATOM 1624 CD GLU A 109 -23.254 1.202 7.903 1.00 0.00 C ATOM 1625 OE1 GLU A 109 -24.434 0.840 8.093 1.00 0.00 O ATOM 1626 OE2 GLU A 109 -22.561 0.803 6.944 1.00 0.00 O ATOM 0 H GLU A 109 -20.156 3.340 8.869 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.065 5.602 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.862 3.928 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -22.894 3.710 7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -21.561 1.994 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -23.042 1.992 9.880 1.00 0.00 H new ATOM 1633 N GLU A 110 -21.962 5.740 11.194 1.00 0.00 N ATOM 1634 CA GLU A 110 -21.996 5.849 12.648 1.00 0.00 C ATOM 1635 C GLU A 110 -23.226 5.148 13.217 1.00 0.00 C ATOM 1636 O GLU A 110 -24.296 5.157 12.609 1.00 0.00 O ATOM 1637 CB GLU A 110 -21.992 7.320 13.071 1.00 0.00 C ATOM 1638 CG GLU A 110 -21.637 7.531 14.533 1.00 0.00 C ATOM 1639 CD GLU A 110 -21.961 8.931 15.016 1.00 0.00 C ATOM 1640 OE1 GLU A 110 -23.152 9.307 14.988 1.00 0.00 O ATOM 1641 OE2 GLU A 110 -21.025 9.652 15.421 1.00 0.00 O ATOM 0 H GLU A 110 -22.027 6.631 10.702 1.00 0.00 H new ATOM 0 HA GLU A 110 -21.105 5.362 13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -21.281 7.866 12.451 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -22.976 7.747 12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -22.177 6.806 15.142 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -20.574 7.338 14.676 1.00 0.00 H new ATOM 1648 N SER A 111 -23.064 4.541 14.389 1.00 0.00 N ATOM 1649 CA SER A 111 -24.159 3.831 15.039 1.00 0.00 C ATOM 1650 C SER A 111 -25.472 4.592 14.878 1.00 0.00 C ATOM 1651 O SER A 111 -25.621 5.707 15.375 1.00 0.00 O ATOM 1652 CB SER A 111 -23.853 3.628 16.524 1.00 0.00 C ATOM 1653 OG SER A 111 -24.957 3.049 17.198 1.00 0.00 O ATOM 0 H SER A 111 -22.185 4.527 14.907 1.00 0.00 H new ATOM 0 HA SER A 111 -24.263 2.857 14.560 1.00 0.00 H new ATOM 0 HB2 SER A 111 -22.979 2.986 16.634 1.00 0.00 H new ATOM 0 HB3 SER A 111 -23.605 4.586 16.982 1.00 0.00 H new ATOM 0 HG SER A 111 -24.735 2.928 18.145 1.00 0.00 H new ATOM 1659 N GLY A 112 -26.422 3.979 14.178 1.00 0.00 N ATOM 1660 CA GLY A 112 -27.710 4.612 13.963 1.00 0.00 C ATOM 1661 C GLY A 112 -28.231 4.403 12.555 1.00 0.00 C ATOM 1662 O GLY A 112 -28.792 3.357 12.227 1.00 0.00 O ATOM 0 H GLY A 112 -26.322 3.056 13.756 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -28.431 4.213 14.677 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -27.624 5.681 14.160 1.00 0.00 H new ATOM 1666 N PRO A 113 -28.047 5.415 11.695 1.00 0.00 N ATOM 1667 CA PRO A 113 -28.496 5.361 10.301 1.00 0.00 C ATOM 1668 C PRO A 113 -27.683 4.377 9.467 1.00 0.00 C ATOM 1669 O PRO A 113 -26.473 4.246 9.649 1.00 0.00 O ATOM 1670 CB PRO A 113 -28.278 6.792 9.802 1.00 0.00 C ATOM 1671 CG PRO A 113 -27.197 7.336 10.672 1.00 0.00 C ATOM 1672 CD PRO A 113 -27.385 6.691 12.017 1.00 0.00 C ATOM 0 HA PRO A 113 -29.528 5.018 10.219 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -27.985 6.805 8.752 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -29.189 7.384 9.886 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -26.213 7.106 10.263 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -27.265 8.421 10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -26.433 6.533 12.523 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -27.998 7.307 12.676 1.00 0.00 H new ATOM 1680 N SER A 114 -28.356 3.687 8.552 1.00 0.00 N ATOM 1681 CA SER A 114 -27.696 2.711 7.692 1.00 0.00 C ATOM 1682 C SER A 114 -27.159 3.376 6.429 1.00 0.00 C ATOM 1683 O SER A 114 -27.681 4.397 5.981 1.00 0.00 O ATOM 1684 CB SER A 114 -28.668 1.590 7.318 1.00 0.00 C ATOM 1685 OG SER A 114 -29.097 0.882 8.468 1.00 0.00 O ATOM 0 H SER A 114 -29.358 3.785 8.387 1.00 0.00 H new ATOM 0 HA SER A 114 -26.857 2.286 8.243 1.00 0.00 H new ATOM 0 HB2 SER A 114 -29.532 2.010 6.803 1.00 0.00 H new ATOM 0 HB3 SER A 114 -28.185 0.903 6.623 1.00 0.00 H new ATOM 0 HG SER A 114 -29.718 0.172 8.202 1.00 0.00 H new ATOM 1691 N SER A 115 -26.111 2.789 5.859 1.00 0.00 N ATOM 1692 CA SER A 115 -25.499 3.326 4.649 1.00 0.00 C ATOM 1693 C SER A 115 -25.696 2.375 3.472 1.00 0.00 C ATOM 1694 O SER A 115 -26.283 2.741 2.455 1.00 0.00 O ATOM 1695 CB SER A 115 -24.006 3.574 4.874 1.00 0.00 C ATOM 1696 OG SER A 115 -23.404 4.142 3.724 1.00 0.00 O ATOM 0 H SER A 115 -25.668 1.942 6.216 1.00 0.00 H new ATOM 0 HA SER A 115 -25.986 4.272 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 115 -23.869 4.240 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 115 -23.511 2.635 5.121 1.00 0.00 H new ATOM 0 HG SER A 115 -22.451 4.292 3.894 1.00 0.00 H new ATOM 1702 N GLY A 116 -25.201 1.150 3.620 1.00 0.00 N ATOM 1703 CA GLY A 116 -25.332 0.164 2.563 1.00 0.00 C ATOM 1704 C GLY A 116 -24.206 -0.851 2.574 1.00 0.00 C ATOM 1705 O GLY A 116 -23.220 -0.701 1.853 1.00 0.00 O ATOM 0 H GLY A 116 -24.712 0.823 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -26.285 -0.354 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -25.351 0.671 1.598 1.00 0.00 H new TER 1709 GLY A 116