USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.0622 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 5 SER OG : rot 52:sc= 1.26 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 23:sc= 0.183 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.0298 K(o=0.03,f=-4.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 99:sc= 0.636 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.243 K(o=-0.24,f=-0.87) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 0.292 (180deg=0.228) USER MOD Single : A 46 LYS NZ :NH3+ -112:sc= -1.04 (180deg=-1.84!) USER MOD Single : A 49 CYS SG : rot 130:sc= -0.423 USER MOD Single : A 50 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.902 USER MOD Single : A 63 LYS NZ :NH3+ -108:sc= -1.55 (180deg=-3.21) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.325 K(o=-0.32,f=-2.7!) USER MOD Single : A 70 CYS SG : rot -19:sc=-0.00562 USER MOD Single : A 71 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-2.2!) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.055) USER MOD Single : A 73 GLN : amide:sc= -0.684 K(o=-0.68,f=-4.7!) USER MOD Single : A 80 GLN : amide:sc= -0.66 K(o=-0.66,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 18:sc= -0.434 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.357 78.514 -43.563 1.00 0.00 N ATOM 2 CA GLY A 1 -8.357 77.072 -43.393 1.00 0.00 C ATOM 3 C GLY A 1 -7.295 76.604 -42.417 1.00 0.00 C ATOM 4 O GLY A 1 -7.504 76.630 -41.204 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.100 78.784 -44.239 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.539 78.972 -42.647 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.432 78.821 -43.925 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.337 76.751 -43.041 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.194 76.595 -44.359 1.00 0.00 H new ATOM 8 N SER A 2 -6.155 76.174 -42.946 1.00 0.00 N ATOM 9 CA SER A 2 -5.059 75.692 -42.114 1.00 0.00 C ATOM 10 C SER A 2 -5.518 74.542 -41.223 1.00 0.00 C ATOM 11 O SER A 2 -5.224 74.511 -40.028 1.00 0.00 O ATOM 12 CB SER A 2 -4.507 76.830 -41.252 1.00 0.00 C ATOM 13 OG SER A 2 -3.230 76.503 -40.733 1.00 0.00 O ATOM 0 H SER A 2 -5.966 76.149 -43.948 1.00 0.00 H new ATOM 0 HA SER A 2 -4.270 75.327 -42.771 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.439 77.741 -41.847 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.195 77.036 -40.432 1.00 0.00 H new ATOM 0 HG SER A 2 -3.288 75.669 -40.222 1.00 0.00 H new ATOM 19 N SER A 3 -6.242 73.596 -41.815 1.00 0.00 N ATOM 20 CA SER A 3 -6.746 72.445 -41.076 1.00 0.00 C ATOM 21 C SER A 3 -5.908 71.203 -41.366 1.00 0.00 C ATOM 22 O SER A 3 -5.011 71.229 -42.208 1.00 0.00 O ATOM 23 CB SER A 3 -8.209 72.182 -41.435 1.00 0.00 C ATOM 24 OG SER A 3 -8.852 71.416 -40.431 1.00 0.00 O ATOM 0 H SER A 3 -6.492 73.605 -42.804 1.00 0.00 H new ATOM 0 HA SER A 3 -6.675 72.669 -40.012 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.731 73.130 -41.563 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.264 71.656 -42.388 1.00 0.00 H new ATOM 0 HG SER A 3 -9.786 71.263 -40.684 1.00 0.00 H new ATOM 30 N GLY A 4 -6.208 70.116 -40.662 1.00 0.00 N ATOM 31 CA GLY A 4 -5.474 68.880 -40.858 1.00 0.00 C ATOM 32 C GLY A 4 -6.339 67.653 -40.648 1.00 0.00 C ATOM 33 O GLY A 4 -7.567 67.736 -40.690 1.00 0.00 O ATOM 0 H GLY A 4 -6.946 70.069 -39.960 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.062 68.862 -41.867 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.630 68.849 -40.168 1.00 0.00 H new ATOM 37 N SER A 5 -5.698 66.510 -40.424 1.00 0.00 N ATOM 38 CA SER A 5 -6.418 65.259 -40.212 1.00 0.00 C ATOM 39 C SER A 5 -5.470 64.162 -39.737 1.00 0.00 C ATOM 40 O SER A 5 -4.298 64.134 -40.111 1.00 0.00 O ATOM 41 CB SER A 5 -7.115 64.823 -41.502 1.00 0.00 C ATOM 42 OG SER A 5 -8.417 65.375 -41.590 1.00 0.00 O ATOM 0 H SER A 5 -4.682 66.424 -40.385 1.00 0.00 H new ATOM 0 HA SER A 5 -7.169 65.426 -39.440 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.524 65.138 -42.362 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.175 63.735 -41.537 1.00 0.00 H new ATOM 0 HG SER A 5 -8.372 66.344 -41.450 1.00 0.00 H new ATOM 48 N SER A 6 -5.988 63.259 -38.910 1.00 0.00 N ATOM 49 CA SER A 6 -5.189 62.161 -38.380 1.00 0.00 C ATOM 50 C SER A 6 -6.071 61.144 -37.663 1.00 0.00 C ATOM 51 O SER A 6 -7.253 61.389 -37.425 1.00 0.00 O ATOM 52 CB SER A 6 -4.124 62.695 -37.420 1.00 0.00 C ATOM 53 OG SER A 6 -4.689 63.025 -36.163 1.00 0.00 O ATOM 0 H SER A 6 -6.957 63.267 -38.593 1.00 0.00 H new ATOM 0 HA SER A 6 -4.698 61.664 -39.217 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.343 61.947 -37.286 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.650 63.576 -37.852 1.00 0.00 H new ATOM 0 HG SER A 6 -3.988 63.362 -35.567 1.00 0.00 H new ATOM 59 N GLY A 7 -5.487 59.999 -37.321 1.00 0.00 N ATOM 60 CA GLY A 7 -6.233 58.961 -36.635 1.00 0.00 C ATOM 61 C GLY A 7 -5.610 57.589 -36.806 1.00 0.00 C ATOM 62 O GLY A 7 -5.763 56.956 -37.850 1.00 0.00 O ATOM 0 H GLY A 7 -4.510 59.772 -37.507 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.290 59.201 -35.573 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.255 58.942 -37.013 1.00 0.00 H new ATOM 66 N ILE A 8 -4.903 57.131 -35.778 1.00 0.00 N ATOM 67 CA ILE A 8 -4.254 55.827 -35.819 1.00 0.00 C ATOM 68 C ILE A 8 -4.782 54.914 -34.717 1.00 0.00 C ATOM 69 O ILE A 8 -5.275 55.384 -33.692 1.00 0.00 O ATOM 70 CB ILE A 8 -2.726 55.954 -35.677 1.00 0.00 C ATOM 71 CG1 ILE A 8 -2.371 57.170 -34.819 1.00 0.00 C ATOM 72 CG2 ILE A 8 -2.073 56.057 -37.047 1.00 0.00 C ATOM 73 CD1 ILE A 8 -0.917 57.214 -34.405 1.00 0.00 C ATOM 0 H ILE A 8 -4.765 57.644 -34.907 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.485 55.390 -36.791 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.347 55.060 -35.182 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.610 58.078 -35.373 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.995 57.168 -33.925 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.993 56.146 -36.930 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.302 55.163 -37.627 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.455 56.935 -37.567 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.738 58.102 -33.799 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.677 56.324 -33.823 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.287 57.247 -35.294 1.00 0.00 H new ATOM 85 N ASP A 9 -4.674 53.608 -34.936 1.00 0.00 N ATOM 86 CA ASP A 9 -5.137 52.629 -33.960 1.00 0.00 C ATOM 87 C ASP A 9 -4.534 51.256 -34.239 1.00 0.00 C ATOM 88 O ASP A 9 -4.932 50.572 -35.181 1.00 0.00 O ATOM 89 CB ASP A 9 -6.664 52.542 -33.979 1.00 0.00 C ATOM 90 CG ASP A 9 -7.322 53.795 -33.435 1.00 0.00 C ATOM 91 OD1 ASP A 9 -7.083 54.128 -32.255 1.00 0.00 O ATOM 92 OD2 ASP A 9 -8.076 54.444 -34.191 1.00 0.00 O ATOM 0 H ASP A 9 -4.270 53.203 -35.781 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.811 52.955 -32.972 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.003 52.372 -35.001 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.983 51.682 -33.390 1.00 0.00 H new ATOM 97 N SER A 10 -3.570 50.860 -33.413 1.00 0.00 N ATOM 98 CA SER A 10 -2.908 49.571 -33.574 1.00 0.00 C ATOM 99 C SER A 10 -2.120 49.205 -32.320 1.00 0.00 C ATOM 100 O SER A 10 -1.563 50.072 -31.648 1.00 0.00 O ATOM 101 CB SER A 10 -1.975 49.600 -34.786 1.00 0.00 C ATOM 102 OG SER A 10 -0.764 50.271 -34.481 1.00 0.00 O ATOM 0 H SER A 10 -3.231 51.413 -32.626 1.00 0.00 H new ATOM 0 HA SER A 10 -3.676 48.814 -33.734 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.759 48.581 -35.107 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.471 50.098 -35.619 1.00 0.00 H new ATOM 0 HG SER A 10 -0.184 50.275 -35.271 1.00 0.00 H new ATOM 108 N GLY A 11 -2.078 47.913 -32.010 1.00 0.00 N ATOM 109 CA GLY A 11 -1.356 47.454 -30.838 1.00 0.00 C ATOM 110 C GLY A 11 -2.007 46.247 -30.192 1.00 0.00 C ATOM 111 O GLY A 11 -3.094 46.351 -29.620 1.00 0.00 O ATOM 0 H GLY A 11 -2.531 47.176 -32.550 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.333 47.204 -31.120 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.297 48.264 -30.111 1.00 0.00 H new ATOM 115 N LEU A 12 -1.345 45.099 -30.283 1.00 0.00 N ATOM 116 CA LEU A 12 -1.867 43.867 -29.703 1.00 0.00 C ATOM 117 C LEU A 12 -0.866 43.257 -28.727 1.00 0.00 C ATOM 118 O LEU A 12 0.303 43.066 -29.060 1.00 0.00 O ATOM 119 CB LEU A 12 -2.198 42.861 -30.807 1.00 0.00 C ATOM 120 CG LEU A 12 -3.238 43.309 -31.834 1.00 0.00 C ATOM 121 CD1 LEU A 12 -2.566 44.017 -33.000 1.00 0.00 C ATOM 122 CD2 LEU A 12 -4.049 42.120 -32.326 1.00 0.00 C ATOM 0 H LEU A 12 -0.446 44.996 -30.753 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.778 44.110 -29.156 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.277 42.616 -31.336 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.551 41.942 -30.339 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.917 44.012 -31.351 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.322 44.329 -33.721 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.031 44.893 -32.634 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.863 43.337 -33.482 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.784 42.458 -33.056 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.383 41.393 -32.791 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.562 41.656 -31.484 1.00 0.00 H new ATOM 134 N SER A 13 -1.334 42.952 -27.521 1.00 0.00 N ATOM 135 CA SER A 13 -0.479 42.365 -26.496 1.00 0.00 C ATOM 136 C SER A 13 -0.870 40.915 -26.227 1.00 0.00 C ATOM 137 O SER A 13 -1.575 40.602 -25.267 1.00 0.00 O ATOM 138 CB SER A 13 -0.567 43.177 -25.202 1.00 0.00 C ATOM 139 OG SER A 13 0.372 44.238 -25.201 1.00 0.00 O ATOM 0 H SER A 13 -2.300 43.102 -27.230 1.00 0.00 H new ATOM 0 HA SER A 13 0.548 42.385 -26.860 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.574 43.578 -25.089 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.385 42.526 -24.347 1.00 0.00 H new ATOM 0 HG SER A 13 0.295 44.743 -24.364 1.00 0.00 H new ATOM 145 N PRO A 14 -0.403 40.006 -27.096 1.00 0.00 N ATOM 146 CA PRO A 14 -0.690 38.573 -26.974 1.00 0.00 C ATOM 147 C PRO A 14 0.017 37.940 -25.781 1.00 0.00 C ATOM 148 O PRO A 14 1.181 37.550 -25.872 1.00 0.00 O ATOM 149 CB PRO A 14 -0.152 37.992 -28.284 1.00 0.00 C ATOM 150 CG PRO A 14 0.902 38.950 -28.720 1.00 0.00 C ATOM 151 CD PRO A 14 0.443 40.307 -28.263 1.00 0.00 C ATOM 0 HA PRO A 14 -1.750 38.382 -26.810 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.258 36.993 -28.135 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.941 37.904 -29.031 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.866 38.696 -28.280 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.029 38.925 -29.802 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.284 40.947 -27.995 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.116 40.825 -29.042 1.00 0.00 H new ATOM 159 N SER A 15 -0.694 37.841 -24.662 1.00 0.00 N ATOM 160 CA SER A 15 -0.134 37.257 -23.449 1.00 0.00 C ATOM 161 C SER A 15 -1.218 36.569 -22.626 1.00 0.00 C ATOM 162 O SER A 15 -2.365 37.016 -22.591 1.00 0.00 O ATOM 163 CB SER A 15 0.553 38.336 -22.609 1.00 0.00 C ATOM 164 OG SER A 15 1.877 38.566 -23.058 1.00 0.00 O ATOM 0 H SER A 15 -1.659 38.158 -24.571 1.00 0.00 H new ATOM 0 HA SER A 15 0.603 36.510 -23.742 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.019 39.262 -22.663 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.568 38.032 -21.562 1.00 0.00 H new ATOM 0 HG SER A 15 1.961 38.278 -23.991 1.00 0.00 H new ATOM 170 N VAL A 16 -0.847 35.478 -21.963 1.00 0.00 N ATOM 171 CA VAL A 16 -1.787 34.728 -21.138 1.00 0.00 C ATOM 172 C VAL A 16 -1.064 33.688 -20.290 1.00 0.00 C ATOM 173 O VAL A 16 -0.136 33.026 -20.756 1.00 0.00 O ATOM 174 CB VAL A 16 -2.850 34.022 -22.000 1.00 0.00 C ATOM 175 CG1 VAL A 16 -2.199 33.312 -23.177 1.00 0.00 C ATOM 176 CG2 VAL A 16 -3.656 33.045 -21.157 1.00 0.00 C ATOM 0 H VAL A 16 0.098 35.094 -21.981 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.279 35.448 -20.484 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.532 34.776 -22.394 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.966 32.819 -23.774 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.671 34.039 -23.794 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.493 32.568 -22.808 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.403 32.555 -21.782 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.989 32.295 -20.732 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.155 33.585 -20.352 1.00 0.00 H new ATOM 186 N LEU A 17 -1.495 33.548 -19.041 1.00 0.00 N ATOM 187 CA LEU A 17 -0.890 32.588 -18.125 1.00 0.00 C ATOM 188 C LEU A 17 -1.916 32.070 -17.123 1.00 0.00 C ATOM 189 O LEU A 17 -3.008 32.622 -16.997 1.00 0.00 O ATOM 190 CB LEU A 17 0.285 33.229 -17.385 1.00 0.00 C ATOM 191 CG LEU A 17 -0.059 34.412 -16.478 1.00 0.00 C ATOM 192 CD1 LEU A 17 -0.606 33.923 -15.146 1.00 0.00 C ATOM 193 CD2 LEU A 17 1.164 35.292 -16.263 1.00 0.00 C ATOM 0 H LEU A 17 -2.262 34.088 -18.639 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.525 31.745 -18.711 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.770 32.462 -16.781 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.015 33.562 -18.123 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.830 35.008 -16.967 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.845 34.779 -14.515 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.508 33.335 -15.317 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.142 33.304 -14.651 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.901 36.129 -15.616 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.956 34.707 -15.796 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.512 35.672 -17.223 1.00 0.00 H new ATOM 205 N MET A 18 -1.555 31.007 -16.410 1.00 0.00 N ATOM 206 CA MET A 18 -2.444 30.417 -15.416 1.00 0.00 C ATOM 207 C MET A 18 -1.704 29.387 -14.568 1.00 0.00 C ATOM 208 O MET A 18 -0.991 28.533 -15.094 1.00 0.00 O ATOM 209 CB MET A 18 -3.646 29.762 -16.099 1.00 0.00 C ATOM 210 CG MET A 18 -4.699 29.259 -15.126 1.00 0.00 C ATOM 211 SD MET A 18 -5.512 30.596 -14.229 1.00 0.00 S ATOM 212 CE MET A 18 -7.051 30.725 -15.137 1.00 0.00 C ATOM 0 H MET A 18 -0.654 30.538 -16.502 1.00 0.00 H new ATOM 0 HA MET A 18 -2.797 31.215 -14.762 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.104 30.482 -16.777 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.297 28.928 -16.707 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.448 28.685 -15.672 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.234 28.579 -14.413 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.666 31.513 -14.701 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.840 30.965 -16.179 1.00 0.00 H new ATOM 0 HE3 MET A 18 -7.585 29.776 -15.084 1.00 0.00 H new ATOM 222 N ALA A 19 -1.877 29.475 -13.253 1.00 0.00 N ATOM 223 CA ALA A 19 -1.227 28.550 -12.334 1.00 0.00 C ATOM 224 C ALA A 19 -2.140 27.376 -11.999 1.00 0.00 C ATOM 225 O ALA A 19 -3.293 27.332 -12.428 1.00 0.00 O ATOM 226 CB ALA A 19 -0.809 29.275 -11.063 1.00 0.00 C ATOM 0 H ALA A 19 -2.462 30.178 -12.801 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.337 28.156 -12.824 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.325 28.572 -10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.113 30.076 -11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.689 29.697 -10.579 1.00 0.00 H new ATOM 232 N SER A 20 -1.617 26.425 -11.231 1.00 0.00 N ATOM 233 CA SER A 20 -2.384 25.248 -10.842 1.00 0.00 C ATOM 234 C SER A 20 -1.940 24.736 -9.475 1.00 0.00 C ATOM 235 O SER A 20 -0.747 24.595 -9.212 1.00 0.00 O ATOM 236 CB SER A 20 -2.227 24.142 -11.889 1.00 0.00 C ATOM 237 OG SER A 20 -3.087 23.051 -11.610 1.00 0.00 O ATOM 0 H SER A 20 -0.665 26.447 -10.866 1.00 0.00 H new ATOM 0 HA SER A 20 -3.434 25.534 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.449 24.540 -12.879 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.193 23.799 -11.908 1.00 0.00 H new ATOM 0 HG SER A 20 -2.969 22.359 -12.294 1.00 0.00 H new ATOM 243 N ASN A 21 -2.910 24.461 -8.610 1.00 0.00 N ATOM 244 CA ASN A 21 -2.620 23.966 -7.269 1.00 0.00 C ATOM 245 C ASN A 21 -3.374 22.668 -6.993 1.00 0.00 C ATOM 246 O ASN A 21 -4.596 22.608 -7.125 1.00 0.00 O ATOM 247 CB ASN A 21 -2.993 25.017 -6.222 1.00 0.00 C ATOM 248 CG ASN A 21 -2.213 24.852 -4.932 1.00 0.00 C ATOM 249 OD1 ASN A 21 -2.621 24.111 -4.038 1.00 0.00 O ATOM 250 ND2 ASN A 21 -1.084 25.543 -4.831 1.00 0.00 N ATOM 0 H ASN A 21 -3.903 24.572 -8.813 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.550 23.765 -7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.810 26.012 -6.629 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.060 24.951 -6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.516 25.472 -3.987 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.784 26.145 -5.598 1.00 0.00 H new ATOM 257 N SER A 22 -2.636 21.631 -6.610 1.00 0.00 N ATOM 258 CA SER A 22 -3.233 20.333 -6.319 1.00 0.00 C ATOM 259 C SER A 22 -3.068 19.978 -4.845 1.00 0.00 C ATOM 260 O SER A 22 -2.099 20.379 -4.203 1.00 0.00 O ATOM 261 CB SER A 22 -2.598 19.249 -7.192 1.00 0.00 C ATOM 262 OG SER A 22 -3.232 19.176 -8.457 1.00 0.00 O ATOM 0 H SER A 22 -1.623 21.665 -6.494 1.00 0.00 H new ATOM 0 HA SER A 22 -4.298 20.391 -6.543 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.537 19.460 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.670 18.284 -6.689 1.00 0.00 H new ATOM 0 HG SER A 22 -2.807 18.477 -8.996 1.00 0.00 H new ATOM 268 N GLY A 23 -4.024 19.220 -4.315 1.00 0.00 N ATOM 269 CA GLY A 23 -3.967 18.823 -2.920 1.00 0.00 C ATOM 270 C GLY A 23 -4.971 17.737 -2.585 1.00 0.00 C ATOM 271 O GLY A 23 -6.141 17.829 -2.955 1.00 0.00 O ATOM 0 H GLY A 23 -4.836 18.874 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.963 18.470 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.153 19.693 -2.290 1.00 0.00 H new ATOM 275 N ARG A 24 -4.512 16.705 -1.884 1.00 0.00 N ATOM 276 CA ARG A 24 -5.378 15.596 -1.502 1.00 0.00 C ATOM 277 C ARG A 24 -5.538 15.528 0.014 1.00 0.00 C ATOM 278 O ARG A 24 -4.820 14.793 0.691 1.00 0.00 O ATOM 279 CB ARG A 24 -4.811 14.275 -2.026 1.00 0.00 C ATOM 280 CG ARG A 24 -5.145 14.005 -3.484 1.00 0.00 C ATOM 281 CD ARG A 24 -4.088 14.580 -4.413 1.00 0.00 C ATOM 282 NE ARG A 24 -4.560 14.667 -5.792 1.00 0.00 N ATOM 283 CZ ARG A 24 -4.572 13.637 -6.632 1.00 0.00 C ATOM 284 NH1 ARG A 24 -4.139 12.449 -6.234 1.00 0.00 N ATOM 285 NH2 ARG A 24 -5.017 13.795 -7.872 1.00 0.00 N ATOM 0 H ARG A 24 -3.546 16.614 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.359 15.764 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.728 14.281 -1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.195 13.457 -1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.228 12.930 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.116 14.439 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.801 15.572 -4.065 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.194 13.957 -4.374 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.899 15.568 -6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.796 12.324 -5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.149 11.660 -6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.350 14.708 -8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.026 13.004 -8.515 1.00 0.00 H new ATOM 299 N ARG A 25 -6.483 16.301 0.539 1.00 0.00 N ATOM 300 CA ARG A 25 -6.736 16.330 1.975 1.00 0.00 C ATOM 301 C ARG A 25 -7.431 15.051 2.430 1.00 0.00 C ATOM 302 O ARG A 25 -6.891 14.291 3.234 1.00 0.00 O ATOM 303 CB ARG A 25 -7.590 17.545 2.339 1.00 0.00 C ATOM 304 CG ARG A 25 -6.832 18.861 2.286 1.00 0.00 C ATOM 305 CD ARG A 25 -7.509 19.929 3.132 1.00 0.00 C ATOM 306 NE ARG A 25 -6.661 21.104 3.311 1.00 0.00 N ATOM 307 CZ ARG A 25 -6.935 22.085 4.164 1.00 0.00 C ATOM 308 NH1 ARG A 25 -8.029 22.032 4.911 1.00 0.00 N ATOM 309 NH2 ARG A 25 -6.114 23.122 4.270 1.00 0.00 N ATOM 0 H ARG A 25 -7.086 16.915 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.776 16.403 2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.440 17.598 1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.993 17.408 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.812 18.709 2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.765 19.202 1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.445 20.226 2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.762 19.513 4.107 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.812 21.176 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.663 21.237 4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.237 22.787 5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.272 23.166 3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.325 23.875 4.925 1.00 0.00 H new ATOM 323 N SER A 26 -8.633 14.819 1.911 1.00 0.00 N ATOM 324 CA SER A 26 -9.404 13.634 2.268 1.00 0.00 C ATOM 325 C SER A 26 -10.405 13.287 1.170 1.00 0.00 C ATOM 326 O SER A 26 -10.795 14.143 0.377 1.00 0.00 O ATOM 327 CB SER A 26 -10.139 13.857 3.591 1.00 0.00 C ATOM 328 OG SER A 26 -11.021 14.964 3.505 1.00 0.00 O ATOM 0 H SER A 26 -9.094 15.436 1.242 1.00 0.00 H new ATOM 0 HA SER A 26 -8.711 12.800 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.700 12.961 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.415 14.026 4.389 1.00 0.00 H new ATOM 0 HG SER A 26 -11.480 15.084 4.363 1.00 0.00 H new ATOM 334 N ALA A 27 -10.816 12.024 1.131 1.00 0.00 N ATOM 335 CA ALA A 27 -11.772 11.562 0.132 1.00 0.00 C ATOM 336 C ALA A 27 -12.189 10.120 0.397 1.00 0.00 C ATOM 337 O ALA A 27 -11.471 9.346 1.031 1.00 0.00 O ATOM 338 CB ALA A 27 -11.182 11.695 -1.264 1.00 0.00 C ATOM 0 H ALA A 27 -10.502 11.302 1.780 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.662 12.188 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.907 11.346 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.941 12.740 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.275 11.094 -1.335 1.00 0.00 H new ATOM 344 N PRO A 28 -13.379 9.746 -0.097 1.00 0.00 N ATOM 345 CA PRO A 28 -13.919 8.394 0.074 1.00 0.00 C ATOM 346 C PRO A 28 -13.148 7.356 -0.732 1.00 0.00 C ATOM 347 O PRO A 28 -12.333 7.684 -1.595 1.00 0.00 O ATOM 348 CB PRO A 28 -15.354 8.517 -0.444 1.00 0.00 C ATOM 349 CG PRO A 28 -15.314 9.658 -1.402 1.00 0.00 C ATOM 350 CD PRO A 28 -14.289 10.616 -0.862 1.00 0.00 C ATOM 0 HA PRO A 28 -13.853 8.056 1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.678 7.599 -0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -16.054 8.707 0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.043 9.319 -2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -16.291 10.135 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.766 11.139 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -14.745 11.377 -0.229 1.00 0.00 H new ATOM 358 N PRO A 29 -13.408 6.071 -0.448 1.00 0.00 N ATOM 359 CA PRO A 29 -12.749 4.958 -1.137 1.00 0.00 C ATOM 360 C PRO A 29 -13.197 4.829 -2.589 1.00 0.00 C ATOM 361 O PRO A 29 -14.194 5.425 -2.998 1.00 0.00 O ATOM 362 CB PRO A 29 -13.188 3.732 -0.332 1.00 0.00 C ATOM 363 CG PRO A 29 -14.479 4.132 0.294 1.00 0.00 C ATOM 364 CD PRO A 29 -14.367 5.606 0.569 1.00 0.00 C ATOM 0 HA PRO A 29 -11.668 5.090 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.313 2.861 -0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.447 3.468 0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.317 3.922 -0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.655 3.576 1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.330 6.107 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.007 5.800 1.579 1.00 0.00 H new ATOM 372 N LEU A 30 -12.454 4.047 -3.365 1.00 0.00 N ATOM 373 CA LEU A 30 -12.775 3.839 -4.773 1.00 0.00 C ATOM 374 C LEU A 30 -14.012 2.960 -4.925 1.00 0.00 C ATOM 375 O LEU A 30 -14.182 1.980 -4.201 1.00 0.00 O ATOM 376 CB LEU A 30 -11.589 3.200 -5.498 1.00 0.00 C ATOM 377 CG LEU A 30 -11.485 3.486 -6.996 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.046 3.348 -7.467 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.396 2.553 -7.781 1.00 0.00 C ATOM 0 H LEU A 30 -11.625 3.547 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.985 4.811 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.671 3.539 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.642 2.120 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.807 4.512 -7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.992 3.555 -8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.417 4.056 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.696 2.333 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.309 2.771 -8.846 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.104 1.519 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.428 2.700 -7.463 1.00 0.00 H new ATOM 391 N ASN A 31 -14.872 3.317 -5.874 1.00 0.00 N ATOM 392 CA ASN A 31 -16.093 2.560 -6.123 1.00 0.00 C ATOM 393 C ASN A 31 -15.809 1.340 -6.994 1.00 0.00 C ATOM 394 O ASN A 31 -15.616 1.460 -8.205 1.00 0.00 O ATOM 395 CB ASN A 31 -17.141 3.449 -6.796 1.00 0.00 C ATOM 396 CG ASN A 31 -16.632 4.068 -8.083 1.00 0.00 C ATOM 397 OD1 ASN A 31 -15.641 4.797 -8.085 1.00 0.00 O ATOM 398 ND2 ASN A 31 -17.312 3.779 -9.187 1.00 0.00 N ATOM 0 H ASN A 31 -14.746 4.126 -6.483 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.480 2.217 -5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.033 2.859 -7.007 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.438 4.240 -6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.018 4.167 -10.083 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.128 3.169 -9.138 1.00 0.00 H new ATOM 405 N LEU A 32 -15.785 0.168 -6.370 1.00 0.00 N ATOM 406 CA LEU A 32 -15.524 -1.075 -7.089 1.00 0.00 C ATOM 407 C LEU A 32 -16.745 -1.503 -7.897 1.00 0.00 C ATOM 408 O LEU A 32 -16.645 -1.787 -9.091 1.00 0.00 O ATOM 409 CB LEU A 32 -15.136 -2.182 -6.107 1.00 0.00 C ATOM 410 CG LEU A 32 -14.059 -1.823 -5.082 1.00 0.00 C ATOM 411 CD1 LEU A 32 -13.925 -2.924 -4.042 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.727 -1.574 -5.773 1.00 0.00 C ATOM 0 H LEU A 32 -15.943 0.052 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.697 -0.901 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.032 -2.493 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.792 -3.044 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.358 -0.906 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.154 -2.652 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.876 -3.054 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.649 -3.857 -4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.973 -1.320 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.421 -2.473 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.832 -0.750 -6.479 1.00 0.00 H new ATOM 424 N THR A 33 -17.900 -1.544 -7.239 1.00 0.00 N ATOM 425 CA THR A 33 -19.140 -1.935 -7.897 1.00 0.00 C ATOM 426 C THR A 33 -19.185 -1.429 -9.334 1.00 0.00 C ATOM 427 O THR A 33 -19.405 -0.243 -9.577 1.00 0.00 O ATOM 428 CB THR A 33 -20.370 -1.402 -7.138 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.571 -1.865 -7.765 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.366 0.118 -7.100 1.00 0.00 C ATOM 0 H THR A 33 -18.002 -1.311 -6.251 1.00 0.00 H new ATOM 0 HA THR A 33 -19.166 -3.025 -7.899 1.00 0.00 H new ATOM 0 HB THR A 33 -20.327 -1.775 -6.115 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.348 -1.523 -7.276 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.244 0.471 -6.559 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.465 0.467 -6.596 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.386 0.507 -8.118 1.00 0.00 H new ATOM 438 N GLY A 34 -18.974 -2.335 -10.283 1.00 0.00 N ATOM 439 CA GLY A 34 -18.995 -1.960 -11.685 1.00 0.00 C ATOM 440 C GLY A 34 -17.658 -2.180 -12.364 1.00 0.00 C ATOM 441 O GLY A 34 -17.585 -2.816 -13.416 1.00 0.00 O ATOM 0 H GLY A 34 -18.789 -3.322 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.761 -2.539 -12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.275 -0.910 -11.773 1.00 0.00 H new ATOM 445 N LEU A 35 -16.597 -1.653 -11.763 1.00 0.00 N ATOM 446 CA LEU A 35 -15.255 -1.793 -12.318 1.00 0.00 C ATOM 447 C LEU A 35 -14.996 -3.230 -12.759 1.00 0.00 C ATOM 448 O LEU A 35 -15.439 -4.189 -12.127 1.00 0.00 O ATOM 449 CB LEU A 35 -14.209 -1.368 -11.286 1.00 0.00 C ATOM 450 CG LEU A 35 -13.985 0.137 -11.138 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.144 0.433 -9.906 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.324 0.703 -12.386 1.00 0.00 C ATOM 0 H LEU A 35 -16.640 -1.125 -10.891 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.180 -1.145 -13.191 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.502 -1.769 -10.315 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.259 -1.832 -11.549 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.955 0.619 -11.015 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.995 1.509 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.657 0.063 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.177 -0.061 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.172 1.775 -12.263 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.361 0.216 -12.541 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.964 0.524 -13.250 1.00 0.00 H new ATOM 464 N PRO A 36 -14.260 -3.385 -13.869 1.00 0.00 N ATOM 465 CA PRO A 36 -13.923 -4.702 -14.419 1.00 0.00 C ATOM 466 C PRO A 36 -12.935 -5.461 -13.540 1.00 0.00 C ATOM 467 O PRO A 36 -12.044 -4.866 -12.934 1.00 0.00 O ATOM 468 CB PRO A 36 -13.289 -4.370 -15.772 1.00 0.00 C ATOM 469 CG PRO A 36 -12.757 -2.988 -15.612 1.00 0.00 C ATOM 470 CD PRO A 36 -13.700 -2.286 -14.674 1.00 0.00 C ATOM 0 HA PRO A 36 -14.797 -5.350 -14.490 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.495 -5.074 -16.020 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.023 -4.421 -16.576 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.745 -3.004 -15.208 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.709 -2.475 -16.573 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.180 -1.557 -14.053 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.478 -1.747 -15.215 1.00 0.00 H new ATOM 478 N GLY A 37 -13.098 -6.779 -13.475 1.00 0.00 N ATOM 479 CA GLY A 37 -12.212 -7.597 -12.668 1.00 0.00 C ATOM 480 C GLY A 37 -12.656 -7.679 -11.221 1.00 0.00 C ATOM 481 O GLY A 37 -12.094 -8.440 -10.433 1.00 0.00 O ATOM 0 H GLY A 37 -13.828 -7.295 -13.967 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.167 -8.602 -13.088 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.203 -7.187 -12.713 1.00 0.00 H new ATOM 485 N THR A 38 -13.667 -6.890 -10.869 1.00 0.00 N ATOM 486 CA THR A 38 -14.184 -6.874 -9.506 1.00 0.00 C ATOM 487 C THR A 38 -14.774 -8.227 -9.126 1.00 0.00 C ATOM 488 O THR A 38 -14.941 -8.532 -7.945 1.00 0.00 O ATOM 489 CB THR A 38 -15.262 -5.789 -9.328 1.00 0.00 C ATOM 490 OG1 THR A 38 -14.664 -4.489 -9.384 1.00 0.00 O ATOM 491 CG2 THR A 38 -15.989 -5.960 -8.002 1.00 0.00 C ATOM 0 H THR A 38 -14.144 -6.254 -11.509 1.00 0.00 H new ATOM 0 HA THR A 38 -13.342 -6.651 -8.851 1.00 0.00 H new ATOM 0 HB THR A 38 -15.985 -5.892 -10.137 1.00 0.00 H new ATOM 0 HG1 THR A 38 -14.783 -4.112 -10.281 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.746 -5.182 -7.899 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.468 -6.939 -7.973 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.274 -5.882 -7.183 1.00 0.00 H new ATOM 499 N GLU A 39 -15.087 -9.036 -10.134 1.00 0.00 N ATOM 500 CA GLU A 39 -15.659 -10.357 -9.903 1.00 0.00 C ATOM 501 C GLU A 39 -14.578 -11.434 -9.952 1.00 0.00 C ATOM 502 O GLU A 39 -14.824 -12.593 -9.617 1.00 0.00 O ATOM 503 CB GLU A 39 -16.741 -10.658 -10.942 1.00 0.00 C ATOM 504 CG GLU A 39 -16.207 -11.314 -12.204 1.00 0.00 C ATOM 505 CD GLU A 39 -17.309 -11.702 -13.171 1.00 0.00 C ATOM 506 OE1 GLU A 39 -18.328 -10.981 -13.228 1.00 0.00 O ATOM 507 OE2 GLU A 39 -17.153 -12.725 -13.870 1.00 0.00 O ATOM 0 H GLU A 39 -14.954 -8.800 -11.117 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.108 -10.361 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.492 -11.309 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.244 -9.729 -11.210 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.517 -10.631 -12.700 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.636 -12.203 -11.934 1.00 0.00 H new ATOM 514 N LYS A 40 -13.380 -11.042 -10.371 1.00 0.00 N ATOM 515 CA LYS A 40 -12.259 -11.970 -10.464 1.00 0.00 C ATOM 516 C LYS A 40 -11.558 -12.113 -9.118 1.00 0.00 C ATOM 517 O LYS A 40 -11.357 -13.225 -8.626 1.00 0.00 O ATOM 518 CB LYS A 40 -11.262 -11.494 -11.523 1.00 0.00 C ATOM 519 CG LYS A 40 -11.735 -11.718 -12.949 1.00 0.00 C ATOM 520 CD LYS A 40 -10.566 -11.895 -13.903 1.00 0.00 C ATOM 521 CE LYS A 40 -11.023 -11.881 -15.354 1.00 0.00 C ATOM 522 NZ LYS A 40 -11.698 -13.153 -15.734 1.00 0.00 N ATOM 0 H LYS A 40 -13.160 -10.086 -10.652 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.650 -12.945 -10.755 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.069 -10.431 -11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.315 -12.013 -11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.374 -12.601 -12.987 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.342 -10.871 -13.269 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.840 -11.099 -13.742 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.060 -12.836 -13.689 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.706 -11.046 -15.512 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.164 -11.717 -16.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.995 -13.105 -16.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.039 -13.947 -15.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.533 -13.297 -15.131 1.00 0.00 H new ATOM 536 N LEU A 41 -11.189 -10.983 -8.525 1.00 0.00 N ATOM 537 CA LEU A 41 -10.511 -10.983 -7.233 1.00 0.00 C ATOM 538 C LEU A 41 -11.513 -11.123 -6.092 1.00 0.00 C ATOM 539 O LEU A 41 -12.721 -11.183 -6.318 1.00 0.00 O ATOM 540 CB LEU A 41 -9.702 -9.696 -7.061 1.00 0.00 C ATOM 541 CG LEU A 41 -10.329 -8.426 -7.637 1.00 0.00 C ATOM 542 CD1 LEU A 41 -11.763 -8.273 -7.154 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.503 -7.205 -7.259 1.00 0.00 C ATOM 0 H LEU A 41 -11.348 -10.055 -8.918 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.835 -11.838 -7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.527 -9.540 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.727 -9.839 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.340 -8.509 -8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.193 -7.364 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.349 -9.134 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.776 -8.211 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.964 -6.310 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.459 -7.117 -6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.493 -7.312 -7.655 1.00 0.00 H new ATOM 555 N ASN A 42 -11.003 -11.174 -4.866 1.00 0.00 N ATOM 556 CA ASN A 42 -11.854 -11.306 -3.689 1.00 0.00 C ATOM 557 C ASN A 42 -11.693 -10.103 -2.764 1.00 0.00 C ATOM 558 O ASN A 42 -10.911 -9.195 -3.042 1.00 0.00 O ATOM 559 CB ASN A 42 -11.518 -12.593 -2.933 1.00 0.00 C ATOM 560 CG ASN A 42 -11.244 -13.756 -3.866 1.00 0.00 C ATOM 561 OD1 ASN A 42 -10.234 -13.777 -4.570 1.00 0.00 O ATOM 562 ND2 ASN A 42 -12.144 -14.732 -3.875 1.00 0.00 N ATOM 0 H ASN A 42 -10.005 -11.126 -4.662 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.891 -11.349 -4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.645 -12.423 -2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.345 -12.849 -2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.013 -15.541 -4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.967 -14.673 -3.275 1.00 0.00 H new ATOM 569 N GLU A 43 -12.439 -10.106 -1.664 1.00 0.00 N ATOM 570 CA GLU A 43 -12.379 -9.014 -0.698 1.00 0.00 C ATOM 571 C GLU A 43 -10.933 -8.688 -0.335 1.00 0.00 C ATOM 572 O GLU A 43 -10.540 -7.522 -0.290 1.00 0.00 O ATOM 573 CB GLU A 43 -13.164 -9.377 0.564 1.00 0.00 C ATOM 574 CG GLU A 43 -12.659 -10.632 1.255 1.00 0.00 C ATOM 575 CD GLU A 43 -11.546 -10.347 2.245 1.00 0.00 C ATOM 576 OE1 GLU A 43 -11.460 -9.196 2.723 1.00 0.00 O ATOM 577 OE2 GLU A 43 -10.762 -11.272 2.540 1.00 0.00 O ATOM 0 H GLU A 43 -13.091 -10.851 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.828 -8.132 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.116 -8.543 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.213 -9.514 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.487 -11.114 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.300 -11.336 0.504 1.00 0.00 H new ATOM 584 N LYS A 44 -10.146 -9.726 -0.076 1.00 0.00 N ATOM 585 CA LYS A 44 -8.743 -9.553 0.282 1.00 0.00 C ATOM 586 C LYS A 44 -8.083 -8.496 -0.598 1.00 0.00 C ATOM 587 O LYS A 44 -7.336 -7.649 -0.110 1.00 0.00 O ATOM 588 CB LYS A 44 -7.994 -10.881 0.152 1.00 0.00 C ATOM 589 CG LYS A 44 -8.087 -11.757 1.390 1.00 0.00 C ATOM 590 CD LYS A 44 -7.050 -12.866 1.367 1.00 0.00 C ATOM 591 CE LYS A 44 -7.471 -14.005 0.452 1.00 0.00 C ATOM 592 NZ LYS A 44 -6.637 -15.221 0.660 1.00 0.00 N ATOM 0 H LYS A 44 -10.456 -10.697 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.697 -9.218 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.391 -11.430 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.944 -10.677 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.947 -11.145 2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.084 -12.192 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.094 -12.464 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.900 -13.246 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.518 -14.248 0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.393 -13.684 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.801 -15.891 -0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.632 -14.953 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.895 -15.669 1.563 1.00 0.00 H new ATOM 606 N GLU A 45 -8.365 -8.553 -1.895 1.00 0.00 N ATOM 607 CA GLU A 45 -7.799 -7.600 -2.842 1.00 0.00 C ATOM 608 C GLU A 45 -8.675 -6.355 -2.951 1.00 0.00 C ATOM 609 O GLU A 45 -8.195 -5.230 -2.814 1.00 0.00 O ATOM 610 CB GLU A 45 -7.640 -8.247 -4.219 1.00 0.00 C ATOM 611 CG GLU A 45 -6.913 -9.581 -4.184 1.00 0.00 C ATOM 612 CD GLU A 45 -7.855 -10.755 -4.000 1.00 0.00 C ATOM 613 OE1 GLU A 45 -8.497 -10.837 -2.932 1.00 0.00 O ATOM 614 OE2 GLU A 45 -7.951 -11.590 -4.924 1.00 0.00 O ATOM 0 H GLU A 45 -8.982 -9.249 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.817 -7.302 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.627 -8.392 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.097 -7.564 -4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.354 -9.710 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.186 -9.573 -3.372 1.00 0.00 H new ATOM 621 N LYS A 46 -9.963 -6.566 -3.200 1.00 0.00 N ATOM 622 CA LYS A 46 -10.908 -5.463 -3.328 1.00 0.00 C ATOM 623 C LYS A 46 -10.607 -4.368 -2.310 1.00 0.00 C ATOM 624 O LYS A 46 -10.666 -3.180 -2.628 1.00 0.00 O ATOM 625 CB LYS A 46 -12.341 -5.968 -3.140 1.00 0.00 C ATOM 626 CG LYS A 46 -12.802 -6.911 -4.238 1.00 0.00 C ATOM 627 CD LYS A 46 -14.125 -7.571 -3.887 1.00 0.00 C ATOM 628 CE LYS A 46 -15.289 -6.606 -4.050 1.00 0.00 C ATOM 629 NZ LYS A 46 -15.493 -5.773 -2.832 1.00 0.00 N ATOM 0 H LYS A 46 -10.376 -7.491 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.805 -5.043 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.415 -6.478 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.016 -5.113 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.906 -6.360 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.044 -7.677 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.280 -8.441 -4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.091 -7.932 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.106 -5.958 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.199 -7.167 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.390 -6.037 -2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.708 -5.931 -2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.524 -4.768 -3.100 1.00 0.00 H new ATOM 643 N GLU A 47 -10.283 -4.775 -1.087 1.00 0.00 N ATOM 644 CA GLU A 47 -9.972 -3.827 -0.024 1.00 0.00 C ATOM 645 C GLU A 47 -8.881 -2.854 -0.464 1.00 0.00 C ATOM 646 O GLU A 47 -9.021 -1.639 -0.319 1.00 0.00 O ATOM 647 CB GLU A 47 -9.529 -4.569 1.239 1.00 0.00 C ATOM 648 CG GLU A 47 -8.668 -3.730 2.168 1.00 0.00 C ATOM 649 CD GLU A 47 -8.735 -4.200 3.608 1.00 0.00 C ATOM 650 OE1 GLU A 47 -9.635 -3.738 4.341 1.00 0.00 O ATOM 651 OE2 GLU A 47 -7.888 -5.028 4.002 1.00 0.00 O ATOM 0 H GLU A 47 -10.229 -5.755 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.876 -3.258 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.413 -4.905 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.974 -5.461 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.633 -3.763 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.989 -2.690 2.114 1.00 0.00 H new ATOM 658 N LEU A 48 -7.795 -3.398 -1.003 1.00 0.00 N ATOM 659 CA LEU A 48 -6.679 -2.579 -1.465 1.00 0.00 C ATOM 660 C LEU A 48 -7.138 -1.578 -2.520 1.00 0.00 C ATOM 661 O LEU A 48 -6.758 -0.407 -2.485 1.00 0.00 O ATOM 662 CB LEU A 48 -5.572 -3.467 -2.035 1.00 0.00 C ATOM 663 CG LEU A 48 -4.701 -4.196 -1.011 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.781 -5.189 -1.703 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.894 -3.199 -0.192 1.00 0.00 C ATOM 0 H LEU A 48 -7.663 -4.401 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.289 -2.025 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.030 -4.211 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.925 -2.851 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.354 -4.748 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.169 -5.698 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.379 -5.922 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.135 -4.659 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.280 -3.735 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.251 -2.620 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.572 -2.527 0.334 1.00 0.00 H new ATOM 677 N CYS A 49 -7.958 -2.046 -3.454 1.00 0.00 N ATOM 678 CA CYS A 49 -8.470 -1.191 -4.519 1.00 0.00 C ATOM 679 C CYS A 49 -9.126 0.060 -3.944 1.00 0.00 C ATOM 680 O CYS A 49 -9.025 1.144 -4.518 1.00 0.00 O ATOM 681 CB CYS A 49 -9.475 -1.959 -5.379 1.00 0.00 C ATOM 682 SG CYS A 49 -8.781 -3.405 -6.213 1.00 0.00 S ATOM 0 H CYS A 49 -8.283 -3.012 -3.496 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.629 -0.885 -5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.305 -2.280 -4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.886 -1.283 -6.129 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.540 -4.438 -5.995 1.00 0.00 H new ATOM 688 N GLN A 50 -9.799 -0.099 -2.809 1.00 0.00 N ATOM 689 CA GLN A 50 -10.473 1.018 -2.158 1.00 0.00 C ATOM 690 C GLN A 50 -9.472 1.905 -1.424 1.00 0.00 C ATOM 691 O GLN A 50 -9.266 3.061 -1.792 1.00 0.00 O ATOM 692 CB GLN A 50 -11.530 0.503 -1.179 1.00 0.00 C ATOM 693 CG GLN A 50 -12.596 -0.361 -1.834 1.00 0.00 C ATOM 694 CD GLN A 50 -13.523 -1.009 -0.825 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.244 -0.325 -0.097 1.00 0.00 O ATOM 696 NE2 GLN A 50 -13.509 -2.336 -0.775 1.00 0.00 N ATOM 0 H GLN A 50 -9.892 -0.990 -2.321 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.962 1.614 -2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.038 -0.073 -0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.010 1.353 -0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -13.182 0.250 -2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.114 -1.136 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.896 -2.863 -1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.111 -2.828 -0.115 1.00 0.00 H new ATOM 705 N VAL A 51 -8.853 1.355 -0.384 1.00 0.00 N ATOM 706 CA VAL A 51 -7.874 2.096 0.402 1.00 0.00 C ATOM 707 C VAL A 51 -6.794 2.696 -0.492 1.00 0.00 C ATOM 708 O VAL A 51 -6.536 3.899 -0.450 1.00 0.00 O ATOM 709 CB VAL A 51 -7.208 1.197 1.460 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.250 2.006 2.322 1.00 0.00 C ATOM 711 CG2 VAL A 51 -8.262 0.515 2.318 1.00 0.00 C ATOM 0 H VAL A 51 -9.012 0.399 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.413 2.899 0.905 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.634 0.425 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.789 1.354 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.475 2.444 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.798 2.800 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.774 -0.116 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.864 1.270 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.905 -0.098 1.686 1.00 0.00 H new ATOM 721 N VAL A 52 -6.164 1.850 -1.300 1.00 0.00 N ATOM 722 CA VAL A 52 -5.112 2.296 -2.205 1.00 0.00 C ATOM 723 C VAL A 52 -5.693 3.074 -3.381 1.00 0.00 C ATOM 724 O VAL A 52 -4.964 3.733 -4.123 1.00 0.00 O ATOM 725 CB VAL A 52 -4.293 1.108 -2.744 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.013 1.597 -3.403 1.00 0.00 C ATOM 727 CG2 VAL A 52 -3.985 0.124 -1.626 1.00 0.00 C ATOM 0 H VAL A 52 -6.364 0.851 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.455 2.948 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.887 0.592 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.448 0.744 -3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.261 2.260 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.412 2.138 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.406 -0.709 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.411 0.626 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.918 -0.251 -1.204 1.00 0.00 H new ATOM 737 N ARG A 53 -7.009 2.992 -3.545 1.00 0.00 N ATOM 738 CA ARG A 53 -7.688 3.688 -4.632 1.00 0.00 C ATOM 739 C ARG A 53 -7.148 3.239 -5.987 1.00 0.00 C ATOM 740 O ARG A 53 -6.779 4.063 -6.824 1.00 0.00 O ATOM 741 CB ARG A 53 -7.521 5.201 -4.480 1.00 0.00 C ATOM 742 CG ARG A 53 -7.836 5.711 -3.083 1.00 0.00 C ATOM 743 CD ARG A 53 -7.055 6.977 -2.764 1.00 0.00 C ATOM 744 NE ARG A 53 -7.771 7.839 -1.828 1.00 0.00 N ATOM 745 CZ ARG A 53 -7.172 8.726 -1.041 1.00 0.00 C ATOM 746 NH1 ARG A 53 -5.854 8.866 -1.077 1.00 0.00 N ATOM 747 NH2 ARG A 53 -7.892 9.475 -0.215 1.00 0.00 N ATOM 0 H ARG A 53 -7.626 2.451 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.748 3.440 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.496 5.472 -4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.171 5.704 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.904 5.910 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.597 4.940 -2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.086 6.709 -2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.860 7.525 -3.686 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.786 7.756 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.297 8.292 -1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.397 9.548 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.906 9.370 -0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.431 10.156 0.389 1.00 0.00 H new ATOM 761 N LEU A 54 -7.103 1.928 -6.195 1.00 0.00 N ATOM 762 CA LEU A 54 -6.607 1.368 -7.447 1.00 0.00 C ATOM 763 C LEU A 54 -7.660 0.479 -8.101 1.00 0.00 C ATOM 764 O LEU A 54 -8.423 -0.204 -7.418 1.00 0.00 O ATOM 765 CB LEU A 54 -5.328 0.566 -7.200 1.00 0.00 C ATOM 766 CG LEU A 54 -4.950 -0.445 -8.282 1.00 0.00 C ATOM 767 CD1 LEU A 54 -4.259 0.250 -9.445 1.00 0.00 C ATOM 768 CD2 LEU A 54 -4.061 -1.537 -7.705 1.00 0.00 C ATOM 0 H LEU A 54 -7.404 1.232 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.385 2.194 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.501 1.266 -7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.434 0.034 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.864 -0.908 -8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.997 -0.486 -10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.930 0.993 -9.875 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.353 0.741 -9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.802 -2.248 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.151 -1.091 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.593 -2.055 -6.907 1.00 0.00 H new ATOM 780 N VAL A 55 -7.695 0.491 -9.430 1.00 0.00 N ATOM 781 CA VAL A 55 -8.651 -0.316 -10.177 1.00 0.00 C ATOM 782 C VAL A 55 -8.344 -1.803 -10.037 1.00 0.00 C ATOM 783 O VAL A 55 -7.203 -2.242 -10.178 1.00 0.00 O ATOM 784 CB VAL A 55 -8.655 0.057 -11.672 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.585 -0.861 -12.450 1.00 0.00 C ATOM 786 CG2 VAL A 55 -9.054 1.513 -11.856 1.00 0.00 C ATOM 0 H VAL A 55 -7.072 1.051 -10.011 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.635 -0.110 -9.756 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.646 -0.072 -12.063 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.574 -0.582 -13.504 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.250 -1.893 -12.345 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.599 -0.767 -12.060 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.052 1.760 -12.918 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.053 1.671 -11.449 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.344 2.154 -11.333 1.00 0.00 H new ATOM 796 N PRO A 56 -9.386 -2.598 -9.752 1.00 0.00 N ATOM 797 CA PRO A 56 -9.253 -4.048 -9.587 1.00 0.00 C ATOM 798 C PRO A 56 -8.946 -4.756 -10.903 1.00 0.00 C ATOM 799 O PRO A 56 -8.133 -5.678 -10.948 1.00 0.00 O ATOM 800 CB PRO A 56 -10.625 -4.473 -9.059 1.00 0.00 C ATOM 801 CG PRO A 56 -11.562 -3.424 -9.551 1.00 0.00 C ATOM 802 CD PRO A 56 -10.774 -2.143 -9.570 1.00 0.00 C ATOM 0 HA PRO A 56 -8.427 -4.308 -8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.904 -5.459 -9.431 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.630 -4.529 -7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.934 -3.668 -10.546 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.430 -3.339 -8.898 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.092 -1.488 -10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.895 -1.583 -8.643 1.00 0.00 H new ATOM 810 N GLY A 57 -9.603 -4.317 -11.973 1.00 0.00 N ATOM 811 CA GLY A 57 -9.387 -4.920 -13.275 1.00 0.00 C ATOM 812 C GLY A 57 -7.948 -4.799 -13.738 1.00 0.00 C ATOM 813 O GLY A 57 -7.500 -5.558 -14.596 1.00 0.00 O ATOM 0 H GLY A 57 -10.281 -3.555 -11.961 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.665 -5.973 -13.235 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.042 -4.445 -14.005 1.00 0.00 H new ATOM 817 N ALA A 58 -7.224 -3.840 -13.170 1.00 0.00 N ATOM 818 CA ALA A 58 -5.829 -3.622 -13.529 1.00 0.00 C ATOM 819 C ALA A 58 -4.894 -4.321 -12.548 1.00 0.00 C ATOM 820 O ALA A 58 -3.899 -4.927 -12.947 1.00 0.00 O ATOM 821 CB ALA A 58 -5.524 -2.132 -13.582 1.00 0.00 C ATOM 0 H ALA A 58 -7.581 -3.202 -12.459 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.663 -4.051 -14.517 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.478 -1.984 -13.851 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.161 -1.656 -14.327 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.714 -1.687 -12.605 1.00 0.00 H new ATOM 827 N TYR A 59 -5.218 -4.232 -11.263 1.00 0.00 N ATOM 828 CA TYR A 59 -4.405 -4.853 -10.224 1.00 0.00 C ATOM 829 C TYR A 59 -4.127 -6.316 -10.553 1.00 0.00 C ATOM 830 O TYR A 59 -3.120 -6.881 -10.122 1.00 0.00 O ATOM 831 CB TYR A 59 -5.105 -4.747 -8.868 1.00 0.00 C ATOM 832 CG TYR A 59 -4.719 -5.843 -7.900 1.00 0.00 C ATOM 833 CD1 TYR A 59 -5.376 -7.067 -7.907 1.00 0.00 C ATOM 834 CD2 TYR A 59 -3.695 -5.655 -6.980 1.00 0.00 C ATOM 835 CE1 TYR A 59 -5.027 -8.070 -7.024 1.00 0.00 C ATOM 836 CE2 TYR A 59 -3.338 -6.653 -6.094 1.00 0.00 C ATOM 837 CZ TYR A 59 -4.007 -7.859 -6.120 1.00 0.00 C ATOM 838 OH TYR A 59 -3.655 -8.856 -5.240 1.00 0.00 O ATOM 0 H TYR A 59 -6.038 -3.735 -10.916 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.454 -4.323 -10.176 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.870 -3.781 -8.422 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.184 -4.773 -9.022 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.173 -7.237 -8.615 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.169 -4.712 -6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.550 -9.015 -7.041 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.540 -6.490 -5.385 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.918 -8.546 -4.673 1.00 0.00 H new ATOM 848 N LEU A 60 -5.025 -6.925 -11.319 1.00 0.00 N ATOM 849 CA LEU A 60 -4.877 -8.323 -11.708 1.00 0.00 C ATOM 850 C LEU A 60 -3.816 -8.478 -12.793 1.00 0.00 C ATOM 851 O LEU A 60 -3.087 -9.469 -12.824 1.00 0.00 O ATOM 852 CB LEU A 60 -6.214 -8.879 -12.203 1.00 0.00 C ATOM 853 CG LEU A 60 -7.375 -8.819 -11.209 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.694 -9.100 -11.912 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.154 -9.806 -10.072 1.00 0.00 C ATOM 0 H LEU A 60 -5.864 -6.473 -11.683 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.558 -8.886 -10.831 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.502 -8.332 -13.101 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.066 -9.918 -12.496 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.418 -7.814 -10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.509 -9.053 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.857 -8.355 -12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.663 -10.093 -12.360 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.989 -9.750 -9.374 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.085 -10.816 -10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.229 -9.560 -9.551 1.00 0.00 H new ATOM 867 N GLU A 61 -3.735 -7.490 -13.679 1.00 0.00 N ATOM 868 CA GLU A 61 -2.762 -7.517 -14.765 1.00 0.00 C ATOM 869 C GLU A 61 -1.338 -7.452 -14.220 1.00 0.00 C ATOM 870 O GLU A 61 -0.420 -8.054 -14.778 1.00 0.00 O ATOM 871 CB GLU A 61 -3.005 -6.353 -15.727 1.00 0.00 C ATOM 872 CG GLU A 61 -3.986 -6.678 -16.840 1.00 0.00 C ATOM 873 CD GLU A 61 -3.558 -7.878 -17.663 1.00 0.00 C ATOM 874 OE1 GLU A 61 -2.359 -7.969 -18.000 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.423 -8.725 -17.970 1.00 0.00 O ATOM 0 H GLU A 61 -4.331 -6.662 -13.666 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.884 -8.456 -15.305 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.379 -5.498 -15.163 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.055 -6.053 -16.168 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.969 -6.870 -16.409 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.088 -5.812 -17.494 1.00 0.00 H new ATOM 882 N TYR A 62 -1.161 -6.716 -13.128 1.00 0.00 N ATOM 883 CA TYR A 62 0.150 -6.569 -12.509 1.00 0.00 C ATOM 884 C TYR A 62 0.563 -7.852 -11.794 1.00 0.00 C ATOM 885 O TYR A 62 1.740 -8.212 -11.769 1.00 0.00 O ATOM 886 CB TYR A 62 0.143 -5.401 -11.521 1.00 0.00 C ATOM 887 CG TYR A 62 -0.593 -4.182 -12.030 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.855 -4.019 -13.385 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.026 -3.194 -11.155 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.526 -2.907 -13.854 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.700 -2.078 -11.615 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.947 -1.939 -12.965 1.00 0.00 C ATOM 893 OH TYR A 62 -2.617 -0.830 -13.428 1.00 0.00 O ATOM 0 H TYR A 62 -1.910 -6.212 -12.653 1.00 0.00 H new ATOM 0 HA TYR A 62 0.874 -6.365 -13.298 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.315 -5.728 -10.588 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.172 -5.124 -11.291 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.528 -4.775 -14.083 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.833 -3.299 -10.098 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.720 -2.795 -14.911 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.031 -1.319 -10.921 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.844 -0.247 -12.674 1.00 0.00 H new ATOM 903 N LYS A 63 -0.416 -8.539 -11.215 1.00 0.00 N ATOM 904 CA LYS A 63 -0.158 -9.784 -10.500 1.00 0.00 C ATOM 905 C LYS A 63 0.781 -10.684 -11.296 1.00 0.00 C ATOM 906 O LYS A 63 1.863 -11.037 -10.827 1.00 0.00 O ATOM 907 CB LYS A 63 -1.472 -10.518 -10.223 1.00 0.00 C ATOM 908 CG LYS A 63 -2.299 -9.889 -9.116 1.00 0.00 C ATOM 909 CD LYS A 63 -1.994 -10.517 -7.766 1.00 0.00 C ATOM 910 CE LYS A 63 -0.588 -10.175 -7.298 1.00 0.00 C ATOM 911 NZ LYS A 63 0.408 -11.187 -7.746 1.00 0.00 N ATOM 0 H LYS A 63 -1.396 -8.255 -11.227 1.00 0.00 H new ATOM 0 HA LYS A 63 0.321 -9.537 -9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.064 -10.543 -11.138 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.252 -11.552 -9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.098 -8.819 -9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.359 -10.006 -9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.719 -10.169 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.103 -11.599 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.306 -9.194 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.574 -10.108 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.718 -11.753 -6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.026 -11.811 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.229 -10.705 -8.165 1.00 0.00 H new ATOM 925 N SER A 64 0.362 -11.050 -12.503 1.00 0.00 N ATOM 926 CA SER A 64 1.165 -11.910 -13.363 1.00 0.00 C ATOM 927 C SER A 64 2.599 -11.398 -13.458 1.00 0.00 C ATOM 928 O SER A 64 3.547 -12.111 -13.132 1.00 0.00 O ATOM 929 CB SER A 64 0.547 -11.991 -14.761 1.00 0.00 C ATOM 930 OG SER A 64 -0.560 -12.874 -14.778 1.00 0.00 O ATOM 0 H SER A 64 -0.530 -10.764 -12.907 1.00 0.00 H new ATOM 0 HA SER A 64 1.182 -12.907 -12.923 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.229 -10.998 -15.080 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.298 -12.330 -15.475 1.00 0.00 H new ATOM 0 HG SER A 64 -0.938 -12.907 -15.681 1.00 0.00 H new ATOM 936 N ALA A 65 2.748 -10.156 -13.905 1.00 0.00 N ATOM 937 CA ALA A 65 4.065 -9.546 -14.041 1.00 0.00 C ATOM 938 C ALA A 65 4.850 -9.639 -12.737 1.00 0.00 C ATOM 939 O ALA A 65 5.869 -10.328 -12.661 1.00 0.00 O ATOM 940 CB ALA A 65 3.932 -8.094 -14.477 1.00 0.00 C ATOM 0 H ALA A 65 1.973 -9.552 -14.179 1.00 0.00 H new ATOM 0 HA ALA A 65 4.615 -10.094 -14.806 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.923 -7.651 -14.575 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.418 -8.048 -15.437 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.359 -7.541 -13.732 1.00 0.00 H new ATOM 946 N LEU A 66 4.372 -8.941 -11.713 1.00 0.00 N ATOM 947 CA LEU A 66 5.030 -8.945 -10.411 1.00 0.00 C ATOM 948 C LEU A 66 5.525 -10.343 -10.054 1.00 0.00 C ATOM 949 O LEU A 66 6.662 -10.517 -9.615 1.00 0.00 O ATOM 950 CB LEU A 66 4.070 -8.440 -9.331 1.00 0.00 C ATOM 951 CG LEU A 66 3.865 -6.926 -9.270 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.145 -6.537 -7.988 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.199 -6.202 -9.375 1.00 0.00 C ATOM 0 H LEU A 66 3.531 -8.365 -11.759 1.00 0.00 H new ATOM 0 HA LEU A 66 5.891 -8.278 -10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.100 -8.912 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.437 -8.776 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 66 3.246 -6.628 -10.116 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.008 -5.456 -7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.172 -7.027 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.739 -6.848 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.033 -5.126 -9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.843 -6.505 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.677 -6.456 -10.321 1.00 0.00 H new ATOM 965 N LEU A 67 4.665 -11.336 -10.248 1.00 0.00 N ATOM 966 CA LEU A 67 5.015 -12.721 -9.950 1.00 0.00 C ATOM 967 C LEU A 67 5.976 -13.277 -10.996 1.00 0.00 C ATOM 968 O LEU A 67 6.778 -14.163 -10.706 1.00 0.00 O ATOM 969 CB LEU A 67 3.754 -13.584 -9.888 1.00 0.00 C ATOM 970 CG LEU A 67 2.746 -13.224 -8.796 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.441 -13.976 -9.005 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.322 -13.523 -7.419 1.00 0.00 C ATOM 0 H LEU A 67 3.720 -11.209 -10.610 1.00 0.00 H new ATOM 0 HA LEU A 67 5.511 -12.744 -8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.250 -13.525 -10.853 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.055 -14.622 -9.748 1.00 0.00 H new ATOM 0 HG LEU A 67 2.539 -12.156 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.736 -13.707 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.020 -13.712 -9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.630 -15.049 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.591 -13.261 -6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.558 -14.585 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.230 -12.938 -7.269 1.00 0.00 H new ATOM 984 N ASN A 68 5.888 -12.749 -12.212 1.00 0.00 N ATOM 985 CA ASN A 68 6.751 -13.192 -13.302 1.00 0.00 C ATOM 986 C ASN A 68 8.218 -12.933 -12.973 1.00 0.00 C ATOM 987 O ASN A 68 9.005 -13.868 -12.826 1.00 0.00 O ATOM 988 CB ASN A 68 6.375 -12.477 -14.601 1.00 0.00 C ATOM 989 CG ASN A 68 6.654 -13.323 -15.828 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.760 -13.835 -16.004 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.650 -13.473 -16.684 1.00 0.00 N ATOM 0 H ASN A 68 5.228 -12.014 -12.468 1.00 0.00 H new ATOM 0 HA ASN A 68 6.609 -14.265 -13.431 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.317 -12.216 -14.576 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.932 -11.543 -14.673 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.779 -14.031 -17.528 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.750 -13.030 -16.497 1.00 0.00 H new ATOM 998 N GLU A 69 8.578 -11.659 -12.857 1.00 0.00 N ATOM 999 CA GLU A 69 9.951 -11.278 -12.546 1.00 0.00 C ATOM 1000 C GLU A 69 10.465 -12.044 -11.331 1.00 0.00 C ATOM 1001 O GLU A 69 11.397 -12.843 -11.437 1.00 0.00 O ATOM 1002 CB GLU A 69 10.040 -9.772 -12.288 1.00 0.00 C ATOM 1003 CG GLU A 69 11.429 -9.198 -12.510 1.00 0.00 C ATOM 1004 CD GLU A 69 11.704 -8.882 -13.968 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.593 -9.801 -14.806 1.00 0.00 O ATOM 1006 OE2 GLU A 69 12.028 -7.714 -14.270 1.00 0.00 O ATOM 0 H GLU A 69 7.938 -10.873 -12.974 1.00 0.00 H new ATOM 0 HA GLU A 69 10.574 -11.530 -13.404 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.335 -9.258 -12.941 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.732 -9.569 -11.263 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.542 -8.290 -11.918 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.173 -9.908 -12.149 1.00 0.00 H new ATOM 1013 N CYS A 70 9.853 -11.795 -10.179 1.00 0.00 N ATOM 1014 CA CYS A 70 10.249 -12.460 -8.943 1.00 0.00 C ATOM 1015 C CYS A 70 10.442 -13.957 -9.168 1.00 0.00 C ATOM 1016 O CYS A 70 11.440 -14.536 -8.739 1.00 0.00 O ATOM 1017 CB CYS A 70 9.201 -12.227 -7.854 1.00 0.00 C ATOM 1018 SG CYS A 70 9.590 -13.012 -6.273 1.00 0.00 S ATOM 0 H CYS A 70 9.080 -11.137 -10.075 1.00 0.00 H new ATOM 0 HA CYS A 70 11.199 -12.034 -8.620 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.089 -11.154 -7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.239 -12.600 -8.205 1.00 0.00 H new ATOM 0 HG CYS A 70 10.466 -13.954 -6.460 1.00 0.00 H new ATOM 1024 N HIS A 71 9.478 -14.577 -9.842 1.00 0.00 N ATOM 1025 CA HIS A 71 9.541 -16.007 -10.123 1.00 0.00 C ATOM 1026 C HIS A 71 10.863 -16.372 -10.790 1.00 0.00 C ATOM 1027 O HIS A 71 11.411 -17.451 -10.560 1.00 0.00 O ATOM 1028 CB HIS A 71 8.373 -16.424 -11.017 1.00 0.00 C ATOM 1029 CG HIS A 71 7.129 -16.766 -10.256 1.00 0.00 C ATOM 1030 ND1 HIS A 71 6.228 -17.721 -10.676 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.638 -16.274 -9.094 1.00 0.00 C ATOM 1032 CE1 HIS A 71 5.236 -17.802 -9.807 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.461 -16.933 -8.837 1.00 0.00 N ATOM 0 H HIS A 71 8.645 -14.112 -10.203 1.00 0.00 H new ATOM 0 HA HIS A 71 9.473 -16.542 -9.176 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.152 -15.615 -11.713 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.672 -17.286 -11.614 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.088 -15.506 -8.483 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.386 -18.465 -9.877 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.858 -16.777 -8.029 1.00 0.00 H new ATOM 1042 N LYS A 72 11.372 -15.467 -11.619 1.00 0.00 N ATOM 1043 CA LYS A 72 12.630 -15.692 -12.321 1.00 0.00 C ATOM 1044 C LYS A 72 13.818 -15.313 -11.442 1.00 0.00 C ATOM 1045 O LYS A 72 14.823 -16.022 -11.403 1.00 0.00 O ATOM 1046 CB LYS A 72 12.665 -14.884 -13.620 1.00 0.00 C ATOM 1047 CG LYS A 72 11.418 -15.046 -14.471 1.00 0.00 C ATOM 1048 CD LYS A 72 11.156 -13.812 -15.318 1.00 0.00 C ATOM 1049 CE LYS A 72 12.027 -13.796 -16.564 1.00 0.00 C ATOM 1050 NZ LYS A 72 11.541 -14.758 -17.592 1.00 0.00 N ATOM 0 H LYS A 72 10.932 -14.569 -11.821 1.00 0.00 H new ATOM 0 HA LYS A 72 12.700 -16.753 -12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.795 -13.829 -13.378 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.535 -15.187 -14.203 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.529 -15.916 -15.118 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.559 -15.235 -13.827 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.105 -13.784 -15.607 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.348 -12.916 -14.727 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.041 -12.791 -16.985 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.054 -14.042 -16.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.039 -14.589 -18.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.725 -15.730 -17.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.519 -14.628 -17.734 1.00 0.00 H new ATOM 1064 N GLN A 73 13.694 -14.192 -10.738 1.00 0.00 N ATOM 1065 CA GLN A 73 14.758 -13.721 -9.860 1.00 0.00 C ATOM 1066 C GLN A 73 14.697 -14.422 -8.506 1.00 0.00 C ATOM 1067 O GLN A 73 15.584 -15.200 -8.159 1.00 0.00 O ATOM 1068 CB GLN A 73 14.657 -12.207 -9.668 1.00 0.00 C ATOM 1069 CG GLN A 73 14.290 -11.456 -10.938 1.00 0.00 C ATOM 1070 CD GLN A 73 15.358 -11.562 -12.008 1.00 0.00 C ATOM 1071 OE1 GLN A 73 16.306 -12.337 -11.880 1.00 0.00 O ATOM 1072 NE2 GLN A 73 15.208 -10.783 -13.073 1.00 0.00 N ATOM 0 H GLN A 73 12.868 -13.594 -10.759 1.00 0.00 H new ATOM 0 HA GLN A 73 15.713 -13.958 -10.329 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.911 -11.995 -8.902 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.611 -11.832 -9.297 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.350 -11.847 -11.328 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.123 -10.406 -10.699 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.406 -10.155 -13.137 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.894 -10.812 -13.827 1.00 0.00 H new ATOM 1081 N GLY A 74 13.644 -14.140 -7.746 1.00 0.00 N ATOM 1082 CA GLY A 74 13.487 -14.751 -6.439 1.00 0.00 C ATOM 1083 C GLY A 74 13.436 -13.727 -5.323 1.00 0.00 C ATOM 1084 O GLY A 74 13.079 -14.050 -4.190 1.00 0.00 O ATOM 0 H GLY A 74 12.896 -13.499 -8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.572 -15.344 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.315 -15.438 -6.260 1.00 0.00 H new ATOM 1088 N GLY A 75 13.795 -12.487 -5.641 1.00 0.00 N ATOM 1089 CA GLY A 75 13.783 -11.432 -4.645 1.00 0.00 C ATOM 1090 C GLY A 75 13.442 -10.079 -5.238 1.00 0.00 C ATOM 1091 O GLY A 75 14.330 -9.330 -5.648 1.00 0.00 O ATOM 0 H GLY A 75 14.094 -12.194 -6.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.059 -11.678 -3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.760 -11.379 -4.165 1.00 0.00 H new ATOM 1095 N LEU A 76 12.152 -9.764 -5.285 1.00 0.00 N ATOM 1096 CA LEU A 76 11.695 -8.492 -5.834 1.00 0.00 C ATOM 1097 C LEU A 76 11.381 -7.499 -4.719 1.00 0.00 C ATOM 1098 O LEU A 76 10.886 -7.879 -3.658 1.00 0.00 O ATOM 1099 CB LEU A 76 10.456 -8.706 -6.706 1.00 0.00 C ATOM 1100 CG LEU A 76 10.248 -7.697 -7.836 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.242 -7.943 -8.960 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.821 -7.768 -8.358 1.00 0.00 C ATOM 0 H LEU A 76 11.404 -10.372 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 76 12.497 -8.080 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.511 -9.703 -7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.576 -8.688 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 76 10.419 -6.696 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.079 -7.216 -9.755 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.257 -7.840 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.103 -8.949 -9.355 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.691 -7.043 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.622 -8.770 -8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.126 -7.542 -7.549 1.00 0.00 H new ATOM 1114 N ARG A 77 11.671 -6.227 -4.968 1.00 0.00 N ATOM 1115 CA ARG A 77 11.419 -5.179 -3.986 1.00 0.00 C ATOM 1116 C ARG A 77 10.527 -4.088 -4.572 1.00 0.00 C ATOM 1117 O ARG A 77 10.226 -4.091 -5.766 1.00 0.00 O ATOM 1118 CB ARG A 77 12.738 -4.572 -3.507 1.00 0.00 C ATOM 1119 CG ARG A 77 13.839 -4.603 -4.554 1.00 0.00 C ATOM 1120 CD ARG A 77 14.840 -3.478 -4.344 1.00 0.00 C ATOM 1121 NE ARG A 77 15.932 -3.875 -3.459 1.00 0.00 N ATOM 1122 CZ ARG A 77 16.800 -4.838 -3.750 1.00 0.00 C ATOM 1123 NH1 ARG A 77 16.705 -5.497 -4.896 1.00 0.00 N ATOM 1124 NH2 ARG A 77 17.767 -5.142 -2.893 1.00 0.00 N ATOM 0 H ARG A 77 12.081 -5.897 -5.842 1.00 0.00 H new ATOM 0 HA ARG A 77 10.904 -5.628 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.564 -3.539 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.075 -5.110 -2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.355 -5.562 -4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.400 -4.520 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.247 -3.171 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.329 -2.612 -3.923 1.00 0.00 H new ATOM 0 HE ARG A 77 16.034 -3.387 -2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.964 -5.265 -5.558 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.373 -6.236 -5.116 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.844 -4.636 -2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.433 -5.881 -3.117 1.00 0.00 H new ATOM 1138 N LEU A 78 10.107 -3.156 -3.723 1.00 0.00 N ATOM 1139 CA LEU A 78 9.249 -2.058 -4.156 1.00 0.00 C ATOM 1140 C LEU A 78 9.811 -1.388 -5.405 1.00 0.00 C ATOM 1141 O LEU A 78 9.125 -1.268 -6.419 1.00 0.00 O ATOM 1142 CB LEU A 78 9.099 -1.029 -3.034 1.00 0.00 C ATOM 1143 CG LEU A 78 8.215 0.179 -3.345 1.00 0.00 C ATOM 1144 CD1 LEU A 78 6.800 -0.267 -3.678 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.208 1.150 -2.173 1.00 0.00 C ATOM 0 H LEU A 78 10.346 -3.139 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 78 8.269 -2.469 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.694 -1.534 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.091 -0.668 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 78 8.626 0.692 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.185 0.606 -3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.821 -0.923 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.378 -0.804 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.574 2.004 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.821 0.647 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.224 1.495 -1.980 1.00 0.00 H new ATOM 1157 N ALA A 79 11.065 -0.954 -5.324 1.00 0.00 N ATOM 1158 CA ALA A 79 11.721 -0.299 -6.449 1.00 0.00 C ATOM 1159 C ALA A 79 11.471 -1.059 -7.748 1.00 0.00 C ATOM 1160 O ALA A 79 11.012 -0.484 -8.734 1.00 0.00 O ATOM 1161 CB ALA A 79 13.214 -0.172 -6.188 1.00 0.00 C ATOM 0 H ALA A 79 11.647 -1.044 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 79 11.296 0.699 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.691 0.319 -7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.377 0.420 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.645 -1.164 -6.053 1.00 0.00 H new ATOM 1167 N GLN A 80 11.777 -2.352 -7.739 1.00 0.00 N ATOM 1168 CA GLN A 80 11.587 -3.189 -8.918 1.00 0.00 C ATOM 1169 C GLN A 80 10.107 -3.312 -9.266 1.00 0.00 C ATOM 1170 O GLN A 80 9.733 -3.312 -10.438 1.00 0.00 O ATOM 1171 CB GLN A 80 12.185 -4.578 -8.685 1.00 0.00 C ATOM 1172 CG GLN A 80 13.592 -4.545 -8.109 1.00 0.00 C ATOM 1173 CD GLN A 80 14.662 -4.546 -9.183 1.00 0.00 C ATOM 1174 OE1 GLN A 80 15.478 -5.465 -9.262 1.00 0.00 O ATOM 1175 NE2 GLN A 80 14.665 -3.513 -10.017 1.00 0.00 N ATOM 0 H GLN A 80 12.157 -2.843 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 80 12.100 -2.715 -9.755 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.537 -5.135 -8.008 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.201 -5.121 -9.630 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.706 -3.656 -7.489 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.735 -5.408 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.970 -2.773 -9.915 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.362 -3.459 -10.760 1.00 0.00 H new ATOM 1184 N ALA A 81 9.270 -3.417 -8.239 1.00 0.00 N ATOM 1185 CA ALA A 81 7.831 -3.539 -8.436 1.00 0.00 C ATOM 1186 C ALA A 81 7.283 -2.355 -9.227 1.00 0.00 C ATOM 1187 O ALA A 81 6.841 -2.509 -10.365 1.00 0.00 O ATOM 1188 CB ALA A 81 7.122 -3.653 -7.095 1.00 0.00 C ATOM 0 H ALA A 81 9.564 -3.420 -7.262 1.00 0.00 H new ATOM 0 HA ALA A 81 7.644 -4.446 -9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.048 -3.743 -7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.484 -4.534 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.325 -2.763 -6.499 1.00 0.00 H new ATOM 1194 N ARG A 82 7.315 -1.176 -8.615 1.00 0.00 N ATOM 1195 CA ARG A 82 6.819 0.034 -9.262 1.00 0.00 C ATOM 1196 C ARG A 82 7.351 0.144 -10.688 1.00 0.00 C ATOM 1197 O ARG A 82 6.759 0.818 -11.531 1.00 0.00 O ATOM 1198 CB ARG A 82 7.225 1.270 -8.458 1.00 0.00 C ATOM 1199 CG ARG A 82 8.603 1.804 -8.814 1.00 0.00 C ATOM 1200 CD ARG A 82 9.122 2.761 -7.753 1.00 0.00 C ATOM 1201 NE ARG A 82 10.581 2.829 -7.743 1.00 0.00 N ATOM 1202 CZ ARG A 82 11.273 3.639 -6.950 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.643 4.446 -6.107 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.599 3.643 -6.999 1.00 0.00 N ATOM 0 H ARG A 82 7.679 -1.032 -7.673 1.00 0.00 H new ATOM 0 HA ARG A 82 5.731 -0.024 -9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.487 2.056 -8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.203 1.025 -7.396 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.299 0.972 -8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.559 2.315 -9.776 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.714 3.756 -7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.767 2.442 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 82 11.096 2.221 -8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.624 4.446 -6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.178 5.067 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.087 3.024 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.130 4.265 -6.390 1.00 0.00 H new ATOM 1218 N ALA A 83 8.471 -0.522 -10.950 1.00 0.00 N ATOM 1219 CA ALA A 83 9.081 -0.499 -12.274 1.00 0.00 C ATOM 1220 C ALA A 83 8.386 -1.478 -13.215 1.00 0.00 C ATOM 1221 O ALA A 83 8.281 -1.231 -14.417 1.00 0.00 O ATOM 1222 CB ALA A 83 10.565 -0.820 -12.176 1.00 0.00 C ATOM 0 H ALA A 83 8.974 -1.084 -10.263 1.00 0.00 H new ATOM 0 HA ALA A 83 8.964 0.504 -12.685 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.008 -0.799 -13.172 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.056 -0.080 -11.545 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.695 -1.811 -11.741 1.00 0.00 H new ATOM 1228 N LEU A 84 7.915 -2.590 -12.661 1.00 0.00 N ATOM 1229 CA LEU A 84 7.231 -3.607 -13.452 1.00 0.00 C ATOM 1230 C LEU A 84 5.859 -3.116 -13.902 1.00 0.00 C ATOM 1231 O LEU A 84 5.291 -3.628 -14.867 1.00 0.00 O ATOM 1232 CB LEU A 84 7.083 -4.896 -12.642 1.00 0.00 C ATOM 1233 CG LEU A 84 8.227 -5.903 -12.767 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.374 -6.706 -11.484 1.00 0.00 C ATOM 1235 CD2 LEU A 84 7.998 -6.827 -13.954 1.00 0.00 C ATOM 0 H LEU A 84 7.994 -2.810 -11.668 1.00 0.00 H new ATOM 0 HA LEU A 84 7.833 -3.808 -14.338 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.973 -4.630 -11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.158 -5.387 -12.945 1.00 0.00 H new ATOM 0 HG LEU A 84 9.153 -5.353 -12.935 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.193 -7.417 -11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.586 -6.031 -10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.448 -7.246 -11.285 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.822 -7.537 -14.027 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.063 -7.370 -13.817 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.945 -6.237 -14.869 1.00 0.00 H new ATOM 1247 N ILE A 85 5.333 -2.119 -13.198 1.00 0.00 N ATOM 1248 CA ILE A 85 4.030 -1.556 -13.527 1.00 0.00 C ATOM 1249 C ILE A 85 4.159 -0.115 -14.010 1.00 0.00 C ATOM 1250 O ILE A 85 3.288 0.395 -14.715 1.00 0.00 O ATOM 1251 CB ILE A 85 3.077 -1.597 -12.318 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.860 -1.407 -11.017 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.308 -2.909 -12.293 1.00 0.00 C ATOM 1254 CD1 ILE A 85 3.022 -1.599 -9.773 1.00 0.00 C ATOM 0 H ILE A 85 5.790 -1.685 -12.396 1.00 0.00 H new ATOM 0 HA ILE A 85 3.615 -2.169 -14.327 1.00 0.00 H new ATOM 0 HB ILE A 85 2.361 -0.781 -12.411 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.692 -2.111 -10.997 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.290 -0.405 -11.004 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.639 -2.922 -11.433 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.724 -3.006 -13.208 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.009 -3.740 -12.220 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.643 -1.449 -8.890 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.205 -0.877 -9.769 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.613 -2.609 -9.762 1.00 0.00 H new ATOM 1266 N LYS A 86 5.252 0.535 -13.627 1.00 0.00 N ATOM 1267 CA LYS A 86 5.499 1.916 -14.023 1.00 0.00 C ATOM 1268 C LYS A 86 4.427 2.844 -13.460 1.00 0.00 C ATOM 1269 O LYS A 86 4.064 3.840 -14.086 1.00 0.00 O ATOM 1270 CB LYS A 86 5.538 2.032 -15.549 1.00 0.00 C ATOM 1271 CG LYS A 86 6.912 1.775 -16.143 1.00 0.00 C ATOM 1272 CD LYS A 86 7.785 3.017 -16.089 1.00 0.00 C ATOM 1273 CE LYS A 86 7.379 4.031 -17.147 1.00 0.00 C ATOM 1274 NZ LYS A 86 8.038 3.763 -18.455 1.00 0.00 N ATOM 0 H LYS A 86 5.982 0.127 -13.042 1.00 0.00 H new ATOM 0 HA LYS A 86 6.465 2.216 -13.617 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.828 1.324 -15.977 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.207 3.030 -15.838 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.398 0.964 -15.600 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.807 1.448 -17.177 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.712 3.472 -15.101 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.828 2.736 -16.234 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.297 4.009 -17.275 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.640 5.034 -16.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.735 4.476 -19.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.071 3.809 -18.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.769 2.816 -18.792 1.00 0.00 H new ATOM 1288 N ILE A 87 3.927 2.511 -12.275 1.00 0.00 N ATOM 1289 CA ILE A 87 2.899 3.316 -11.627 1.00 0.00 C ATOM 1290 C ILE A 87 3.437 3.984 -10.366 1.00 0.00 C ATOM 1291 O ILE A 87 4.473 3.585 -9.834 1.00 0.00 O ATOM 1292 CB ILE A 87 1.668 2.467 -11.259 1.00 0.00 C ATOM 1293 CG1 ILE A 87 2.024 1.461 -10.162 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.132 1.750 -12.489 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.846 1.061 -9.302 1.00 0.00 C ATOM 0 H ILE A 87 4.217 1.690 -11.744 1.00 0.00 H new ATOM 0 HA ILE A 87 2.601 4.082 -12.342 1.00 0.00 H new ATOM 0 HB ILE A 87 0.889 3.129 -10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.447 0.568 -10.623 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.799 1.889 -9.526 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.262 1.154 -12.213 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.845 2.484 -13.242 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.905 1.097 -12.895 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.173 0.346 -8.547 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.436 1.945 -8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.079 0.603 -9.926 1.00 0.00 H new ATOM 1307 N ASP A 88 2.726 5.001 -9.892 1.00 0.00 N ATOM 1308 CA ASP A 88 3.130 5.723 -8.692 1.00 0.00 C ATOM 1309 C ASP A 88 3.522 4.754 -7.581 1.00 0.00 C ATOM 1310 O ASP A 88 2.716 3.929 -7.149 1.00 0.00 O ATOM 1311 CB ASP A 88 1.999 6.635 -8.214 1.00 0.00 C ATOM 1312 CG ASP A 88 2.513 7.866 -7.494 1.00 0.00 C ATOM 1313 OD1 ASP A 88 3.213 7.707 -6.472 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.216 8.989 -7.954 1.00 0.00 O ATOM 0 H ASP A 88 1.867 5.344 -10.321 1.00 0.00 H new ATOM 0 HA ASP A 88 3.998 6.334 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.398 6.943 -9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.342 6.076 -7.548 1.00 0.00 H new ATOM 1319 N VAL A 89 4.765 4.858 -7.123 1.00 0.00 N ATOM 1320 CA VAL A 89 5.265 3.991 -6.062 1.00 0.00 C ATOM 1321 C VAL A 89 4.339 4.016 -4.851 1.00 0.00 C ATOM 1322 O VAL A 89 4.154 3.003 -4.178 1.00 0.00 O ATOM 1323 CB VAL A 89 6.681 4.404 -5.620 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.700 5.859 -5.178 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.178 3.494 -4.507 1.00 0.00 C ATOM 0 H VAL A 89 5.445 5.534 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 89 5.300 2.980 -6.469 1.00 0.00 H new ATOM 0 HB VAL A 89 7.353 4.299 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.709 6.132 -4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.389 6.495 -6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.015 5.994 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.180 3.800 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.506 3.564 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.205 2.464 -4.864 1.00 0.00 H new ATOM 1335 N ASN A 90 3.759 5.181 -4.580 1.00 0.00 N ATOM 1336 CA ASN A 90 2.851 5.338 -3.449 1.00 0.00 C ATOM 1337 C ASN A 90 1.681 4.364 -3.551 1.00 0.00 C ATOM 1338 O ASN A 90 1.027 4.055 -2.555 1.00 0.00 O ATOM 1339 CB ASN A 90 2.330 6.774 -3.382 1.00 0.00 C ATOM 1340 CG ASN A 90 3.320 7.719 -2.730 1.00 0.00 C ATOM 1341 OD1 ASN A 90 3.086 8.218 -1.629 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.434 7.969 -3.408 1.00 0.00 N ATOM 0 H ASN A 90 3.901 6.030 -5.128 1.00 0.00 H new ATOM 0 HA ASN A 90 3.405 5.117 -2.537 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.108 7.124 -4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.394 6.792 -2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.138 8.597 -3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.586 7.533 -4.318 1.00 0.00 H new ATOM 1349 N LYS A 91 1.422 3.884 -4.763 1.00 0.00 N ATOM 1350 CA LYS A 91 0.333 2.944 -4.998 1.00 0.00 C ATOM 1351 C LYS A 91 0.765 1.518 -4.673 1.00 0.00 C ATOM 1352 O LYS A 91 0.292 0.919 -3.707 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.136 3.028 -6.452 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.910 4.295 -6.770 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.444 4.281 -8.192 1.00 0.00 C ATOM 1356 CE LYS A 91 -2.802 3.602 -8.271 1.00 0.00 C ATOM 1357 NZ LYS A 91 -3.440 3.789 -9.604 1.00 0.00 N ATOM 0 H LYS A 91 1.952 4.131 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.494 3.213 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.732 2.968 -7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.763 2.164 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.739 4.401 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.263 5.162 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.525 5.303 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.739 3.763 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.688 2.537 -8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.455 4.005 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.364 3.311 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.573 4.804 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.830 3.382 -10.341 1.00 0.00 H new ATOM 1371 N THR A 92 1.668 0.978 -5.486 1.00 0.00 N ATOM 1372 CA THR A 92 2.164 -0.377 -5.285 1.00 0.00 C ATOM 1373 C THR A 92 2.563 -0.607 -3.832 1.00 0.00 C ATOM 1374 O THR A 92 2.362 -1.692 -3.287 1.00 0.00 O ATOM 1375 CB THR A 92 3.375 -0.672 -6.191 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.104 -1.796 -5.684 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.294 0.537 -6.277 1.00 0.00 C ATOM 0 H THR A 92 2.071 1.459 -6.290 1.00 0.00 H new ATOM 0 HA THR A 92 1.350 -1.053 -5.547 1.00 0.00 H new ATOM 0 HB THR A 92 3.005 -0.900 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.871 -1.978 -6.266 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.141 0.305 -6.922 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.745 1.383 -6.690 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.655 0.791 -5.280 1.00 0.00 H new ATOM 1385 N ARG A 93 3.129 0.422 -3.209 1.00 0.00 N ATOM 1386 CA ARG A 93 3.557 0.331 -1.818 1.00 0.00 C ATOM 1387 C ARG A 93 2.535 -0.435 -0.984 1.00 0.00 C ATOM 1388 O ARG A 93 2.894 -1.173 -0.066 1.00 0.00 O ATOM 1389 CB ARG A 93 3.763 1.730 -1.234 1.00 0.00 C ATOM 1390 CG ARG A 93 5.175 2.264 -1.415 1.00 0.00 C ATOM 1391 CD ARG A 93 5.335 3.639 -0.785 1.00 0.00 C ATOM 1392 NE ARG A 93 6.578 4.287 -1.195 1.00 0.00 N ATOM 1393 CZ ARG A 93 7.781 3.888 -0.796 1.00 0.00 C ATOM 1394 NH1 ARG A 93 7.902 2.849 0.019 1.00 0.00 N ATOM 1395 NH2 ARG A 93 8.865 4.529 -1.212 1.00 0.00 N ATOM 0 H ARG A 93 3.302 1.328 -3.645 1.00 0.00 H new ATOM 0 HA ARG A 93 4.503 -0.210 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.060 2.418 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.525 1.709 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.887 1.572 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.411 2.320 -2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.489 4.267 -1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.316 3.545 0.301 1.00 0.00 H new ATOM 0 HE ARG A 93 6.519 5.090 -1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.070 2.354 0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.827 2.545 0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.776 5.329 -1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.788 4.222 -0.905 1.00 0.00 H new ATOM 1409 N LYS A 94 1.259 -0.254 -1.308 1.00 0.00 N ATOM 1410 CA LYS A 94 0.184 -0.928 -0.590 1.00 0.00 C ATOM 1411 C LYS A 94 -0.015 -2.347 -1.114 1.00 0.00 C ATOM 1412 O LYS A 94 -0.328 -3.262 -0.352 1.00 0.00 O ATOM 1413 CB LYS A 94 -1.120 -0.137 -0.723 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.976 1.335 -0.377 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.210 1.584 1.104 1.00 0.00 C ATOM 1416 CE LYS A 94 -1.016 3.050 1.460 1.00 0.00 C ATOM 1417 NZ LYS A 94 -0.623 3.228 2.885 1.00 0.00 N ATOM 0 H LYS A 94 0.944 0.354 -2.064 1.00 0.00 H new ATOM 0 HA LYS A 94 0.463 -0.984 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.487 -0.227 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.873 -0.582 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.021 1.679 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.687 1.919 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.220 1.274 1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.524 0.972 1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.250 3.482 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.940 3.596 1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.501 4.241 3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.365 2.839 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.272 2.729 3.063 1.00 0.00 H new ATOM 1431 N ILE A 95 0.172 -2.523 -2.418 1.00 0.00 N ATOM 1432 CA ILE A 95 0.016 -3.831 -3.042 1.00 0.00 C ATOM 1433 C ILE A 95 1.182 -4.749 -2.692 1.00 0.00 C ATOM 1434 O ILE A 95 1.006 -5.764 -2.018 1.00 0.00 O ATOM 1435 CB ILE A 95 -0.091 -3.715 -4.574 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -1.136 -2.665 -4.956 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.439 -5.064 -5.184 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.092 -2.273 -6.417 1.00 0.00 C ATOM 0 H ILE A 95 0.432 -1.776 -3.063 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.909 -4.258 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 95 0.875 -3.399 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.128 -3.049 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.986 -1.775 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.511 -4.966 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.338 -5.787 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.394 -5.408 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.860 -1.526 -6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.112 -1.858 -6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.272 -3.152 -7.035 1.00 0.00 H new ATOM 1450 N TYR A 96 2.373 -4.385 -3.154 1.00 0.00 N ATOM 1451 CA TYR A 96 3.569 -5.176 -2.890 1.00 0.00 C ATOM 1452 C TYR A 96 3.541 -5.753 -1.478 1.00 0.00 C ATOM 1453 O TYR A 96 3.507 -6.970 -1.293 1.00 0.00 O ATOM 1454 CB TYR A 96 4.824 -4.321 -3.079 1.00 0.00 C ATOM 1455 CG TYR A 96 6.091 -4.990 -2.598 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.727 -5.954 -3.370 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.653 -4.658 -1.371 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.885 -6.569 -2.934 1.00 0.00 C ATOM 1459 CE2 TYR A 96 7.811 -5.267 -0.927 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.423 -6.222 -1.712 1.00 0.00 C ATOM 1461 OH TYR A 96 9.576 -6.831 -1.274 1.00 0.00 O ATOM 0 H TYR A 96 2.536 -3.548 -3.713 1.00 0.00 H new ATOM 0 HA TYR A 96 3.590 -6.003 -3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.931 -4.077 -4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.695 -3.379 -2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.309 -6.228 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.176 -3.911 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.366 -7.317 -3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.235 -4.997 0.029 1.00 0.00 H new ATOM 0 HH TYR A 96 10.033 -7.251 -2.033 1.00 0.00 H new ATOM 1471 N ASP A 97 3.555 -4.870 -0.486 1.00 0.00 N ATOM 1472 CA ASP A 97 3.529 -5.290 0.911 1.00 0.00 C ATOM 1473 C ASP A 97 2.529 -6.422 1.120 1.00 0.00 C ATOM 1474 O ASP A 97 2.871 -7.477 1.656 1.00 0.00 O ATOM 1475 CB ASP A 97 3.177 -4.108 1.815 1.00 0.00 C ATOM 1476 CG ASP A 97 3.673 -4.296 3.234 1.00 0.00 C ATOM 1477 OD1 ASP A 97 2.972 -4.961 4.025 1.00 0.00 O ATOM 1478 OD2 ASP A 97 4.763 -3.777 3.556 1.00 0.00 O ATOM 0 H ASP A 97 3.584 -3.860 -0.622 1.00 0.00 H new ATOM 0 HA ASP A 97 4.522 -5.654 1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.608 -3.197 1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.095 -3.973 1.826 1.00 0.00 H new ATOM 1483 N PHE A 98 1.290 -6.196 0.694 1.00 0.00 N ATOM 1484 CA PHE A 98 0.238 -7.197 0.836 1.00 0.00 C ATOM 1485 C PHE A 98 0.659 -8.521 0.206 1.00 0.00 C ATOM 1486 O PHE A 98 0.354 -9.595 0.727 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.057 -6.700 0.191 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.082 -7.781 -0.003 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -2.886 -8.189 1.050 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.243 -8.389 -1.237 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -3.830 -9.182 0.875 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.186 -9.383 -1.418 1.00 0.00 C ATOM 1493 CZ PHE A 98 -3.980 -9.781 -0.360 1.00 0.00 C ATOM 0 H PHE A 98 0.990 -5.329 0.248 1.00 0.00 H new ATOM 0 HA PHE A 98 0.066 -7.360 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.484 -5.912 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.824 -6.253 -0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.773 -7.725 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.624 -8.083 -2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.450 -9.490 1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.302 -9.848 -2.386 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.716 -10.559 -0.498 1.00 0.00 H new ATOM 1503 N LEU A 99 1.360 -8.438 -0.919 1.00 0.00 N ATOM 1504 CA LEU A 99 1.823 -9.629 -1.622 1.00 0.00 C ATOM 1505 C LEU A 99 2.908 -10.346 -0.824 1.00 0.00 C ATOM 1506 O LEU A 99 2.938 -11.575 -0.765 1.00 0.00 O ATOM 1507 CB LEU A 99 2.356 -9.254 -3.006 1.00 0.00 C ATOM 1508 CG LEU A 99 1.385 -8.504 -3.919 1.00 0.00 C ATOM 1509 CD1 LEU A 99 1.999 -8.295 -5.294 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.068 -9.258 -4.030 1.00 0.00 C ATOM 0 H LEU A 99 1.620 -7.558 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 99 0.976 -10.305 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.248 -8.641 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.668 -10.167 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 99 1.185 -7.526 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.294 -7.760 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.916 -7.713 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.229 -9.262 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.611 -8.710 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.250 -10.249 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.380 -9.356 -3.041 1.00 0.00 H new ATOM 1522 N ILE A 100 3.794 -9.569 -0.211 1.00 0.00 N ATOM 1523 CA ILE A 100 4.878 -10.130 0.587 1.00 0.00 C ATOM 1524 C ILE A 100 4.335 -10.936 1.762 1.00 0.00 C ATOM 1525 O ILE A 100 4.891 -11.972 2.127 1.00 0.00 O ATOM 1526 CB ILE A 100 5.812 -9.028 1.121 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.588 -8.384 -0.029 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.767 -9.601 2.157 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.713 -9.247 -0.557 1.00 0.00 C ATOM 0 H ILE A 100 3.783 -8.550 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 100 5.446 -10.789 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 100 5.206 -8.259 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.898 -8.163 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.999 -7.432 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.421 -8.811 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.196 -10.016 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.369 -10.387 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.219 -8.727 -1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.425 -9.447 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.307 -10.189 -0.926 1.00 0.00 H new ATOM 1541 N ARG A 101 3.245 -10.453 2.350 1.00 0.00 N ATOM 1542 CA ARG A 101 2.627 -11.129 3.484 1.00 0.00 C ATOM 1543 C ARG A 101 1.867 -12.371 3.029 1.00 0.00 C ATOM 1544 O ARG A 101 2.068 -13.463 3.560 1.00 0.00 O ATOM 1545 CB ARG A 101 1.678 -10.178 4.217 1.00 0.00 C ATOM 1546 CG ARG A 101 2.270 -8.800 4.466 1.00 0.00 C ATOM 1547 CD ARG A 101 1.184 -7.754 4.661 1.00 0.00 C ATOM 1548 NE ARG A 101 0.461 -7.944 5.916 1.00 0.00 N ATOM 1549 CZ ARG A 101 0.946 -7.598 7.103 1.00 0.00 C ATOM 1550 NH1 ARG A 101 2.149 -7.048 7.197 1.00 0.00 N ATOM 1551 NH2 ARG A 101 0.228 -7.803 8.200 1.00 0.00 N ATOM 0 H ARG A 101 2.772 -9.597 2.060 1.00 0.00 H new ATOM 0 HA ARG A 101 3.419 -11.438 4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.763 -10.071 3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.398 -10.622 5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.909 -8.831 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.902 -8.517 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.631 -6.760 4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.483 -7.800 3.828 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.467 -8.365 5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.704 -6.890 6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.519 -6.783 8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.697 -8.227 8.132 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.601 -7.537 9.111 1.00 0.00 H new ATOM 1565 N GLU A 102 0.993 -12.196 2.042 1.00 0.00 N ATOM 1566 CA GLU A 102 0.203 -13.303 1.516 1.00 0.00 C ATOM 1567 C GLU A 102 1.105 -14.440 1.046 1.00 0.00 C ATOM 1568 O GLU A 102 0.690 -15.598 1.001 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.679 -12.825 0.360 1.00 0.00 C ATOM 1570 CG GLU A 102 -2.042 -12.320 0.803 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.923 -13.425 1.352 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -2.724 -13.820 2.519 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -3.814 -13.895 0.612 1.00 0.00 O ATOM 0 H GLU A 102 0.815 -11.299 1.591 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.433 -13.676 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.162 -12.028 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.816 -13.645 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.911 -11.552 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.543 -11.847 -0.042 1.00 0.00 H new ATOM 1580 N GLY A 103 2.342 -14.101 0.696 1.00 0.00 N ATOM 1581 CA GLY A 103 3.283 -15.104 0.234 1.00 0.00 C ATOM 1582 C GLY A 103 3.342 -15.191 -1.278 1.00 0.00 C ATOM 1583 O GLY A 103 3.731 -16.218 -1.834 1.00 0.00 O ATOM 0 H GLY A 103 2.709 -13.150 0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.275 -14.872 0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.002 -16.076 0.640 1.00 0.00 H new ATOM 1587 N TYR A 104 2.952 -14.111 -1.947 1.00 0.00 N ATOM 1588 CA TYR A 104 2.958 -14.070 -3.404 1.00 0.00 C ATOM 1589 C TYR A 104 4.365 -13.818 -3.937 1.00 0.00 C ATOM 1590 O TYR A 104 4.723 -14.283 -5.019 1.00 0.00 O ATOM 1591 CB TYR A 104 2.007 -12.984 -3.909 1.00 0.00 C ATOM 1592 CG TYR A 104 0.560 -13.421 -3.961 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.113 -14.292 -4.947 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.359 -12.963 -3.025 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -1.208 -14.694 -4.999 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.681 -13.361 -3.068 1.00 0.00 C ATOM 1597 CZ TYR A 104 -2.101 -14.226 -4.057 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.417 -14.624 -4.105 1.00 0.00 O ATOM 0 H TYR A 104 2.628 -13.252 -1.503 1.00 0.00 H new ATOM 0 HA TYR A 104 2.619 -15.039 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.091 -12.110 -3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.320 -12.674 -4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.810 -14.661 -5.685 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.034 -12.284 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.540 -15.371 -5.773 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.382 -12.997 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.912 -14.205 -3.370 1.00 0.00 H new ATOM 1608 N ILE A 105 5.158 -13.079 -3.168 1.00 0.00 N ATOM 1609 CA ILE A 105 6.526 -12.766 -3.560 1.00 0.00 C ATOM 1610 C ILE A 105 7.440 -12.676 -2.343 1.00 0.00 C ATOM 1611 O ILE A 105 6.974 -12.617 -1.205 1.00 0.00 O ATOM 1612 CB ILE A 105 6.598 -11.441 -4.342 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.789 -10.357 -3.627 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.092 -11.636 -5.763 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.798 -9.025 -4.343 1.00 0.00 C ATOM 0 H ILE A 105 4.876 -12.686 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 105 6.863 -13.578 -4.205 1.00 0.00 H new ATOM 0 HB ILE A 105 7.639 -11.120 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.758 -10.696 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.187 -10.222 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.149 -10.691 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.707 -12.380 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.057 -11.977 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.205 -8.305 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.823 -8.664 -4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.373 -9.145 -5.339 1.00 0.00 H new ATOM 1627 N THR A 106 8.746 -12.664 -2.590 1.00 0.00 N ATOM 1628 CA THR A 106 9.727 -12.579 -1.515 1.00 0.00 C ATOM 1629 C THR A 106 10.393 -11.209 -1.485 1.00 0.00 C ATOM 1630 O THR A 106 10.507 -10.539 -2.512 1.00 0.00 O ATOM 1631 CB THR A 106 10.812 -13.663 -1.659 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.243 -14.858 -2.204 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.453 -13.969 -0.314 1.00 0.00 C ATOM 0 H THR A 106 9.149 -12.712 -3.526 1.00 0.00 H new ATOM 0 HA THR A 106 9.188 -12.737 -0.581 1.00 0.00 H new ATOM 0 HB THR A 106 11.581 -13.287 -2.334 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.940 -15.541 -2.294 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.216 -14.737 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.912 -13.064 0.085 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.691 -14.325 0.379 1.00 0.00 H new ATOM 1641 N LYS A 107 10.834 -10.796 -0.301 1.00 0.00 N ATOM 1642 CA LYS A 107 11.492 -9.506 -0.136 1.00 0.00 C ATOM 1643 C LYS A 107 12.988 -9.619 -0.411 1.00 0.00 C ATOM 1644 O LYS A 107 13.677 -10.448 0.183 1.00 0.00 O ATOM 1645 CB LYS A 107 11.261 -8.969 1.278 1.00 0.00 C ATOM 1646 CG LYS A 107 11.367 -7.458 1.381 1.00 0.00 C ATOM 1647 CD LYS A 107 10.483 -6.911 2.489 1.00 0.00 C ATOM 1648 CE LYS A 107 10.902 -7.443 3.850 1.00 0.00 C ATOM 1649 NZ LYS A 107 10.422 -6.572 4.959 1.00 0.00 N ATOM 0 H LYS A 107 10.747 -11.337 0.559 1.00 0.00 H new ATOM 0 HA LYS A 107 11.060 -8.811 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.273 -9.279 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.987 -9.422 1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.403 -7.177 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.082 -7.007 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.533 -5.822 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.445 -7.182 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.508 -8.450 3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.989 -7.518 3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.728 -6.969 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.818 -5.617 4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.384 -6.521 4.936 1.00 0.00 H new ATOM 1663 N ALA A 108 13.484 -8.779 -1.314 1.00 0.00 N ATOM 1664 CA ALA A 108 14.899 -8.782 -1.664 1.00 0.00 C ATOM 1665 C ALA A 108 15.748 -8.225 -0.526 1.00 0.00 C ATOM 1666 O ALA A 108 15.578 -7.075 -0.118 1.00 0.00 O ATOM 1667 CB ALA A 108 15.130 -7.983 -2.937 1.00 0.00 C ATOM 0 H ALA A 108 12.927 -8.088 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 108 15.202 -9.815 -1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 108 16.191 -7.994 -3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.561 -8.427 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.804 -6.954 -2.785 1.00 0.00 H new TER 1673 ALA A 108