USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 GLN :FLIP amide:sc= -0.569 F(o=-8.3,f=-7.2) USER MOD Set 1.2: A 117 HIS :FLIP no HD1:sc= -6.66! C(o=-8.3!,f=-7.2!) USER MOD Set 2.1: A 46 MET CE :methyl 166:sc= -7.06! (180deg=-6.6!) USER MOD Set 2.2: A 48 MET CE :methyl -146:sc= -3.81 (180deg=-8.1!) USER MOD Set 3.1: A 18 GLN : amide:sc= -0.104 K(o=-0.098,f=-1.1) USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.00606 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -111:sc=-0.00141 (180deg=-0.0834) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot -100:sc= -1.17 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 150:sc= -1.34 USER MOD Single : A 24 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.358 F(o=-1,f=-0.36) USER MOD Single : A 36 ASN : amide:sc= -2.04! C(o=-2!,f=-12!) USER MOD Single : A 44 GLN : amide:sc= -0.0313 X(o=-0.031,f=-0.33) USER MOD Single : A 47 MET CE :methyl -174:sc=-0.00447 (180deg=-0.0692) USER MOD Single : A 50 SER OG : rot 100:sc= -1.51 USER MOD Single : A 52 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.11) USER MOD Single : A 60 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2) USER MOD Single : A 65 ASN : amide:sc= -1.71 K(o=-1.7,f=-6.6!) USER MOD Single : A 66 CYS SG : rot 171:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.52 USER MOD Single : A 77 HIS :FLIP no HE2:sc= -4.7! C(o=-5.5!,f=-4.7!) USER MOD Single : A 87 THR OG1 : rot 84:sc= 1.16 USER MOD Single : A 92 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.26) USER MOD Single : A 101 CYS SG : rot -174:sc= -4.47! USER MOD Single : A 123 TYR OH : rot 170:sc= 1.1 USER MOD Single : A 125 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-4.2!) USER MOD Single : A 128 THR OG1 : rot -41:sc= 0.197 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 81.898 -0.116 -19.502 1.00 0.00 N ATOM 2 CA GLY A -5 83.088 -0.916 -19.100 1.00 0.00 C ATOM 3 C GLY A -5 84.317 -0.007 -19.035 1.00 0.00 C ATOM 4 O GLY A -5 84.962 0.252 -20.033 1.00 0.00 O ATOM 0 H1 GLY A -5 81.063 -0.734 -19.546 1.00 0.00 H new ATOM 0 H2 GLY A -5 81.734 0.638 -18.804 1.00 0.00 H new ATOM 0 H3 GLY A -5 82.064 0.308 -20.437 1.00 0.00 H new ATOM 0 HA2 GLY A -5 82.915 -1.382 -18.130 1.00 0.00 H new ATOM 0 HA3 GLY A -5 83.256 -1.722 -19.815 1.00 0.00 H new ATOM 10 N SER A -4 84.646 0.480 -17.866 1.00 0.00 N ATOM 11 CA SER A -4 85.835 1.378 -17.724 1.00 0.00 C ATOM 12 C SER A -4 85.634 2.658 -18.546 1.00 0.00 C ATOM 13 O SER A -4 84.929 2.654 -19.535 1.00 0.00 O ATOM 14 CB SER A -4 87.019 0.570 -18.261 1.00 0.00 C ATOM 15 OG SER A -4 88.207 0.972 -17.592 1.00 0.00 O ATOM 0 H SER A -4 84.141 0.294 -16.999 1.00 0.00 H new ATOM 0 HA SER A -4 85.995 1.687 -16.691 1.00 0.00 H new ATOM 0 HB2 SER A -4 86.845 -0.495 -18.109 1.00 0.00 H new ATOM 0 HB3 SER A -4 87.123 0.726 -19.335 1.00 0.00 H new ATOM 0 HG SER A -4 88.710 1.591 -18.161 1.00 0.00 H new ATOM 21 N PRO A -3 86.264 3.720 -18.107 1.00 0.00 N ATOM 22 CA PRO A -3 86.146 5.020 -18.815 1.00 0.00 C ATOM 23 C PRO A -3 86.933 4.990 -20.128 1.00 0.00 C ATOM 24 O PRO A -3 87.819 4.179 -20.313 1.00 0.00 O ATOM 25 CB PRO A -3 86.767 6.017 -17.839 1.00 0.00 C ATOM 26 CG PRO A -3 87.702 5.206 -17.001 1.00 0.00 C ATOM 27 CD PRO A -3 87.133 3.814 -16.926 1.00 0.00 C ATOM 0 HA PRO A -3 85.118 5.269 -19.080 1.00 0.00 H new ATOM 0 HB2 PRO A -3 87.297 6.809 -18.368 1.00 0.00 H new ATOM 0 HB3 PRO A -3 86.004 6.498 -17.227 1.00 0.00 H new ATOM 0 HG2 PRO A -3 88.699 5.192 -17.440 1.00 0.00 H new ATOM 0 HG3 PRO A -3 87.799 5.637 -16.005 1.00 0.00 H new ATOM 0 HD2 PRO A -3 87.920 3.060 -16.948 1.00 0.00 H new ATOM 0 HD3 PRO A -3 86.571 3.662 -16.004 1.00 0.00 H new ATOM 35 N GLY A -2 86.621 5.875 -21.037 1.00 0.00 N ATOM 36 CA GLY A -2 87.355 5.906 -22.334 1.00 0.00 C ATOM 37 C GLY A -2 88.707 6.588 -22.128 1.00 0.00 C ATOM 38 O GLY A -2 88.795 7.797 -22.036 1.00 0.00 O ATOM 0 H GLY A -2 85.889 6.578 -20.937 1.00 0.00 H new ATOM 0 HA2 GLY A -2 87.498 4.893 -22.709 1.00 0.00 H new ATOM 0 HA3 GLY A -2 86.773 6.444 -23.083 1.00 0.00 H new ATOM 42 N ILE A -1 89.762 5.822 -22.045 1.00 0.00 N ATOM 43 CA ILE A -1 91.110 6.425 -21.835 1.00 0.00 C ATOM 44 C ILE A -1 91.675 6.949 -23.166 1.00 0.00 C ATOM 45 O ILE A -1 92.567 7.773 -23.190 1.00 0.00 O ATOM 46 CB ILE A -1 91.962 5.279 -21.264 1.00 0.00 C ATOM 47 CG1 ILE A -1 93.036 5.852 -20.327 1.00 0.00 C ATOM 48 CG2 ILE A -1 92.629 4.485 -22.393 1.00 0.00 C ATOM 49 CD1 ILE A -1 93.968 6.788 -21.101 1.00 0.00 C ATOM 0 H ILE A -1 89.748 4.804 -22.114 1.00 0.00 H new ATOM 0 HA ILE A -1 91.091 7.282 -21.162 1.00 0.00 H new ATOM 0 HB ILE A -1 91.311 4.606 -20.706 1.00 0.00 H new ATOM 0 HG12 ILE A -1 92.563 6.394 -19.508 1.00 0.00 H new ATOM 0 HG13 ILE A -1 93.611 5.040 -19.882 1.00 0.00 H new ATOM 0 HG21 ILE A -1 93.227 3.679 -21.967 1.00 0.00 H new ATOM 0 HG22 ILE A -1 91.863 4.063 -23.043 1.00 0.00 H new ATOM 0 HG23 ILE A -1 93.273 5.147 -22.972 1.00 0.00 H new ATOM 0 HD11 ILE A -1 94.725 7.188 -20.426 1.00 0.00 H new ATOM 0 HD12 ILE A -1 94.454 6.235 -21.904 1.00 0.00 H new ATOM 0 HD13 ILE A -1 93.389 7.609 -21.524 1.00 0.00 H new ATOM 61 N HIS A 0 91.155 6.480 -24.273 1.00 0.00 N ATOM 62 CA HIS A 0 91.652 6.951 -25.603 1.00 0.00 C ATOM 63 C HIS A 0 93.168 6.753 -25.713 1.00 0.00 C ATOM 64 O HIS A 0 93.943 7.564 -25.249 1.00 0.00 O ATOM 65 CB HIS A 0 91.300 8.440 -25.662 1.00 0.00 C ATOM 66 CG HIS A 0 91.704 9.002 -26.998 1.00 0.00 C ATOM 67 ND1 HIS A 0 90.938 8.821 -28.138 1.00 0.00 N ATOM 68 CD2 HIS A 0 92.789 9.747 -27.389 1.00 0.00 C ATOM 69 CE1 HIS A 0 91.566 9.445 -29.151 1.00 0.00 C ATOM 70 NE2 HIS A 0 92.700 10.025 -28.749 1.00 0.00 N ATOM 0 H HIS A 0 90.406 5.789 -24.313 1.00 0.00 H new ATOM 0 HA HIS A 0 91.202 6.394 -26.424 1.00 0.00 H new ATOM 0 HB2 HIS A 0 90.230 8.577 -25.507 1.00 0.00 H new ATOM 0 HB3 HIS A 0 91.809 8.976 -24.861 1.00 0.00 H new ATOM 0 HD2 HIS A 0 93.590 10.068 -26.739 1.00 0.00 H new ATOM 0 HE1 HIS A 0 91.198 9.473 -30.166 1.00 0.00 H new ATOM 0 HE2 HIS A 0 93.359 10.557 -29.317 1.00 0.00 H new ATOM 78 N MET A 1 93.590 5.679 -26.334 1.00 0.00 N ATOM 79 CA MET A 1 95.055 5.411 -26.493 1.00 0.00 C ATOM 80 C MET A 1 95.750 5.343 -25.130 1.00 0.00 C ATOM 81 O MET A 1 95.761 6.296 -24.375 1.00 0.00 O ATOM 82 CB MET A 1 95.598 6.582 -27.315 1.00 0.00 C ATOM 83 CG MET A 1 97.041 6.284 -27.738 1.00 0.00 C ATOM 84 SD MET A 1 98.189 7.169 -26.653 1.00 0.00 S ATOM 85 CE MET A 1 98.016 8.798 -27.423 1.00 0.00 C ATOM 0 H MET A 1 92.979 4.971 -26.741 1.00 0.00 H new ATOM 0 HA MET A 1 95.235 4.453 -26.981 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.975 6.742 -28.195 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.562 7.500 -26.728 1.00 0.00 H new ATOM 0 HG2 MET A 1 97.231 5.212 -27.688 1.00 0.00 H new ATOM 0 HG3 MET A 1 97.197 6.587 -28.773 1.00 0.00 H new ATOM 0 HE1 MET A 1 98.943 9.060 -27.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 97.199 8.774 -28.145 1.00 0.00 H new ATOM 0 HE3 MET A 1 97.801 9.542 -26.656 1.00 0.00 H new ATOM 95 N LEU A 2 96.340 4.221 -24.815 1.00 0.00 N ATOM 96 CA LEU A 2 97.046 4.087 -23.509 1.00 0.00 C ATOM 97 C LEU A 2 98.385 4.829 -23.561 1.00 0.00 C ATOM 98 O LEU A 2 98.868 5.177 -24.620 1.00 0.00 O ATOM 99 CB LEU A 2 97.273 2.583 -23.333 1.00 0.00 C ATOM 100 CG LEU A 2 96.003 1.934 -22.777 1.00 0.00 C ATOM 101 CD1 LEU A 2 95.165 1.383 -23.932 1.00 0.00 C ATOM 102 CD2 LEU A 2 96.384 0.791 -21.835 1.00 0.00 C ATOM 0 H LEU A 2 96.363 3.391 -25.407 1.00 0.00 H new ATOM 0 HA LEU A 2 96.476 4.511 -22.683 1.00 0.00 H new ATOM 0 HB2 LEU A 2 97.536 2.130 -24.289 1.00 0.00 H new ATOM 0 HB3 LEU A 2 98.109 2.408 -22.656 1.00 0.00 H new ATOM 0 HG LEU A 2 95.425 2.679 -22.230 1.00 0.00 H new ATOM 0 HD11 LEU A 2 94.260 0.921 -23.537 1.00 0.00 H new ATOM 0 HD12 LEU A 2 94.893 2.197 -24.604 1.00 0.00 H new ATOM 0 HD13 LEU A 2 95.744 0.639 -24.479 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.480 0.329 -21.439 1.00 0.00 H new ATOM 0 HD22 LEU A 2 96.962 0.046 -22.382 1.00 0.00 H new ATOM 0 HD23 LEU A 2 96.982 1.182 -21.012 1.00 0.00 H new ATOM 114 N GLY A 3 98.987 5.071 -22.428 1.00 0.00 N ATOM 115 CA GLY A 3 100.294 5.790 -22.414 1.00 0.00 C ATOM 116 C GLY A 3 101.330 4.987 -23.206 1.00 0.00 C ATOM 117 O GLY A 3 102.274 5.532 -23.743 1.00 0.00 O ATOM 0 H GLY A 3 98.630 4.802 -21.511 1.00 0.00 H new ATOM 0 HA2 GLY A 3 100.179 6.783 -22.848 1.00 0.00 H new ATOM 0 HA3 GLY A 3 100.633 5.929 -21.388 1.00 0.00 H new ATOM 121 N GLY A 4 101.159 3.694 -23.281 1.00 0.00 N ATOM 122 CA GLY A 4 102.130 2.853 -24.036 1.00 0.00 C ATOM 123 C GLY A 4 102.719 1.793 -23.105 1.00 0.00 C ATOM 124 O GLY A 4 102.040 1.259 -22.250 1.00 0.00 O ATOM 0 H GLY A 4 100.387 3.184 -22.851 1.00 0.00 H new ATOM 0 HA2 GLY A 4 101.634 2.375 -24.881 1.00 0.00 H new ATOM 0 HA3 GLY A 4 102.926 3.476 -24.445 1.00 0.00 H new ATOM 128 N SER A 5 103.978 1.485 -23.264 1.00 0.00 N ATOM 129 CA SER A 5 104.612 0.458 -22.387 1.00 0.00 C ATOM 130 C SER A 5 105.532 1.128 -21.364 1.00 0.00 C ATOM 131 O SER A 5 106.616 0.651 -21.085 1.00 0.00 O ATOM 132 CB SER A 5 105.417 -0.430 -23.335 1.00 0.00 C ATOM 133 OG SER A 5 106.282 0.382 -24.118 1.00 0.00 O ATOM 0 H SER A 5 104.595 1.900 -23.963 1.00 0.00 H new ATOM 0 HA SER A 5 103.876 -0.113 -21.822 1.00 0.00 H new ATOM 0 HB2 SER A 5 105.997 -1.157 -22.766 1.00 0.00 H new ATOM 0 HB3 SER A 5 104.745 -0.994 -23.982 1.00 0.00 H new ATOM 0 HG SER A 5 106.801 -0.185 -24.726 1.00 0.00 H new ATOM 139 N SER A 6 105.110 2.230 -20.800 1.00 0.00 N ATOM 140 CA SER A 6 105.965 2.926 -19.793 1.00 0.00 C ATOM 141 C SER A 6 106.192 2.014 -18.579 1.00 0.00 C ATOM 142 O SER A 6 107.187 1.323 -18.495 1.00 0.00 O ATOM 143 CB SER A 6 105.183 4.183 -19.401 1.00 0.00 C ATOM 144 OG SER A 6 105.071 5.038 -20.531 1.00 0.00 O ATOM 0 H SER A 6 104.213 2.677 -20.992 1.00 0.00 H new ATOM 0 HA SER A 6 106.950 3.178 -20.185 1.00 0.00 H new ATOM 0 HB2 SER A 6 104.192 3.910 -19.037 1.00 0.00 H new ATOM 0 HB3 SER A 6 105.690 4.701 -18.587 1.00 0.00 H new ATOM 0 HG SER A 6 104.569 5.843 -20.284 1.00 0.00 H new ATOM 150 N ASP A 7 105.277 2.004 -17.639 1.00 0.00 N ATOM 151 CA ASP A 7 105.437 1.134 -16.432 1.00 0.00 C ATOM 152 C ASP A 7 106.780 1.412 -15.728 1.00 0.00 C ATOM 153 O ASP A 7 107.219 0.651 -14.888 1.00 0.00 O ATOM 154 CB ASP A 7 105.343 -0.309 -16.979 1.00 0.00 C ATOM 155 CG ASP A 7 106.632 -1.097 -16.712 1.00 0.00 C ATOM 156 OD1 ASP A 7 107.667 -0.697 -17.219 1.00 0.00 O ATOM 157 OD2 ASP A 7 106.560 -2.090 -16.008 1.00 0.00 O ATOM 0 H ASP A 7 104.424 2.563 -17.656 1.00 0.00 H new ATOM 0 HA ASP A 7 104.678 1.319 -15.672 1.00 0.00 H new ATOM 0 HB2 ASP A 7 104.500 -0.821 -16.515 1.00 0.00 H new ATOM 0 HB3 ASP A 7 105.148 -0.281 -18.051 1.00 0.00 H new ATOM 162 N ALA A 8 107.429 2.501 -16.054 1.00 0.00 N ATOM 163 CA ALA A 8 108.732 2.819 -15.397 1.00 0.00 C ATOM 164 C ALA A 8 108.687 4.210 -14.755 1.00 0.00 C ATOM 165 O ALA A 8 109.454 4.511 -13.860 1.00 0.00 O ATOM 166 CB ALA A 8 109.762 2.784 -16.527 1.00 0.00 C ATOM 0 H ALA A 8 107.114 3.182 -16.745 1.00 0.00 H new ATOM 0 HA ALA A 8 108.971 2.115 -14.600 1.00 0.00 H new ATOM 0 HB1 ALA A 8 110.750 3.008 -16.126 1.00 0.00 H new ATOM 0 HB2 ALA A 8 109.771 1.793 -16.981 1.00 0.00 H new ATOM 0 HB3 ALA A 8 109.500 3.526 -17.281 1.00 0.00 H new ATOM 172 N GLY A 9 107.800 5.060 -15.202 1.00 0.00 N ATOM 173 CA GLY A 9 107.711 6.430 -14.616 1.00 0.00 C ATOM 174 C GLY A 9 107.525 6.334 -13.099 1.00 0.00 C ATOM 175 O GLY A 9 107.933 7.206 -12.358 1.00 0.00 O ATOM 0 H GLY A 9 107.133 4.864 -15.948 1.00 0.00 H new ATOM 0 HA2 GLY A 9 108.615 6.993 -14.846 1.00 0.00 H new ATOM 0 HA3 GLY A 9 106.876 6.972 -15.060 1.00 0.00 H new ATOM 179 N LEU A 10 106.910 5.279 -12.634 1.00 0.00 N ATOM 180 CA LEU A 10 106.692 5.122 -11.163 1.00 0.00 C ATOM 181 C LEU A 10 108.027 5.181 -10.412 1.00 0.00 C ATOM 182 O LEU A 10 108.198 5.956 -9.492 1.00 0.00 O ATOM 183 CB LEU A 10 106.046 3.743 -11.005 1.00 0.00 C ATOM 184 CG LEU A 10 105.804 3.449 -9.522 1.00 0.00 C ATOM 185 CD1 LEU A 10 104.790 4.447 -8.960 1.00 0.00 C ATOM 186 CD2 LEU A 10 105.259 2.027 -9.367 1.00 0.00 C ATOM 0 H LEU A 10 106.548 4.518 -13.208 1.00 0.00 H new ATOM 0 HA LEU A 10 106.068 5.916 -10.753 1.00 0.00 H new ATOM 0 HB2 LEU A 10 105.103 3.709 -11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 10 106.691 2.978 -11.436 1.00 0.00 H new ATOM 0 HG LEU A 10 106.743 3.541 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 10 104.619 4.236 -7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 10 105.177 5.460 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 10 103.850 4.357 -9.505 1.00 0.00 H new ATOM 0 HD21 LEU A 10 105.086 1.817 -8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 10 104.320 1.936 -9.914 1.00 0.00 H new ATOM 0 HD23 LEU A 10 105.982 1.315 -9.765 1.00 0.00 H new ATOM 198 N ALA A 11 108.971 4.365 -10.797 1.00 0.00 N ATOM 199 CA ALA A 11 110.293 4.369 -10.103 1.00 0.00 C ATOM 200 C ALA A 11 111.015 5.701 -10.333 1.00 0.00 C ATOM 201 O ALA A 11 111.452 6.348 -9.402 1.00 0.00 O ATOM 202 CB ALA A 11 111.077 3.218 -10.735 1.00 0.00 C ATOM 0 H ALA A 11 108.885 3.696 -11.562 1.00 0.00 H new ATOM 0 HA ALA A 11 110.190 4.250 -9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 11 112.064 3.155 -10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 11 110.542 2.282 -10.574 1.00 0.00 H new ATOM 0 HB3 ALA A 11 111.185 3.395 -11.805 1.00 0.00 H new ATOM 208 N THR A 12 111.148 6.110 -11.567 1.00 0.00 N ATOM 209 CA THR A 12 111.850 7.398 -11.858 1.00 0.00 C ATOM 210 C THR A 12 111.144 8.562 -11.158 1.00 0.00 C ATOM 211 O THR A 12 111.773 9.392 -10.530 1.00 0.00 O ATOM 212 CB THR A 12 111.774 7.567 -13.378 1.00 0.00 C ATOM 213 OG1 THR A 12 110.415 7.694 -13.772 1.00 0.00 O ATOM 214 CG2 THR A 12 112.396 6.349 -14.063 1.00 0.00 C ATOM 0 H THR A 12 110.802 5.610 -12.386 1.00 0.00 H new ATOM 0 HA THR A 12 112.880 7.388 -11.500 1.00 0.00 H new ATOM 0 HB THR A 12 112.322 8.462 -13.671 1.00 0.00 H new ATOM 0 HG1 THR A 12 110.358 8.251 -14.576 1.00 0.00 H new ATOM 0 HG21 THR A 12 112.340 6.472 -15.145 1.00 0.00 H new ATOM 0 HG22 THR A 12 113.439 6.255 -13.762 1.00 0.00 H new ATOM 0 HG23 THR A 12 111.852 5.450 -13.772 1.00 0.00 H new ATOM 222 N ALA A 13 109.842 8.632 -11.257 1.00 0.00 N ATOM 223 CA ALA A 13 109.103 9.746 -10.593 1.00 0.00 C ATOM 224 C ALA A 13 109.357 9.714 -9.084 1.00 0.00 C ATOM 225 O ALA A 13 109.471 10.740 -8.442 1.00 0.00 O ATOM 226 CB ALA A 13 107.627 9.485 -10.896 1.00 0.00 C ATOM 0 H ALA A 13 109.260 7.968 -11.767 1.00 0.00 H new ATOM 0 HA ALA A 13 109.421 10.725 -10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 13 107.018 10.265 -10.439 1.00 0.00 H new ATOM 0 HB2 ALA A 13 107.471 9.488 -11.975 1.00 0.00 H new ATOM 0 HB3 ALA A 13 107.338 8.515 -10.490 1.00 0.00 H new ATOM 232 N ALA A 14 109.454 8.542 -8.516 1.00 0.00 N ATOM 233 CA ALA A 14 109.707 8.440 -7.050 1.00 0.00 C ATOM 234 C ALA A 14 111.164 8.801 -6.746 1.00 0.00 C ATOM 235 O ALA A 14 111.475 9.338 -5.701 1.00 0.00 O ATOM 236 CB ALA A 14 109.431 6.977 -6.700 1.00 0.00 C ATOM 0 H ALA A 14 109.369 7.650 -9.004 1.00 0.00 H new ATOM 0 HA ALA A 14 109.081 9.119 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 14 109.596 6.821 -5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.398 6.732 -6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 14 110.102 6.334 -7.269 1.00 0.00 H new ATOM 242 N ALA A 15 112.057 8.514 -7.656 1.00 0.00 N ATOM 243 CA ALA A 15 113.495 8.842 -7.427 1.00 0.00 C ATOM 244 C ALA A 15 113.712 10.353 -7.539 1.00 0.00 C ATOM 245 O ALA A 15 114.600 10.910 -6.924 1.00 0.00 O ATOM 246 CB ALA A 15 114.251 8.106 -8.532 1.00 0.00 C ATOM 0 H ALA A 15 111.852 8.066 -8.549 1.00 0.00 H new ATOM 0 HA ALA A 15 113.836 8.544 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.319 8.298 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.065 7.035 -8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.909 8.459 -9.505 1.00 0.00 H new ATOM 252 N ARG A 16 112.905 11.020 -8.322 1.00 0.00 N ATOM 253 CA ARG A 16 113.060 12.497 -8.474 1.00 0.00 C ATOM 254 C ARG A 16 112.208 13.232 -7.432 1.00 0.00 C ATOM 255 O ARG A 16 112.027 14.433 -7.504 1.00 0.00 O ATOM 256 CB ARG A 16 112.559 12.805 -9.886 1.00 0.00 C ATOM 257 CG ARG A 16 113.416 12.058 -10.909 1.00 0.00 C ATOM 258 CD ARG A 16 112.869 12.309 -12.316 1.00 0.00 C ATOM 259 NE ARG A 16 113.583 11.333 -13.184 1.00 0.00 N ATOM 260 CZ ARG A 16 114.326 11.757 -14.169 1.00 0.00 C ATOM 261 NH1 ARG A 16 113.798 12.469 -15.126 1.00 0.00 N ATOM 262 NH2 ARG A 16 115.598 11.469 -14.195 1.00 0.00 N ATOM 0 H ARG A 16 112.146 10.606 -8.863 1.00 0.00 H new ATOM 0 HA ARG A 16 114.091 12.819 -8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 16 111.515 12.508 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 16 112.604 13.878 -10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 16 114.451 12.393 -10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 16 113.412 10.990 -10.691 1.00 0.00 H new ATOM 0 HD2 ARG A 16 111.790 12.156 -12.354 1.00 0.00 H new ATOM 0 HD3 ARG A 16 113.057 13.334 -12.636 1.00 0.00 H new ATOM 0 HE ARG A 16 113.491 10.332 -13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 16 112.804 12.695 -15.105 1.00 0.00 H new ATOM 0 HH12 ARG A 16 114.380 12.800 -15.896 1.00 0.00 H new ATOM 0 HH21 ARG A 16 116.010 10.913 -13.446 1.00 0.00 H new ATOM 0 HH22 ARG A 16 116.180 11.800 -14.964 1.00 0.00 H new ATOM 276 N GLY A 17 111.682 12.524 -6.465 1.00 0.00 N ATOM 277 CA GLY A 17 110.842 13.184 -5.426 1.00 0.00 C ATOM 278 C GLY A 17 109.622 13.826 -6.088 1.00 0.00 C ATOM 279 O GLY A 17 109.405 15.018 -5.988 1.00 0.00 O ATOM 0 H GLY A 17 111.799 11.517 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 17 110.523 12.453 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 17 111.424 13.941 -4.900 1.00 0.00 H new ATOM 283 N GLN A 18 108.825 13.045 -6.767 1.00 0.00 N ATOM 284 CA GLN A 18 107.619 13.611 -7.440 1.00 0.00 C ATOM 285 C GLN A 18 106.363 12.840 -7.021 1.00 0.00 C ATOM 286 O GLN A 18 105.900 11.963 -7.724 1.00 0.00 O ATOM 287 CB GLN A 18 107.883 13.437 -8.936 1.00 0.00 C ATOM 288 CG GLN A 18 109.132 14.228 -9.329 1.00 0.00 C ATOM 289 CD GLN A 18 108.862 15.725 -9.164 1.00 0.00 C ATOM 290 OE1 GLN A 18 107.754 16.180 -9.369 1.00 0.00 O ATOM 291 NE2 GLN A 18 109.835 16.516 -8.799 1.00 0.00 N ATOM 0 H GLN A 18 108.956 12.040 -6.885 1.00 0.00 H new ATOM 0 HA GLN A 18 107.450 14.655 -7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 18 108.019 12.382 -9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 18 107.024 13.784 -9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 18 109.975 13.929 -8.706 1.00 0.00 H new ATOM 0 HG3 GLN A 18 109.404 14.009 -10.361 1.00 0.00 H new ATOM 0 HE21 GLN A 18 110.765 16.134 -8.627 1.00 0.00 H new ATOM 0 HE22 GLN A 18 109.665 17.515 -8.686 1.00 0.00 H new ATOM 300 N VAL A 19 105.810 13.163 -5.883 1.00 0.00 N ATOM 301 CA VAL A 19 104.582 12.452 -5.417 1.00 0.00 C ATOM 302 C VAL A 19 103.445 12.647 -6.425 1.00 0.00 C ATOM 303 O VAL A 19 102.812 11.701 -6.851 1.00 0.00 O ATOM 304 CB VAL A 19 104.235 13.103 -4.072 1.00 0.00 C ATOM 305 CG1 VAL A 19 102.855 12.631 -3.601 1.00 0.00 C ATOM 306 CG2 VAL A 19 105.289 12.706 -3.032 1.00 0.00 C ATOM 0 H VAL A 19 106.155 13.889 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 19 104.735 11.377 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 19 104.220 14.186 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.617 13.098 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.103 12.911 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 19 102.862 11.547 -3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 19 105.047 13.166 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 19 105.300 11.622 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 19 106.271 13.047 -3.360 1.00 0.00 H new ATOM 316 N GLU A 20 103.179 13.870 -6.807 1.00 0.00 N ATOM 317 CA GLU A 20 102.079 14.135 -7.786 1.00 0.00 C ATOM 318 C GLU A 20 102.240 13.251 -9.029 1.00 0.00 C ATOM 319 O GLU A 20 101.318 12.574 -9.440 1.00 0.00 O ATOM 320 CB GLU A 20 102.228 15.611 -8.157 1.00 0.00 C ATOM 321 CG GLU A 20 100.867 16.173 -8.576 1.00 0.00 C ATOM 322 CD GLU A 20 100.674 15.979 -10.081 1.00 0.00 C ATOM 323 OE1 GLU A 20 101.531 16.418 -10.831 1.00 0.00 O ATOM 324 OE2 GLU A 20 99.672 15.394 -10.460 1.00 0.00 O ATOM 0 H GLU A 20 103.677 14.699 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 20 101.097 13.913 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 20 102.619 16.172 -7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.945 15.722 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 20 100.070 15.669 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.806 17.232 -8.325 1.00 0.00 H new ATOM 331 N THR A 21 103.400 13.256 -9.628 1.00 0.00 N ATOM 332 CA THR A 21 103.617 12.418 -10.844 1.00 0.00 C ATOM 333 C THR A 21 103.436 10.935 -10.505 1.00 0.00 C ATOM 334 O THR A 21 102.828 10.188 -11.246 1.00 0.00 O ATOM 335 CB THR A 21 105.059 12.699 -11.270 1.00 0.00 C ATOM 336 OG1 THR A 21 105.253 14.103 -11.380 1.00 0.00 O ATOM 337 CG2 THR A 21 105.333 12.036 -12.620 1.00 0.00 C ATOM 0 H THR A 21 104.207 13.804 -9.329 1.00 0.00 H new ATOM 0 HA THR A 21 102.906 12.651 -11.637 1.00 0.00 H new ATOM 0 HB THR A 21 105.744 12.294 -10.525 1.00 0.00 H new ATOM 0 HG1 THR A 21 106.177 14.285 -11.651 1.00 0.00 H new ATOM 0 HG21 THR A 21 106.361 12.237 -12.922 1.00 0.00 H new ATOM 0 HG22 THR A 21 105.184 10.960 -12.534 1.00 0.00 H new ATOM 0 HG23 THR A 21 104.650 12.438 -13.368 1.00 0.00 H new ATOM 345 N VAL A 22 103.961 10.506 -9.389 1.00 0.00 N ATOM 346 CA VAL A 22 103.823 9.071 -8.998 1.00 0.00 C ATOM 347 C VAL A 22 102.359 8.748 -8.677 1.00 0.00 C ATOM 348 O VAL A 22 101.866 7.684 -8.997 1.00 0.00 O ATOM 349 CB VAL A 22 104.698 8.912 -7.750 1.00 0.00 C ATOM 350 CG1 VAL A 22 104.606 7.473 -7.233 1.00 0.00 C ATOM 351 CG2 VAL A 22 106.152 9.234 -8.101 1.00 0.00 C ATOM 0 H VAL A 22 104.480 11.086 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 22 104.128 8.394 -9.796 1.00 0.00 H new ATOM 0 HB VAL A 22 104.349 9.596 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 22 105.230 7.365 -6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 22 103.571 7.243 -6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 22 104.952 6.786 -8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 22 106.774 9.121 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 22 106.499 8.551 -8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 22 106.220 10.260 -8.464 1.00 0.00 H new ATOM 361 N ARG A 23 101.662 9.658 -8.048 1.00 0.00 N ATOM 362 CA ARG A 23 100.229 9.401 -7.707 1.00 0.00 C ATOM 363 C ARG A 23 99.376 9.387 -8.980 1.00 0.00 C ATOM 364 O ARG A 23 98.381 8.694 -9.063 1.00 0.00 O ATOM 365 CB ARG A 23 99.817 10.565 -6.799 1.00 0.00 C ATOM 366 CG ARG A 23 99.306 10.021 -5.462 1.00 0.00 C ATOM 367 CD ARG A 23 100.476 9.883 -4.484 1.00 0.00 C ATOM 368 NE ARG A 23 99.857 9.448 -3.200 1.00 0.00 N ATOM 369 CZ ARG A 23 99.345 10.334 -2.388 1.00 0.00 C ATOM 370 NH1 ARG A 23 100.039 11.386 -2.049 1.00 0.00 N ATOM 371 NH2 ARG A 23 98.141 10.167 -1.916 1.00 0.00 N ATOM 0 H ARG A 23 102.021 10.567 -7.756 1.00 0.00 H new ATOM 0 HA ARG A 23 100.090 8.436 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 23 100.667 11.227 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 23 99.040 11.158 -7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 23 98.551 10.691 -5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 23 98.827 9.053 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 23 101.203 9.152 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 23 101.006 10.828 -4.366 1.00 0.00 H new ATOM 0 HE ARG A 23 99.833 8.458 -2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 23 100.981 11.516 -2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 23 99.639 12.078 -1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 23 97.599 9.345 -2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 23 97.741 10.859 -1.282 1.00 0.00 H new ATOM 385 N GLN A 24 99.757 10.151 -9.969 1.00 0.00 N ATOM 386 CA GLN A 24 98.967 10.189 -11.235 1.00 0.00 C ATOM 387 C GLN A 24 99.307 8.986 -12.122 1.00 0.00 C ATOM 388 O GLN A 24 98.431 8.281 -12.587 1.00 0.00 O ATOM 389 CB GLN A 24 99.380 11.494 -11.917 1.00 0.00 C ATOM 390 CG GLN A 24 98.335 11.874 -12.967 1.00 0.00 C ATOM 391 CD GLN A 24 98.527 11.011 -14.215 1.00 0.00 C ATOM 392 OE1 GLN A 24 99.642 10.722 -14.602 1.00 0.00 O ATOM 393 NE2 GLN A 24 97.479 10.583 -14.867 1.00 0.00 N ATOM 0 H GLN A 24 100.582 10.751 -9.955 1.00 0.00 H new ATOM 0 HA GLN A 24 97.894 10.144 -11.049 1.00 0.00 H new ATOM 0 HB2 GLN A 24 99.474 12.289 -11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 24 100.357 11.378 -12.386 1.00 0.00 H new ATOM 0 HG2 GLN A 24 97.332 11.732 -12.565 1.00 0.00 H new ATOM 0 HG3 GLN A 24 98.429 12.929 -13.224 1.00 0.00 H new ATOM 0 HE21 GLN A 24 96.543 10.825 -14.543 1.00 0.00 H new ATOM 0 HE22 GLN A 24 97.597 10.007 -15.700 1.00 0.00 H new ATOM 402 N LEU A 25 100.568 8.751 -12.368 1.00 0.00 N ATOM 403 CA LEU A 25 100.956 7.597 -13.236 1.00 0.00 C ATOM 404 C LEU A 25 100.469 6.279 -12.625 1.00 0.00 C ATOM 405 O LEU A 25 99.690 5.561 -13.223 1.00 0.00 O ATOM 406 CB LEU A 25 102.486 7.631 -13.295 1.00 0.00 C ATOM 407 CG LEU A 25 102.950 7.454 -14.746 1.00 0.00 C ATOM 408 CD1 LEU A 25 104.474 7.563 -14.811 1.00 0.00 C ATOM 409 CD2 LEU A 25 102.513 6.079 -15.264 1.00 0.00 C ATOM 0 H LEU A 25 101.345 9.305 -12.008 1.00 0.00 H new ATOM 0 HA LEU A 25 100.511 7.667 -14.229 1.00 0.00 H new ATOM 0 HB2 LEU A 25 102.854 8.577 -12.898 1.00 0.00 H new ATOM 0 HB3 LEU A 25 102.902 6.840 -12.671 1.00 0.00 H new ATOM 0 HG LEU A 25 102.502 8.231 -15.365 1.00 0.00 H new ATOM 0 HD11 LEU A 25 104.804 7.437 -15.842 1.00 0.00 H new ATOM 0 HD12 LEU A 25 104.785 8.543 -14.447 1.00 0.00 H new ATOM 0 HD13 LEU A 25 104.921 6.787 -14.190 1.00 0.00 H new ATOM 0 HD21 LEU A 25 102.844 5.957 -16.295 1.00 0.00 H new ATOM 0 HD22 LEU A 25 102.957 5.299 -14.645 1.00 0.00 H new ATOM 0 HD23 LEU A 25 101.427 6.002 -15.220 1.00 0.00 H new ATOM 421 N LEU A 26 100.924 5.950 -11.444 1.00 0.00 N ATOM 422 CA LEU A 26 100.490 4.671 -10.802 1.00 0.00 C ATOM 423 C LEU A 26 98.962 4.581 -10.760 1.00 0.00 C ATOM 424 O LEU A 26 98.386 3.552 -11.052 1.00 0.00 O ATOM 425 CB LEU A 26 101.061 4.717 -9.384 1.00 0.00 C ATOM 426 CG LEU A 26 101.496 3.311 -8.967 1.00 0.00 C ATOM 427 CD1 LEU A 26 102.277 3.386 -7.655 1.00 0.00 C ATOM 428 CD2 LEU A 26 100.258 2.431 -8.773 1.00 0.00 C ATOM 0 H LEU A 26 101.577 6.510 -10.896 1.00 0.00 H new ATOM 0 HA LEU A 26 100.842 3.800 -11.355 1.00 0.00 H new ATOM 0 HB2 LEU A 26 101.910 5.399 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 26 100.312 5.099 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 26 102.130 2.882 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 26 102.587 2.384 -7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 26 103.158 4.013 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 26 101.644 3.815 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 26 100.567 1.429 -8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 26 99.624 2.860 -7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 26 99.700 2.376 -9.708 1.00 0.00 H new ATOM 440 N GLU A 27 98.302 5.652 -10.404 1.00 0.00 N ATOM 441 CA GLU A 27 96.811 5.624 -10.351 1.00 0.00 C ATOM 442 C GLU A 27 96.220 5.743 -11.762 1.00 0.00 C ATOM 443 O GLU A 27 95.016 5.768 -11.937 1.00 0.00 O ATOM 444 CB GLU A 27 96.418 6.832 -9.500 1.00 0.00 C ATOM 445 CG GLU A 27 94.975 6.669 -9.019 1.00 0.00 C ATOM 446 CD GLU A 27 94.307 8.043 -8.933 1.00 0.00 C ATOM 447 OE1 GLU A 27 94.499 8.712 -7.931 1.00 0.00 O ATOM 448 OE2 GLU A 27 93.613 8.402 -9.870 1.00 0.00 O ATOM 0 H GLU A 27 98.730 6.542 -10.148 1.00 0.00 H new ATOM 0 HA GLU A 27 96.435 4.691 -9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 27 97.089 6.923 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 27 96.517 7.748 -10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 27 94.422 6.027 -9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 27 94.958 6.183 -8.043 1.00 0.00 H new ATOM 455 N ALA A 28 97.052 5.817 -12.771 1.00 0.00 N ATOM 456 CA ALA A 28 96.530 5.934 -14.162 1.00 0.00 C ATOM 457 C ALA A 28 96.699 4.605 -14.907 1.00 0.00 C ATOM 458 O ALA A 28 95.931 4.280 -15.792 1.00 0.00 O ATOM 459 CB ALA A 28 97.382 7.023 -14.812 1.00 0.00 C ATOM 0 H ALA A 28 98.069 5.801 -12.689 1.00 0.00 H new ATOM 0 HA ALA A 28 95.468 6.177 -14.185 1.00 0.00 H new ATOM 0 HB1 ALA A 28 97.060 7.170 -15.843 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.266 7.955 -14.259 1.00 0.00 H new ATOM 0 HB3 ALA A 28 98.429 6.722 -14.799 1.00 0.00 H new ATOM 465 N GLY A 29 97.697 3.834 -14.558 1.00 0.00 N ATOM 466 CA GLY A 29 97.909 2.537 -15.247 1.00 0.00 C ATOM 467 C GLY A 29 99.253 1.924 -14.834 1.00 0.00 C ATOM 468 O GLY A 29 99.428 0.722 -14.874 1.00 0.00 O ATOM 0 H GLY A 29 98.372 4.051 -13.825 1.00 0.00 H new ATOM 0 HA2 GLY A 29 97.099 1.851 -15.001 1.00 0.00 H new ATOM 0 HA3 GLY A 29 97.886 2.684 -16.327 1.00 0.00 H new ATOM 472 N ALA A 30 100.206 2.736 -14.449 1.00 0.00 N ATOM 473 CA ALA A 30 101.543 2.195 -14.043 1.00 0.00 C ATOM 474 C ALA A 30 101.386 1.036 -13.053 1.00 0.00 C ATOM 475 O ALA A 30 100.610 1.104 -12.119 1.00 0.00 O ATOM 476 CB ALA A 30 102.264 3.369 -13.379 1.00 0.00 C ATOM 0 H ALA A 30 100.117 3.751 -14.398 1.00 0.00 H new ATOM 0 HA ALA A 30 102.095 1.802 -14.897 1.00 0.00 H new ATOM 0 HB1 ALA A 30 103.254 3.051 -13.053 1.00 0.00 H new ATOM 0 HB2 ALA A 30 102.362 4.187 -14.093 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.690 3.708 -12.517 1.00 0.00 H new ATOM 482 N ASP A 31 102.120 -0.027 -13.253 1.00 0.00 N ATOM 483 CA ASP A 31 102.021 -1.194 -12.329 1.00 0.00 C ATOM 484 C ASP A 31 102.990 -1.020 -11.151 1.00 0.00 C ATOM 485 O ASP A 31 104.093 -0.542 -11.328 1.00 0.00 O ATOM 486 CB ASP A 31 102.418 -2.402 -13.175 1.00 0.00 C ATOM 487 CG ASP A 31 102.300 -3.677 -12.338 1.00 0.00 C ATOM 488 OD1 ASP A 31 101.187 -4.140 -12.153 1.00 0.00 O ATOM 489 OD2 ASP A 31 103.326 -4.168 -11.896 1.00 0.00 O ATOM 0 H ASP A 31 102.785 -0.137 -14.018 1.00 0.00 H new ATOM 0 HA ASP A 31 101.023 -1.303 -11.906 1.00 0.00 H new ATOM 0 HB2 ASP A 31 101.775 -2.471 -14.053 1.00 0.00 H new ATOM 0 HB3 ASP A 31 103.440 -2.286 -13.536 1.00 0.00 H new ATOM 494 N PRO A 32 102.549 -1.415 -9.983 1.00 0.00 N ATOM 495 CA PRO A 32 103.400 -1.295 -8.774 1.00 0.00 C ATOM 496 C PRO A 32 104.511 -2.349 -8.792 1.00 0.00 C ATOM 497 O PRO A 32 105.576 -2.151 -8.240 1.00 0.00 O ATOM 498 CB PRO A 32 102.429 -1.551 -7.624 1.00 0.00 C ATOM 499 CG PRO A 32 101.327 -2.368 -8.219 1.00 0.00 C ATOM 500 CD PRO A 32 101.237 -2.001 -9.677 1.00 0.00 C ATOM 0 HA PRO A 32 103.899 -0.329 -8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 32 102.917 -2.083 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 32 102.049 -0.616 -7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 32 101.531 -3.432 -8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 32 100.383 -2.167 -7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 32 101.037 -2.876 -10.296 1.00 0.00 H new ATOM 0 HD3 PRO A 32 100.431 -1.290 -9.860 1.00 0.00 H new ATOM 508 N ASN A 33 104.273 -3.468 -9.425 1.00 0.00 N ATOM 509 CA ASN A 33 105.315 -4.535 -9.477 1.00 0.00 C ATOM 510 C ASN A 33 106.175 -4.382 -10.736 1.00 0.00 C ATOM 511 O ASN A 33 106.845 -5.306 -11.155 1.00 0.00 O ATOM 512 CB ASN A 33 104.533 -5.849 -9.517 1.00 0.00 C ATOM 513 CG ASN A 33 103.739 -6.011 -8.220 1.00 0.00 C ATOM 514 OD1 ASN A 33 104.348 -5.870 -7.074 1.00 0.00 O flip ATOM 515 ND2 ASN A 33 102.552 -6.268 -8.249 1.00 0.00 N flip ATOM 0 H ASN A 33 103.402 -3.689 -9.908 1.00 0.00 H new ATOM 0 HA ASN A 33 105.994 -4.489 -8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 33 103.858 -5.856 -10.372 1.00 0.00 H new ATOM 0 HB3 ASN A 33 105.217 -6.688 -9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 33 102.076 -6.378 -9.144 1.00 0.00 H new ATOM 0 HD22 ASN A 33 102.032 -6.374 -7.378 1.00 0.00 H new ATOM 522 N ALA A 34 106.164 -3.225 -11.341 1.00 0.00 N ATOM 523 CA ALA A 34 106.983 -3.015 -12.571 1.00 0.00 C ATOM 524 C ALA A 34 108.425 -2.667 -12.193 1.00 0.00 C ATOM 525 O ALA A 34 108.671 -1.963 -11.233 1.00 0.00 O ATOM 526 CB ALA A 34 106.321 -1.840 -13.291 1.00 0.00 C ATOM 0 H ALA A 34 105.623 -2.415 -11.037 1.00 0.00 H new ATOM 0 HA ALA A 34 107.024 -3.907 -13.197 1.00 0.00 H new ATOM 0 HB1 ALA A 34 106.866 -1.622 -14.209 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.290 -2.096 -13.533 1.00 0.00 H new ATOM 0 HB3 ALA A 34 106.334 -0.963 -12.644 1.00 0.00 H new ATOM 532 N LEU A 35 109.379 -3.156 -12.940 1.00 0.00 N ATOM 533 CA LEU A 35 110.806 -2.852 -12.622 1.00 0.00 C ATOM 534 C LEU A 35 111.320 -1.726 -13.523 1.00 0.00 C ATOM 535 O LEU A 35 110.831 -1.522 -14.618 1.00 0.00 O ATOM 536 CB LEU A 35 111.561 -4.152 -12.905 1.00 0.00 C ATOM 537 CG LEU A 35 111.532 -5.040 -11.660 1.00 0.00 C ATOM 538 CD1 LEU A 35 112.168 -6.393 -11.981 1.00 0.00 C ATOM 539 CD2 LEU A 35 112.318 -4.364 -10.534 1.00 0.00 C ATOM 0 H LEU A 35 109.233 -3.752 -13.755 1.00 0.00 H new ATOM 0 HA LEU A 35 110.938 -2.520 -11.592 1.00 0.00 H new ATOM 0 HB2 LEU A 35 111.106 -4.673 -13.747 1.00 0.00 H new ATOM 0 HB3 LEU A 35 112.592 -3.933 -13.185 1.00 0.00 H new ATOM 0 HG LEU A 35 110.499 -5.190 -11.346 1.00 0.00 H new ATOM 0 HD11 LEU A 35 112.147 -7.025 -11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 35 111.610 -6.876 -12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 35 113.201 -6.244 -12.296 1.00 0.00 H new ATOM 0 HD21 LEU A 35 112.298 -4.996 -9.646 1.00 0.00 H new ATOM 0 HD22 LEU A 35 113.350 -4.215 -10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 35 111.866 -3.399 -10.303 1.00 0.00 H new ATOM 551 N ASN A 36 112.302 -0.994 -13.071 1.00 0.00 N ATOM 552 CA ASN A 36 112.849 0.119 -13.901 1.00 0.00 C ATOM 553 C ASN A 36 114.166 -0.307 -14.555 1.00 0.00 C ATOM 554 O ASN A 36 115.043 0.502 -14.791 1.00 0.00 O ATOM 555 CB ASN A 36 113.077 1.275 -12.921 1.00 0.00 C ATOM 556 CG ASN A 36 114.062 0.849 -11.828 1.00 0.00 C ATOM 557 OD1 ASN A 36 114.489 -0.288 -11.785 1.00 0.00 O ATOM 558 ND2 ASN A 36 114.443 1.722 -10.937 1.00 0.00 N ATOM 0 H ASN A 36 112.750 -1.118 -12.163 1.00 0.00 H new ATOM 0 HA ASN A 36 112.174 0.403 -14.708 1.00 0.00 H new ATOM 0 HB2 ASN A 36 113.465 2.143 -13.454 1.00 0.00 H new ATOM 0 HB3 ASN A 36 112.130 1.574 -12.472 1.00 0.00 H new ATOM 0 HD21 ASN A 36 115.099 1.450 -10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 36 114.085 2.676 -10.973 1.00 0.00 H new ATOM 565 N ARG A 37 114.310 -1.573 -14.851 1.00 0.00 N ATOM 566 CA ARG A 37 115.569 -2.064 -15.493 1.00 0.00 C ATOM 567 C ARG A 37 116.789 -1.665 -14.656 1.00 0.00 C ATOM 568 O ARG A 37 117.889 -1.553 -15.161 1.00 0.00 O ATOM 569 CB ARG A 37 115.613 -1.384 -16.864 1.00 0.00 C ATOM 570 CG ARG A 37 116.266 -2.324 -17.880 1.00 0.00 C ATOM 571 CD ARG A 37 116.226 -1.683 -19.270 1.00 0.00 C ATOM 572 NE ARG A 37 115.816 -2.781 -20.190 1.00 0.00 N ATOM 573 CZ ARG A 37 114.592 -3.237 -20.162 1.00 0.00 C ATOM 574 NH1 ARG A 37 113.588 -2.408 -20.069 1.00 0.00 N ATOM 575 NH2 ARG A 37 114.373 -4.522 -20.229 1.00 0.00 N ATOM 0 H ARG A 37 113.608 -2.292 -14.675 1.00 0.00 H new ATOM 0 HA ARG A 37 115.586 -3.151 -15.577 1.00 0.00 H new ATOM 0 HB2 ARG A 37 114.604 -1.127 -17.187 1.00 0.00 H new ATOM 0 HB3 ARG A 37 116.175 -0.452 -16.802 1.00 0.00 H new ATOM 0 HG2 ARG A 37 117.297 -2.528 -17.592 1.00 0.00 H new ATOM 0 HG3 ARG A 37 115.744 -3.281 -17.894 1.00 0.00 H new ATOM 0 HD2 ARG A 37 115.517 -0.856 -19.303 1.00 0.00 H new ATOM 0 HD3 ARG A 37 117.200 -1.279 -19.547 1.00 0.00 H new ATOM 0 HE ARG A 37 116.492 -3.177 -20.843 1.00 0.00 H new ATOM 0 HH11 ARG A 37 113.759 -1.404 -20.018 1.00 0.00 H new ATOM 0 HH12 ARG A 37 112.633 -2.765 -20.047 1.00 0.00 H new ATOM 0 HH21 ARG A 37 115.157 -5.170 -20.303 1.00 0.00 H new ATOM 0 HH22 ARG A 37 113.418 -4.878 -20.207 1.00 0.00 H new ATOM 589 N PHE A 38 116.602 -1.450 -13.380 1.00 0.00 N ATOM 590 CA PHE A 38 117.750 -1.059 -12.510 1.00 0.00 C ATOM 591 C PHE A 38 117.923 -2.062 -11.362 1.00 0.00 C ATOM 592 O PHE A 38 118.774 -1.897 -10.510 1.00 0.00 O ATOM 593 CB PHE A 38 117.379 0.323 -11.964 1.00 0.00 C ATOM 594 CG PHE A 38 118.483 1.305 -12.275 1.00 0.00 C ATOM 595 CD1 PHE A 38 118.681 1.741 -13.589 1.00 0.00 C ATOM 596 CD2 PHE A 38 119.307 1.781 -11.248 1.00 0.00 C ATOM 597 CE1 PHE A 38 119.703 2.653 -13.878 1.00 0.00 C ATOM 598 CE2 PHE A 38 120.330 2.693 -11.536 1.00 0.00 C ATOM 599 CZ PHE A 38 120.528 3.128 -12.851 1.00 0.00 C ATOM 0 H PHE A 38 115.704 -1.528 -12.903 1.00 0.00 H new ATOM 0 HA PHE A 38 118.693 -1.045 -13.057 1.00 0.00 H new ATOM 0 HB2 PHE A 38 116.443 0.661 -12.408 1.00 0.00 H new ATOM 0 HB3 PHE A 38 117.220 0.269 -10.887 1.00 0.00 H new ATOM 0 HD1 PHE A 38 118.045 1.374 -14.381 1.00 0.00 H new ATOM 0 HD2 PHE A 38 119.154 1.445 -10.233 1.00 0.00 H new ATOM 0 HE1 PHE A 38 119.855 2.990 -14.893 1.00 0.00 H new ATOM 0 HE2 PHE A 38 120.966 3.060 -10.744 1.00 0.00 H new ATOM 0 HZ PHE A 38 121.317 3.830 -13.074 1.00 0.00 H new ATOM 609 N GLY A 39 117.125 -3.099 -11.330 1.00 0.00 N ATOM 610 CA GLY A 39 117.246 -4.107 -10.240 1.00 0.00 C ATOM 611 C GLY A 39 117.165 -3.412 -8.880 1.00 0.00 C ATOM 612 O GLY A 39 117.702 -3.886 -7.897 1.00 0.00 O ATOM 0 H GLY A 39 116.394 -3.289 -12.015 1.00 0.00 H new ATOM 0 HA2 GLY A 39 116.452 -4.848 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 39 118.192 -4.641 -10.330 1.00 0.00 H new ATOM 616 N ARG A 40 116.496 -2.291 -8.815 1.00 0.00 N ATOM 617 CA ARG A 40 116.381 -1.562 -7.518 1.00 0.00 C ATOM 618 C ARG A 40 114.908 -1.423 -7.112 1.00 0.00 C ATOM 619 O ARG A 40 114.561 -0.607 -6.285 1.00 0.00 O ATOM 620 CB ARG A 40 116.998 -0.184 -7.783 1.00 0.00 C ATOM 621 CG ARG A 40 118.184 0.038 -6.841 1.00 0.00 C ATOM 622 CD ARG A 40 118.762 1.438 -7.066 1.00 0.00 C ATOM 623 NE ARG A 40 119.976 1.225 -7.902 1.00 0.00 N ATOM 624 CZ ARG A 40 120.805 2.213 -8.112 1.00 0.00 C ATOM 625 NH1 ARG A 40 120.350 3.377 -8.488 1.00 0.00 N ATOM 626 NH2 ARG A 40 122.087 2.036 -7.945 1.00 0.00 N ATOM 0 H ARG A 40 116.024 -1.849 -9.604 1.00 0.00 H new ATOM 0 HA ARG A 40 116.884 -2.086 -6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 40 117.327 -0.115 -8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 40 116.251 0.595 -7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 40 117.864 -0.072 -5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 40 118.950 -0.716 -7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 40 118.044 2.085 -7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 40 119.014 1.918 -6.120 1.00 0.00 H new ATOM 0 HE ARG A 40 120.160 0.309 -8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 40 119.348 3.515 -8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 40 120.997 4.149 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 40 122.442 1.126 -7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 40 122.734 2.807 -8.109 1.00 0.00 H new ATOM 640 N ARG A 41 114.040 -2.217 -7.686 1.00 0.00 N ATOM 641 CA ARG A 41 112.587 -2.133 -7.328 1.00 0.00 C ATOM 642 C ARG A 41 112.080 -0.691 -7.490 1.00 0.00 C ATOM 643 O ARG A 41 112.846 0.201 -7.793 1.00 0.00 O ATOM 644 CB ARG A 41 112.500 -2.576 -5.861 1.00 0.00 C ATOM 645 CG ARG A 41 113.347 -3.834 -5.636 1.00 0.00 C ATOM 646 CD ARG A 41 112.835 -4.968 -6.531 1.00 0.00 C ATOM 647 NE ARG A 41 113.918 -5.990 -6.509 1.00 0.00 N ATOM 648 CZ ARG A 41 114.534 -6.310 -7.614 1.00 0.00 C ATOM 649 NH1 ARG A 41 113.859 -6.783 -8.626 1.00 0.00 N ATOM 650 NH2 ARG A 41 115.827 -6.158 -7.708 1.00 0.00 N ATOM 0 H ARG A 41 114.272 -2.920 -8.387 1.00 0.00 H new ATOM 0 HA ARG A 41 111.972 -2.760 -7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 41 112.848 -1.774 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 41 111.462 -2.775 -5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 41 114.393 -3.625 -5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 41 113.299 -4.134 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 41 111.898 -5.377 -6.154 1.00 0.00 H new ATOM 0 HD3 ARG A 41 112.644 -4.616 -7.545 1.00 0.00 H new ATOM 0 HE ARG A 41 114.178 -6.439 -5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 41 112.849 -6.903 -8.554 1.00 0.00 H new ATOM 0 HH12 ARG A 41 114.342 -7.033 -9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 41 116.356 -5.789 -6.918 1.00 0.00 H new ATOM 0 HH22 ARG A 41 116.308 -6.408 -8.572 1.00 0.00 H new ATOM 664 N PRO A 42 110.799 -0.508 -7.291 1.00 0.00 N ATOM 665 CA PRO A 42 110.200 0.837 -7.425 1.00 0.00 C ATOM 666 C PRO A 42 110.334 1.636 -6.120 1.00 0.00 C ATOM 667 O PRO A 42 109.896 2.766 -6.035 1.00 0.00 O ATOM 668 CB PRO A 42 108.737 0.538 -7.727 1.00 0.00 C ATOM 669 CG PRO A 42 108.469 -0.821 -7.146 1.00 0.00 C ATOM 670 CD PRO A 42 109.795 -1.515 -6.935 1.00 0.00 C ATOM 0 HA PRO A 42 110.684 1.442 -8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 42 108.084 1.289 -7.282 1.00 0.00 H new ATOM 0 HB3 PRO A 42 108.549 0.548 -8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 42 107.932 -0.731 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 42 107.838 -1.403 -7.817 1.00 0.00 H new ATOM 0 HD2 PRO A 42 109.911 -1.843 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 42 109.883 -2.402 -7.563 1.00 0.00 H new ATOM 678 N ILE A 43 110.928 1.064 -5.101 1.00 0.00 N ATOM 679 CA ILE A 43 111.072 1.809 -3.813 1.00 0.00 C ATOM 680 C ILE A 43 112.550 2.089 -3.513 1.00 0.00 C ATOM 681 O ILE A 43 112.904 3.161 -3.066 1.00 0.00 O ATOM 682 CB ILE A 43 110.476 0.893 -2.742 1.00 0.00 C ATOM 683 CG1 ILE A 43 109.018 0.569 -3.090 1.00 0.00 C ATOM 684 CG2 ILE A 43 110.530 1.598 -1.382 1.00 0.00 C ATOM 685 CD1 ILE A 43 108.193 1.859 -3.135 1.00 0.00 C ATOM 0 H ILE A 43 111.316 0.121 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 43 110.568 2.775 -3.849 1.00 0.00 H new ATOM 0 HB ILE A 43 111.050 -0.032 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 43 108.969 0.062 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 43 108.601 -0.114 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 43 110.106 0.947 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 43 111.566 1.825 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 43 109.957 2.524 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 43 107.159 1.621 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 43 108.230 2.348 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 43 108.603 2.527 -3.893 1.00 0.00 H new ATOM 697 N GLN A 44 113.414 1.136 -3.750 1.00 0.00 N ATOM 698 CA GLN A 44 114.866 1.364 -3.471 1.00 0.00 C ATOM 699 C GLN A 44 115.365 2.577 -4.261 1.00 0.00 C ATOM 700 O GLN A 44 116.111 3.394 -3.757 1.00 0.00 O ATOM 701 CB GLN A 44 115.572 0.088 -3.935 1.00 0.00 C ATOM 702 CG GLN A 44 116.617 -0.331 -2.898 1.00 0.00 C ATOM 703 CD GLN A 44 117.044 -1.778 -3.158 1.00 0.00 C ATOM 704 OE1 GLN A 44 116.212 -2.653 -3.301 1.00 0.00 O ATOM 705 NE2 GLN A 44 118.314 -2.071 -3.227 1.00 0.00 N ATOM 0 H GLN A 44 113.181 0.215 -4.122 1.00 0.00 H new ATOM 0 HA GLN A 44 115.058 1.567 -2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 44 114.844 -0.711 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 44 116.050 0.256 -4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 44 117.482 0.330 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 44 116.205 -0.237 -1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 44 119.014 -1.338 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 44 118.607 -3.033 -3.401 1.00 0.00 H new ATOM 714 N VAL A 45 114.951 2.702 -5.494 1.00 0.00 N ATOM 715 CA VAL A 45 115.391 3.866 -6.319 1.00 0.00 C ATOM 716 C VAL A 45 114.637 5.133 -5.896 1.00 0.00 C ATOM 717 O VAL A 45 114.986 6.231 -6.282 1.00 0.00 O ATOM 718 CB VAL A 45 115.050 3.484 -7.762 1.00 0.00 C ATOM 719 CG1 VAL A 45 113.538 3.283 -7.908 1.00 0.00 C ATOM 720 CG2 VAL A 45 115.507 4.601 -8.704 1.00 0.00 C ATOM 0 H VAL A 45 114.327 2.048 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 45 116.453 4.080 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 45 115.560 2.555 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 45 113.305 3.012 -8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 45 113.211 2.487 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 45 113.022 4.208 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 45 115.265 4.331 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 45 114.998 5.528 -8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 45 116.584 4.739 -8.609 1.00 0.00 H new ATOM 730 N MET A 46 113.605 4.986 -5.103 1.00 0.00 N ATOM 731 CA MET A 46 112.822 6.175 -4.645 1.00 0.00 C ATOM 732 C MET A 46 113.756 7.236 -4.058 1.00 0.00 C ATOM 733 O MET A 46 114.795 6.927 -3.507 1.00 0.00 O ATOM 734 CB MET A 46 111.889 5.629 -3.562 1.00 0.00 C ATOM 735 CG MET A 46 110.751 6.621 -3.297 1.00 0.00 C ATOM 736 SD MET A 46 110.579 6.898 -1.513 1.00 0.00 S ATOM 737 CE MET A 46 110.398 5.167 -1.007 1.00 0.00 C ATOM 0 H MET A 46 113.270 4.089 -4.751 1.00 0.00 H new ATOM 0 HA MET A 46 112.278 6.651 -5.460 1.00 0.00 H new ATOM 0 HB2 MET A 46 111.479 4.669 -3.875 1.00 0.00 H new ATOM 0 HB3 MET A 46 112.449 5.453 -2.644 1.00 0.00 H new ATOM 0 HG2 MET A 46 110.954 7.565 -3.803 1.00 0.00 H new ATOM 0 HG3 MET A 46 109.817 6.235 -3.706 1.00 0.00 H new ATOM 0 HE1 MET A 46 110.527 5.088 0.073 1.00 0.00 H new ATOM 0 HE2 MET A 46 109.405 4.810 -1.281 1.00 0.00 H new ATOM 0 HE3 MET A 46 111.153 4.561 -1.508 1.00 0.00 H new ATOM 747 N MET A 47 113.389 8.484 -4.167 1.00 0.00 N ATOM 748 CA MET A 47 114.249 9.571 -3.610 1.00 0.00 C ATOM 749 C MET A 47 114.379 9.419 -2.090 1.00 0.00 C ATOM 750 O MET A 47 115.241 10.010 -1.468 1.00 0.00 O ATOM 751 CB MET A 47 113.519 10.869 -3.961 1.00 0.00 C ATOM 752 CG MET A 47 114.511 12.035 -3.949 1.00 0.00 C ATOM 753 SD MET A 47 114.568 12.762 -2.293 1.00 0.00 S ATOM 754 CE MET A 47 113.449 14.147 -2.615 1.00 0.00 C ATOM 0 H MET A 47 112.530 8.800 -4.618 1.00 0.00 H new ATOM 0 HA MET A 47 115.260 9.548 -4.016 1.00 0.00 H new ATOM 0 HB2 MET A 47 113.055 10.783 -4.944 1.00 0.00 H new ATOM 0 HB3 MET A 47 112.718 11.053 -3.245 1.00 0.00 H new ATOM 0 HG2 MET A 47 115.502 11.686 -4.239 1.00 0.00 H new ATOM 0 HG3 MET A 47 114.212 12.788 -4.678 1.00 0.00 H new ATOM 0 HE1 MET A 47 113.420 14.801 -1.744 1.00 0.00 H new ATOM 0 HE2 MET A 47 113.804 14.709 -3.479 1.00 0.00 H new ATOM 0 HE3 MET A 47 112.448 13.766 -2.817 1.00 0.00 H new ATOM 764 N MET A 48 113.524 8.632 -1.485 1.00 0.00 N ATOM 765 CA MET A 48 113.583 8.438 -0.004 1.00 0.00 C ATOM 766 C MET A 48 113.505 9.791 0.710 1.00 0.00 C ATOM 767 O MET A 48 113.982 9.950 1.816 1.00 0.00 O ATOM 768 CB MET A 48 114.928 7.754 0.268 1.00 0.00 C ATOM 769 CG MET A 48 114.699 6.267 0.557 1.00 0.00 C ATOM 770 SD MET A 48 114.489 5.372 -1.003 1.00 0.00 S ATOM 771 CE MET A 48 113.891 3.813 -0.300 1.00 0.00 C ATOM 0 H MET A 48 112.784 8.113 -1.957 1.00 0.00 H new ATOM 0 HA MET A 48 112.750 7.838 0.363 1.00 0.00 H new ATOM 0 HB2 MET A 48 115.587 7.870 -0.592 1.00 0.00 H new ATOM 0 HB3 MET A 48 115.423 8.228 1.116 1.00 0.00 H new ATOM 0 HG2 MET A 48 115.544 5.859 1.111 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.816 6.139 1.183 1.00 0.00 H new ATOM 0 HE1 MET A 48 114.249 2.980 -0.905 1.00 0.00 H new ATOM 0 HE2 MET A 48 114.263 3.707 0.719 1.00 0.00 H new ATOM 0 HE3 MET A 48 112.801 3.813 -0.290 1.00 0.00 H new ATOM 781 N GLY A 49 112.898 10.764 0.082 1.00 0.00 N ATOM 782 CA GLY A 49 112.774 12.108 0.715 1.00 0.00 C ATOM 783 C GLY A 49 111.307 12.549 0.680 1.00 0.00 C ATOM 784 O GLY A 49 110.998 13.717 0.807 1.00 0.00 O ATOM 0 H GLY A 49 112.482 10.684 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.131 12.073 1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.396 12.831 0.187 1.00 0.00 H new ATOM 788 N SER A 50 110.403 11.618 0.507 1.00 0.00 N ATOM 789 CA SER A 50 108.956 11.974 0.461 1.00 0.00 C ATOM 790 C SER A 50 108.098 10.751 0.802 1.00 0.00 C ATOM 791 O SER A 50 107.889 9.881 -0.021 1.00 0.00 O ATOM 792 CB SER A 50 108.707 12.414 -0.981 1.00 0.00 C ATOM 793 OG SER A 50 107.308 12.548 -1.195 1.00 0.00 O ATOM 0 H SER A 50 110.607 10.625 0.396 1.00 0.00 H new ATOM 0 HA SER A 50 108.698 12.753 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 50 109.209 13.362 -1.176 1.00 0.00 H new ATOM 0 HB3 SER A 50 109.124 11.683 -1.674 1.00 0.00 H new ATOM 0 HG SER A 50 107.057 13.494 -1.136 1.00 0.00 H new ATOM 799 N ALA A 51 107.598 10.682 2.007 1.00 0.00 N ATOM 800 CA ALA A 51 106.749 9.519 2.405 1.00 0.00 C ATOM 801 C ALA A 51 105.543 9.403 1.469 1.00 0.00 C ATOM 802 O ALA A 51 105.000 8.334 1.266 1.00 0.00 O ATOM 803 CB ALA A 51 106.290 9.831 3.829 1.00 0.00 C ATOM 0 H ALA A 51 107.741 11.382 2.735 1.00 0.00 H new ATOM 0 HA ALA A 51 107.290 8.575 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 51 105.659 9.020 4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 51 107.160 9.934 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 51 105.723 10.762 3.833 1.00 0.00 H new ATOM 809 N GLN A 52 105.122 10.500 0.897 1.00 0.00 N ATOM 810 CA GLN A 52 103.952 10.468 -0.031 1.00 0.00 C ATOM 811 C GLN A 52 104.181 9.448 -1.150 1.00 0.00 C ATOM 812 O GLN A 52 103.258 8.809 -1.619 1.00 0.00 O ATOM 813 CB GLN A 52 103.865 11.878 -0.602 1.00 0.00 C ATOM 814 CG GLN A 52 102.803 12.680 0.151 1.00 0.00 C ATOM 815 CD GLN A 52 103.266 12.910 1.587 1.00 0.00 C ATOM 816 OE1 GLN A 52 103.936 13.881 1.875 1.00 0.00 O ATOM 817 NE2 GLN A 52 102.934 12.050 2.507 1.00 0.00 N ATOM 0 H GLN A 52 105.539 11.421 1.033 1.00 0.00 H new ATOM 0 HA GLN A 52 103.034 10.174 0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 52 104.833 12.373 -0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 52 103.617 11.836 -1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 52 102.633 13.635 -0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 52 101.854 12.144 0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 52 102.371 11.235 2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 52 103.237 12.192 3.471 1.00 0.00 H new ATOM 826 N VAL A 53 105.403 9.290 -1.580 1.00 0.00 N ATOM 827 CA VAL A 53 105.694 8.312 -2.668 1.00 0.00 C ATOM 828 C VAL A 53 105.673 6.880 -2.117 1.00 0.00 C ATOM 829 O VAL A 53 104.862 6.069 -2.517 1.00 0.00 O ATOM 830 CB VAL A 53 107.089 8.687 -3.169 1.00 0.00 C ATOM 831 CG1 VAL A 53 107.524 7.710 -4.262 1.00 0.00 C ATOM 832 CG2 VAL A 53 107.058 10.108 -3.740 1.00 0.00 C ATOM 0 H VAL A 53 106.214 9.796 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 53 104.954 8.346 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 53 107.796 8.640 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 53 108.519 7.980 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 53 107.545 6.698 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 53 106.818 7.754 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.051 10.378 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.350 10.152 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 53 106.751 10.806 -2.962 1.00 0.00 H new ATOM 842 N ALA A 54 106.559 6.566 -1.205 1.00 0.00 N ATOM 843 CA ALA A 54 106.597 5.185 -0.626 1.00 0.00 C ATOM 844 C ALA A 54 105.191 4.725 -0.214 1.00 0.00 C ATOM 845 O ALA A 54 104.898 3.546 -0.198 1.00 0.00 O ATOM 846 CB ALA A 54 107.499 5.300 0.604 1.00 0.00 C ATOM 0 H ALA A 54 107.260 7.208 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 54 106.965 4.454 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 54 107.580 4.327 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 54 108.490 5.637 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 54 107.071 6.019 1.303 1.00 0.00 H new ATOM 852 N GLU A 55 104.326 5.646 0.118 1.00 0.00 N ATOM 853 CA GLU A 55 102.943 5.260 0.529 1.00 0.00 C ATOM 854 C GLU A 55 102.148 4.752 -0.678 1.00 0.00 C ATOM 855 O GLU A 55 101.627 3.653 -0.670 1.00 0.00 O ATOM 856 CB GLU A 55 102.317 6.544 1.079 1.00 0.00 C ATOM 857 CG GLU A 55 101.293 6.191 2.160 1.00 0.00 C ATOM 858 CD GLU A 55 100.624 7.470 2.667 1.00 0.00 C ATOM 859 OE1 GLU A 55 101.302 8.481 2.743 1.00 0.00 O ATOM 860 OE2 GLU A 55 99.443 7.416 2.971 1.00 0.00 O ATOM 0 H GLU A 55 104.516 6.648 0.123 1.00 0.00 H new ATOM 0 HA GLU A 55 102.945 4.457 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 55 103.091 7.190 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 55 101.835 7.100 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 55 100.543 5.511 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 55 101.783 5.673 2.984 1.00 0.00 H new ATOM 867 N LEU A 56 102.046 5.545 -1.712 1.00 0.00 N ATOM 868 CA LEU A 56 101.280 5.113 -2.922 1.00 0.00 C ATOM 869 C LEU A 56 101.766 3.743 -3.410 1.00 0.00 C ATOM 870 O LEU A 56 100.997 2.812 -3.544 1.00 0.00 O ATOM 871 CB LEU A 56 101.564 6.188 -3.974 1.00 0.00 C ATOM 872 CG LEU A 56 100.901 5.806 -5.300 1.00 0.00 C ATOM 873 CD1 LEU A 56 99.408 6.133 -5.239 1.00 0.00 C ATOM 874 CD2 LEU A 56 101.550 6.595 -6.438 1.00 0.00 C ATOM 0 H LEU A 56 102.460 6.475 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 56 100.215 5.010 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 56 101.187 7.152 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 56 102.639 6.298 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 56 101.030 4.738 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 56 98.937 5.861 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 56 98.945 5.571 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 56 99.276 7.201 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 56 101.079 6.324 -7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 56 101.420 7.663 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 56 102.614 6.361 -6.482 1.00 0.00 H new ATOM 886 N LEU A 57 103.036 3.620 -3.688 1.00 0.00 N ATOM 887 CA LEU A 57 103.575 2.316 -4.180 1.00 0.00 C ATOM 888 C LEU A 57 103.168 1.173 -3.244 1.00 0.00 C ATOM 889 O LEU A 57 102.601 0.185 -3.668 1.00 0.00 O ATOM 890 CB LEU A 57 105.096 2.490 -4.184 1.00 0.00 C ATOM 891 CG LEU A 57 105.504 3.420 -5.330 1.00 0.00 C ATOM 892 CD1 LEU A 57 105.763 4.827 -4.787 1.00 0.00 C ATOM 893 CD2 LEU A 57 106.781 2.890 -5.987 1.00 0.00 C ATOM 0 H LEU A 57 103.725 4.366 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 57 103.188 2.063 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 57 105.427 2.903 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 57 105.583 1.521 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 57 104.700 3.457 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 57 106.053 5.485 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 57 104.856 5.209 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 57 106.565 4.790 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 57 107.072 3.552 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 57 107.581 2.851 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 57 106.600 1.889 -6.379 1.00 0.00 H new ATOM 905 N LEU A 58 103.455 1.299 -1.977 1.00 0.00 N ATOM 906 CA LEU A 58 103.086 0.216 -1.017 1.00 0.00 C ATOM 907 C LEU A 58 101.567 0.024 -0.988 1.00 0.00 C ATOM 908 O LEU A 58 101.075 -1.053 -0.716 1.00 0.00 O ATOM 909 CB LEU A 58 103.594 0.697 0.342 1.00 0.00 C ATOM 910 CG LEU A 58 104.982 0.104 0.609 1.00 0.00 C ATOM 911 CD1 LEU A 58 105.984 1.234 0.858 1.00 0.00 C ATOM 912 CD2 LEU A 58 104.922 -0.801 1.842 1.00 0.00 C ATOM 0 H LEU A 58 103.928 2.103 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 58 103.519 -0.745 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 58 103.643 1.786 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.901 0.397 1.128 1.00 0.00 H new ATOM 0 HG LEU A 58 105.298 -0.478 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 58 106.970 0.810 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 58 106.029 1.880 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 58 105.667 1.817 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.909 -1.223 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.604 -0.218 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 58 104.210 -1.608 1.667 1.00 0.00 H new ATOM 924 N LEU A 59 100.822 1.061 -1.268 1.00 0.00 N ATOM 925 CA LEU A 59 99.334 0.936 -1.259 1.00 0.00 C ATOM 926 C LEU A 59 98.868 0.076 -2.437 1.00 0.00 C ATOM 927 O LEU A 59 97.948 -0.709 -2.318 1.00 0.00 O ATOM 928 CB LEU A 59 98.810 2.368 -1.401 1.00 0.00 C ATOM 929 CG LEU A 59 97.282 2.362 -1.342 1.00 0.00 C ATOM 930 CD1 LEU A 59 96.826 2.187 0.108 1.00 0.00 C ATOM 931 CD2 LEU A 59 96.746 3.687 -1.887 1.00 0.00 C ATOM 0 H LEU A 59 101.178 1.988 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 59 98.968 0.458 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 59 99.212 2.994 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 59 99.146 2.797 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 59 96.900 1.538 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 59 95.737 2.183 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 59 97.207 1.243 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 59 97.209 3.010 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 59 95.657 3.684 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 59 97.130 4.510 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 59 97.069 3.813 -2.920 1.00 0.00 H new ATOM 943 N HIS A 60 99.499 0.218 -3.572 1.00 0.00 N ATOM 944 CA HIS A 60 99.096 -0.591 -4.760 1.00 0.00 C ATOM 945 C HIS A 60 99.766 -1.969 -4.717 1.00 0.00 C ATOM 946 O HIS A 60 99.319 -2.905 -5.350 1.00 0.00 O ATOM 947 CB HIS A 60 99.585 0.207 -5.968 1.00 0.00 C ATOM 948 CG HIS A 60 98.522 1.186 -6.385 1.00 0.00 C ATOM 949 ND1 HIS A 60 98.427 2.453 -5.832 1.00 0.00 N ATOM 950 CD2 HIS A 60 97.500 1.096 -7.297 1.00 0.00 C ATOM 951 CE1 HIS A 60 97.381 3.070 -6.412 1.00 0.00 C ATOM 952 NE2 HIS A 60 96.780 2.287 -7.313 1.00 0.00 N ATOM 0 H HIS A 60 100.277 0.859 -3.728 1.00 0.00 H new ATOM 0 HA HIS A 60 98.020 -0.764 -4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 60 100.505 0.736 -5.720 1.00 0.00 H new ATOM 0 HB3 HIS A 60 99.818 -0.467 -6.793 1.00 0.00 H new ATOM 0 HD2 HIS A 60 97.287 0.232 -7.909 1.00 0.00 H new ATOM 0 HE1 HIS A 60 97.066 4.076 -6.178 1.00 0.00 H new ATOM 0 HE2 HIS A 60 95.969 2.513 -7.888 1.00 0.00 H new ATOM 960 N GLY A 61 100.832 -2.099 -3.973 1.00 0.00 N ATOM 961 CA GLY A 61 101.525 -3.406 -3.885 1.00 0.00 C ATOM 962 C GLY A 61 102.834 -3.353 -4.672 1.00 0.00 C ATOM 963 O GLY A 61 103.089 -4.182 -5.525 1.00 0.00 O ATOM 0 H GLY A 61 101.250 -1.350 -3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.727 -3.651 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 61 100.885 -4.195 -4.280 1.00 0.00 H new ATOM 967 N ALA A 62 103.671 -2.389 -4.391 1.00 0.00 N ATOM 968 CA ALA A 62 104.970 -2.288 -5.120 1.00 0.00 C ATOM 969 C ALA A 62 105.845 -3.502 -4.792 1.00 0.00 C ATOM 970 O ALA A 62 105.348 -4.588 -4.567 1.00 0.00 O ATOM 971 CB ALA A 62 105.612 -0.997 -4.608 1.00 0.00 C ATOM 0 H ALA A 62 103.511 -1.667 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 62 104.844 -2.271 -6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 62 106.575 -0.850 -5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 62 104.959 -0.153 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 62 105.760 -1.067 -3.530 1.00 0.00 H new ATOM 977 N GLU A 63 107.143 -3.332 -4.757 1.00 0.00 N ATOM 978 CA GLU A 63 108.034 -4.484 -4.436 1.00 0.00 C ATOM 979 C GLU A 63 108.961 -4.132 -3.265 1.00 0.00 C ATOM 980 O GLU A 63 110.151 -3.963 -3.445 1.00 0.00 O ATOM 981 CB GLU A 63 108.844 -4.726 -5.711 1.00 0.00 C ATOM 982 CG GLU A 63 107.908 -5.196 -6.826 1.00 0.00 C ATOM 983 CD GLU A 63 108.730 -5.823 -7.953 1.00 0.00 C ATOM 984 OE1 GLU A 63 109.712 -6.480 -7.649 1.00 0.00 O ATOM 985 OE2 GLU A 63 108.363 -5.637 -9.102 1.00 0.00 O ATOM 0 H GLU A 63 107.621 -2.449 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 63 107.472 -5.369 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 63 109.353 -3.810 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 63 109.615 -5.475 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 63 107.195 -5.922 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 63 107.330 -4.355 -7.208 1.00 0.00 H new ATOM 992 N PRO A 64 108.380 -4.035 -2.095 1.00 0.00 N ATOM 993 CA PRO A 64 109.163 -3.705 -0.885 1.00 0.00 C ATOM 994 C PRO A 64 109.830 -4.966 -0.332 1.00 0.00 C ATOM 995 O PRO A 64 110.870 -4.908 0.294 1.00 0.00 O ATOM 996 CB PRO A 64 108.111 -3.182 0.086 1.00 0.00 C ATOM 997 CG PRO A 64 106.817 -3.804 -0.346 1.00 0.00 C ATOM 998 CD PRO A 64 106.956 -4.219 -1.792 1.00 0.00 C ATOM 0 HA PRO A 64 109.962 -2.987 -1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 64 108.354 -3.457 1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 64 108.053 -2.094 0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 64 106.583 -4.667 0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 64 105.997 -3.096 -0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 64 106.650 -5.255 -1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 64 106.330 -3.607 -2.442 1.00 0.00 H new ATOM 1006 N ASN A 65 109.233 -6.108 -0.558 1.00 0.00 N ATOM 1007 CA ASN A 65 109.825 -7.377 -0.047 1.00 0.00 C ATOM 1008 C ASN A 65 110.961 -7.839 -0.964 1.00 0.00 C ATOM 1009 O ASN A 65 111.944 -8.395 -0.516 1.00 0.00 O ATOM 1010 CB ASN A 65 108.676 -8.387 -0.068 1.00 0.00 C ATOM 1011 CG ASN A 65 107.573 -7.926 0.887 1.00 0.00 C ATOM 1012 OD1 ASN A 65 107.170 -6.780 0.862 1.00 0.00 O ATOM 1013 ND2 ASN A 65 107.065 -8.777 1.736 1.00 0.00 N ATOM 0 H ASN A 65 108.360 -6.215 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 65 110.249 -7.262 0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 65 108.280 -8.482 -1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 65 109.038 -9.372 0.226 1.00 0.00 H new ATOM 0 HD21 ASN A 65 106.330 -8.480 2.378 1.00 0.00 H new ATOM 0 HD22 ASN A 65 107.403 -9.739 1.758 1.00 0.00 H new ATOM 1020 N CYS A 66 110.831 -7.613 -2.245 1.00 0.00 N ATOM 1021 CA CYS A 66 111.903 -8.039 -3.192 1.00 0.00 C ATOM 1022 C CYS A 66 113.217 -7.328 -2.861 1.00 0.00 C ATOM 1023 O CYS A 66 113.261 -6.121 -2.721 1.00 0.00 O ATOM 1024 CB CYS A 66 111.407 -7.633 -4.574 1.00 0.00 C ATOM 1025 SG CYS A 66 111.136 -9.109 -5.590 1.00 0.00 S ATOM 0 H CYS A 66 110.030 -7.152 -2.676 1.00 0.00 H new ATOM 0 HA CYS A 66 112.098 -9.110 -3.133 1.00 0.00 H new ATOM 0 HB2 CYS A 66 110.480 -7.067 -4.485 1.00 0.00 H new ATOM 0 HB3 CYS A 66 112.135 -6.979 -5.054 1.00 0.00 H new ATOM 0 HG CYS A 66 110.537 -8.772 -6.694 1.00 0.00 H new ATOM 1031 N ALA A 67 114.287 -8.065 -2.736 1.00 0.00 N ATOM 1032 CA ALA A 67 115.598 -7.432 -2.415 1.00 0.00 C ATOM 1033 C ALA A 67 116.596 -7.679 -3.547 1.00 0.00 C ATOM 1034 O ALA A 67 116.409 -8.550 -4.374 1.00 0.00 O ATOM 1035 CB ALA A 67 116.067 -8.116 -1.131 1.00 0.00 C ATOM 0 H ALA A 67 114.310 -9.079 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 67 115.514 -6.352 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 67 117.029 -7.703 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.336 -7.947 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 67 116.171 -9.187 -1.306 1.00 0.00 H new ATOM 1041 N ASP A 68 117.656 -6.918 -3.589 1.00 0.00 N ATOM 1042 CA ASP A 68 118.669 -7.108 -4.666 1.00 0.00 C ATOM 1043 C ASP A 68 119.410 -8.436 -4.458 1.00 0.00 C ATOM 1044 O ASP A 68 119.971 -8.666 -3.407 1.00 0.00 O ATOM 1045 CB ASP A 68 119.630 -5.928 -4.518 1.00 0.00 C ATOM 1046 CG ASP A 68 120.046 -5.432 -5.904 1.00 0.00 C ATOM 1047 OD1 ASP A 68 120.191 -6.258 -6.788 1.00 0.00 O ATOM 1048 OD2 ASP A 68 120.213 -4.233 -6.056 1.00 0.00 O ATOM 0 H ASP A 68 117.864 -6.173 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 68 118.220 -7.143 -5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 68 119.151 -5.123 -3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 68 120.509 -6.230 -3.949 1.00 0.00 H new ATOM 1053 N PRO A 69 119.386 -9.274 -5.466 1.00 0.00 N ATOM 1054 CA PRO A 69 120.069 -10.589 -5.370 1.00 0.00 C ATOM 1055 C PRO A 69 121.588 -10.414 -5.461 1.00 0.00 C ATOM 1056 O PRO A 69 122.344 -11.249 -5.004 1.00 0.00 O ATOM 1057 CB PRO A 69 119.543 -11.355 -6.579 1.00 0.00 C ATOM 1058 CG PRO A 69 119.139 -10.302 -7.561 1.00 0.00 C ATOM 1059 CD PRO A 69 118.736 -9.086 -6.769 1.00 0.00 C ATOM 0 HA PRO A 69 119.877 -11.101 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 69 120.309 -12.009 -6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 69 118.697 -11.987 -6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 69 119.963 -10.067 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 69 118.312 -10.650 -8.180 1.00 0.00 H new ATOM 0 HD2 PRO A 69 119.070 -8.168 -7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 69 117.653 -9.017 -6.668 1.00 0.00 H new ATOM 1067 N ALA A 70 122.039 -9.340 -6.051 1.00 0.00 N ATOM 1068 CA ALA A 70 123.509 -9.115 -6.177 1.00 0.00 C ATOM 1069 C ALA A 70 124.151 -8.973 -4.793 1.00 0.00 C ATOM 1070 O ALA A 70 125.282 -9.365 -4.583 1.00 0.00 O ATOM 1071 CB ALA A 70 123.646 -7.814 -6.967 1.00 0.00 C ATOM 0 H ALA A 70 121.453 -8.608 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 70 124.009 -9.948 -6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 70 124.702 -7.580 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 70 123.173 -7.929 -7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 70 123.161 -7.004 -6.421 1.00 0.00 H new ATOM 1077 N THR A 71 123.441 -8.413 -3.850 1.00 0.00 N ATOM 1078 CA THR A 71 124.020 -8.245 -2.482 1.00 0.00 C ATOM 1079 C THR A 71 122.926 -8.377 -1.419 1.00 0.00 C ATOM 1080 O THR A 71 123.050 -7.861 -0.326 1.00 0.00 O ATOM 1081 CB THR A 71 124.619 -6.834 -2.465 1.00 0.00 C ATOM 1082 OG1 THR A 71 124.914 -6.421 -3.793 1.00 0.00 O ATOM 1083 CG2 THR A 71 125.906 -6.839 -1.636 1.00 0.00 C ATOM 0 H THR A 71 122.489 -8.065 -3.965 1.00 0.00 H new ATOM 0 HA THR A 71 124.769 -9.005 -2.261 1.00 0.00 H new ATOM 0 HB THR A 71 123.901 -6.142 -2.024 1.00 0.00 H new ATOM 0 HG1 THR A 71 125.295 -5.518 -3.778 1.00 0.00 H new ATOM 0 HG21 THR A 71 126.334 -5.837 -1.622 1.00 0.00 H new ATOM 0 HG22 THR A 71 125.681 -7.151 -0.616 1.00 0.00 H new ATOM 0 HG23 THR A 71 126.621 -7.533 -2.078 1.00 0.00 H new ATOM 1091 N LEU A 72 121.857 -9.067 -1.730 1.00 0.00 N ATOM 1092 CA LEU A 72 120.750 -9.244 -0.737 1.00 0.00 C ATOM 1093 C LEU A 72 120.416 -7.914 -0.048 1.00 0.00 C ATOM 1094 O LEU A 72 120.344 -7.837 1.163 1.00 0.00 O ATOM 1095 CB LEU A 72 121.296 -10.250 0.278 1.00 0.00 C ATOM 1096 CG LEU A 72 120.192 -11.224 0.698 1.00 0.00 C ATOM 1097 CD1 LEU A 72 120.729 -12.149 1.791 1.00 0.00 C ATOM 1098 CD2 LEU A 72 118.990 -10.446 1.242 1.00 0.00 C ATOM 0 H LEU A 72 121.702 -9.517 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 72 119.829 -9.587 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 72 122.131 -10.800 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 72 121.680 -9.724 1.152 1.00 0.00 H new ATOM 0 HG LEU A 72 119.880 -11.810 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 72 119.947 -12.845 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 72 121.583 -12.707 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 72 121.039 -11.555 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 72 118.208 -11.145 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 72 119.298 -9.858 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 72 118.607 -9.781 0.468 1.00 0.00 H new ATOM 1110 N THR A 73 120.218 -6.871 -0.807 1.00 0.00 N ATOM 1111 CA THR A 73 119.897 -5.550 -0.189 1.00 0.00 C ATOM 1112 C THR A 73 118.390 -5.288 -0.245 1.00 0.00 C ATOM 1113 O THR A 73 117.759 -5.446 -1.272 1.00 0.00 O ATOM 1114 CB THR A 73 120.656 -4.514 -1.026 1.00 0.00 C ATOM 1115 OG1 THR A 73 121.158 -5.122 -2.208 1.00 0.00 O ATOM 1116 CG2 THR A 73 121.823 -3.953 -0.211 1.00 0.00 C ATOM 0 H THR A 73 120.264 -6.875 -1.826 1.00 0.00 H new ATOM 0 HA THR A 73 120.186 -5.510 0.861 1.00 0.00 H new ATOM 0 HB THR A 73 119.976 -3.706 -1.296 1.00 0.00 H new ATOM 0 HG1 THR A 73 121.640 -4.455 -2.740 1.00 0.00 H new ATOM 0 HG21 THR A 73 122.362 -3.217 -0.807 1.00 0.00 H new ATOM 0 HG22 THR A 73 121.441 -3.479 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 73 122.499 -4.763 0.062 1.00 0.00 H new ATOM 1124 N ARG A 74 117.812 -4.888 0.856 1.00 0.00 N ATOM 1125 CA ARG A 74 116.346 -4.613 0.878 1.00 0.00 C ATOM 1126 C ARG A 74 116.090 -3.101 0.806 1.00 0.00 C ATOM 1127 O ARG A 74 116.996 -2.313 0.999 1.00 0.00 O ATOM 1128 CB ARG A 74 115.860 -5.188 2.206 1.00 0.00 C ATOM 1129 CG ARG A 74 115.852 -6.716 2.111 1.00 0.00 C ATOM 1130 CD ARG A 74 114.648 -7.276 2.868 1.00 0.00 C ATOM 1131 NE ARG A 74 113.593 -7.454 1.834 1.00 0.00 N ATOM 1132 CZ ARG A 74 112.334 -7.380 2.168 1.00 0.00 C ATOM 1133 NH1 ARG A 74 111.774 -6.214 2.347 1.00 0.00 N ATOM 1134 NH2 ARG A 74 111.633 -8.469 2.325 1.00 0.00 N ATOM 0 H ARG A 74 118.293 -4.740 1.743 1.00 0.00 H new ATOM 0 HA ARG A 74 115.824 -5.057 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 74 116.511 -4.864 3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 74 114.860 -4.819 2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 74 115.812 -7.024 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 74 116.775 -7.120 2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 74 114.891 -8.222 3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 74 114.321 -6.592 3.652 1.00 0.00 H new ATOM 0 HE ARG A 74 113.854 -7.634 0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 74 112.321 -5.362 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 74 110.790 -6.156 2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 74 112.069 -9.381 2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 74 110.649 -8.409 2.586 1.00 0.00 H new ATOM 1148 N PRO A 75 114.861 -2.741 0.530 1.00 0.00 N ATOM 1149 CA PRO A 75 114.489 -1.303 0.435 1.00 0.00 C ATOM 1150 C PRO A 75 114.545 -0.634 1.813 1.00 0.00 C ATOM 1151 O PRO A 75 114.489 0.575 1.925 1.00 0.00 O ATOM 1152 CB PRO A 75 113.060 -1.338 -0.101 1.00 0.00 C ATOM 1153 CG PRO A 75 112.535 -2.678 0.295 1.00 0.00 C ATOM 1154 CD PRO A 75 113.709 -3.621 0.285 1.00 0.00 C ATOM 0 HA PRO A 75 115.164 -0.729 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 75 112.458 -0.536 0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.041 -1.210 -1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 75 112.079 -2.638 1.284 1.00 0.00 H new ATOM 0 HG3 PRO A 75 111.764 -3.012 -0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 75 113.616 -4.385 1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 75 113.797 -4.141 -0.669 1.00 0.00 H new ATOM 1162 N VAL A 76 114.661 -1.408 2.861 1.00 0.00 N ATOM 1163 CA VAL A 76 114.728 -0.809 4.226 1.00 0.00 C ATOM 1164 C VAL A 76 116.029 -0.018 4.386 1.00 0.00 C ATOM 1165 O VAL A 76 116.101 0.931 5.142 1.00 0.00 O ATOM 1166 CB VAL A 76 114.700 -1.998 5.188 1.00 0.00 C ATOM 1167 CG1 VAL A 76 114.769 -1.492 6.630 1.00 0.00 C ATOM 1168 CG2 VAL A 76 113.402 -2.784 4.988 1.00 0.00 C ATOM 0 H VAL A 76 114.712 -2.426 2.830 1.00 0.00 H new ATOM 0 HA VAL A 76 113.907 -0.118 4.415 1.00 0.00 H new ATOM 0 HB VAL A 76 115.554 -2.645 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 76 114.749 -2.340 7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 76 115.692 -0.931 6.775 1.00 0.00 H new ATOM 0 HG13 VAL A 76 113.915 -0.844 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 76 113.381 -3.632 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 76 112.549 -2.135 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 76 113.350 -3.146 3.961 1.00 0.00 H new ATOM 1178 N HIS A 77 117.057 -0.405 3.679 1.00 0.00 N ATOM 1179 CA HIS A 77 118.356 0.321 3.785 1.00 0.00 C ATOM 1180 C HIS A 77 118.225 1.730 3.200 1.00 0.00 C ATOM 1181 O HIS A 77 118.551 2.710 3.838 1.00 0.00 O ATOM 1182 CB HIS A 77 119.343 -0.504 2.959 1.00 0.00 C ATOM 1183 CG HIS A 77 119.684 -1.771 3.692 1.00 0.00 C ATOM 1184 ND1 HIS A 77 120.766 -2.125 4.458 1.00 0.00 N flip ATOM 1185 CD2 HIS A 77 118.852 -2.880 3.677 1.00 0.00 C flip ATOM 1186 CE1 HIS A 77 120.612 -3.431 4.913 1.00 0.00 C flip ATOM 1187 NE2 HIS A 77 119.442 -3.839 4.414 1.00 0.00 N flip ATOM 0 H HIS A 77 117.053 -1.193 3.032 1.00 0.00 H new ATOM 0 HA HIS A 77 118.680 0.432 4.820 1.00 0.00 H new ATOM 0 HB2 HIS A 77 118.910 -0.740 1.987 1.00 0.00 H new ATOM 0 HB3 HIS A 77 120.248 0.074 2.773 1.00 0.00 H new ATOM 0 HD1 HIS A 77 121.563 -1.522 4.663 1.00 0.00 H new ATOM 0 HD2 HIS A 77 117.903 -2.960 3.167 1.00 0.00 H new ATOM 0 HE1 HIS A 77 121.292 -3.994 5.536 1.00 0.00 H new ATOM 1195 N ASP A 78 117.755 1.831 1.983 1.00 0.00 N ATOM 1196 CA ASP A 78 117.607 3.172 1.340 1.00 0.00 C ATOM 1197 C ASP A 78 116.824 4.129 2.247 1.00 0.00 C ATOM 1198 O ASP A 78 117.297 5.192 2.596 1.00 0.00 O ATOM 1199 CB ASP A 78 116.834 2.907 0.049 1.00 0.00 C ATOM 1200 CG ASP A 78 117.702 2.082 -0.904 1.00 0.00 C ATOM 1201 OD1 ASP A 78 117.795 0.883 -0.701 1.00 0.00 O ATOM 1202 OD2 ASP A 78 118.259 2.665 -1.820 1.00 0.00 O ATOM 0 H ASP A 78 117.467 1.041 1.406 1.00 0.00 H new ATOM 0 HA ASP A 78 118.573 3.642 1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 78 115.909 2.374 0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 78 116.555 3.850 -0.421 1.00 0.00 H new ATOM 1207 N ALA A 79 115.629 3.762 2.623 1.00 0.00 N ATOM 1208 CA ALA A 79 114.815 4.655 3.502 1.00 0.00 C ATOM 1209 C ALA A 79 115.497 4.844 4.863 1.00 0.00 C ATOM 1210 O ALA A 79 115.162 5.742 5.611 1.00 0.00 O ATOM 1211 CB ALA A 79 113.476 3.936 3.668 1.00 0.00 C ATOM 0 H ALA A 79 115.180 2.884 2.361 1.00 0.00 H new ATOM 0 HA ALA A 79 114.695 5.650 3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 79 112.820 4.531 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 79 113.011 3.802 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 79 113.641 2.962 4.128 1.00 0.00 H new ATOM 1217 N ALA A 80 116.446 4.007 5.193 1.00 0.00 N ATOM 1218 CA ALA A 80 117.138 4.145 6.509 1.00 0.00 C ATOM 1219 C ALA A 80 118.382 5.030 6.372 1.00 0.00 C ATOM 1220 O ALA A 80 118.708 5.799 7.255 1.00 0.00 O ATOM 1221 CB ALA A 80 117.536 2.721 6.897 1.00 0.00 C ATOM 0 H ALA A 80 116.771 3.236 4.610 1.00 0.00 H new ATOM 0 HA ALA A 80 116.501 4.613 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 80 118.052 2.736 7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 80 116.642 2.102 6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 80 118.198 2.308 6.136 1.00 0.00 H new ATOM 1227 N ARG A 81 119.080 4.922 5.274 1.00 0.00 N ATOM 1228 CA ARG A 81 120.308 5.753 5.080 1.00 0.00 C ATOM 1229 C ARG A 81 119.941 7.225 4.862 1.00 0.00 C ATOM 1230 O ARG A 81 120.767 8.104 5.010 1.00 0.00 O ATOM 1231 CB ARG A 81 120.986 5.181 3.831 1.00 0.00 C ATOM 1232 CG ARG A 81 120.019 5.242 2.645 1.00 0.00 C ATOM 1233 CD ARG A 81 120.809 5.360 1.340 1.00 0.00 C ATOM 1234 NE ARG A 81 119.773 5.444 0.270 1.00 0.00 N ATOM 1235 CZ ARG A 81 120.121 5.355 -0.985 1.00 0.00 C ATOM 1236 NH1 ARG A 81 120.990 4.455 -1.361 1.00 0.00 N ATOM 1237 NH2 ARG A 81 119.598 6.164 -1.866 1.00 0.00 N ATOM 0 H ARG A 81 118.855 4.295 4.502 1.00 0.00 H new ATOM 0 HA ARG A 81 120.960 5.720 5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 81 121.890 5.746 3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 81 121.291 4.150 4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 81 119.397 4.347 2.625 1.00 0.00 H new ATOM 0 HG3 ARG A 81 119.349 6.095 2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 81 121.447 6.244 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 81 121.460 4.498 1.193 1.00 0.00 H new ATOM 0 HE ARG A 81 118.792 5.571 0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 81 121.397 3.821 -0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 81 121.261 4.386 -2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 81 118.918 6.865 -1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 81 119.870 6.095 -2.847 1.00 0.00 H new ATOM 1251 N GLU A 82 118.715 7.502 4.503 1.00 0.00 N ATOM 1252 CA GLU A 82 118.310 8.920 4.269 1.00 0.00 C ATOM 1253 C GLU A 82 117.606 9.494 5.505 1.00 0.00 C ATOM 1254 O GLU A 82 117.023 10.558 5.455 1.00 0.00 O ATOM 1255 CB GLU A 82 117.347 8.862 3.079 1.00 0.00 C ATOM 1256 CG GLU A 82 117.783 9.872 2.015 1.00 0.00 C ATOM 1257 CD GLU A 82 119.037 9.354 1.308 1.00 0.00 C ATOM 1258 OE1 GLU A 82 120.076 9.304 1.946 1.00 0.00 O ATOM 1259 OE2 GLU A 82 118.938 9.017 0.139 1.00 0.00 O ATOM 0 H GLU A 82 117.979 6.810 4.362 1.00 0.00 H new ATOM 0 HA GLU A 82 119.167 9.564 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.335 7.857 2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 82 116.332 9.082 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 82 116.981 10.025 1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 82 117.985 10.839 2.476 1.00 0.00 H new ATOM 1266 N GLY A 83 117.655 8.800 6.615 1.00 0.00 N ATOM 1267 CA GLY A 83 116.987 9.313 7.849 1.00 0.00 C ATOM 1268 C GLY A 83 115.504 9.555 7.563 1.00 0.00 C ATOM 1269 O GLY A 83 114.937 10.548 7.973 1.00 0.00 O ATOM 0 H GLY A 83 118.128 7.902 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 83 117.099 8.595 8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 83 117.461 10.239 8.174 1.00 0.00 H new ATOM 1273 N PHE A 84 114.877 8.655 6.858 1.00 0.00 N ATOM 1274 CA PHE A 84 113.431 8.828 6.537 1.00 0.00 C ATOM 1275 C PHE A 84 112.595 7.793 7.295 1.00 0.00 C ATOM 1276 O PHE A 84 112.475 6.657 6.883 1.00 0.00 O ATOM 1277 CB PHE A 84 113.339 8.595 5.028 1.00 0.00 C ATOM 1278 CG PHE A 84 112.343 9.556 4.423 1.00 0.00 C ATOM 1279 CD1 PHE A 84 112.437 10.928 4.691 1.00 0.00 C ATOM 1280 CD2 PHE A 84 111.328 9.074 3.591 1.00 0.00 C ATOM 1281 CE1 PHE A 84 111.514 11.816 4.127 1.00 0.00 C ATOM 1282 CE2 PHE A 84 110.404 9.961 3.027 1.00 0.00 C ATOM 1283 CZ PHE A 84 110.497 11.333 3.296 1.00 0.00 C ATOM 0 H PHE A 84 115.304 7.805 6.489 1.00 0.00 H new ATOM 0 HA PHE A 84 113.053 9.809 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 84 114.318 8.734 4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 84 113.036 7.568 4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 84 113.222 11.300 5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 84 111.257 8.017 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 84 111.587 12.874 4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 84 109.620 9.588 2.385 1.00 0.00 H new ATOM 0 HZ PHE A 84 109.784 12.018 2.862 1.00 0.00 H new ATOM 1293 N LEU A 85 112.018 8.180 8.402 1.00 0.00 N ATOM 1294 CA LEU A 85 111.192 7.218 9.190 1.00 0.00 C ATOM 1295 C LEU A 85 109.767 7.159 8.633 1.00 0.00 C ATOM 1296 O LEU A 85 109.130 6.124 8.648 1.00 0.00 O ATOM 1297 CB LEU A 85 111.189 7.770 10.618 1.00 0.00 C ATOM 1298 CG LEU A 85 111.421 6.628 11.609 1.00 0.00 C ATOM 1299 CD1 LEU A 85 111.510 7.195 13.027 1.00 0.00 C ATOM 1300 CD2 LEU A 85 110.255 5.640 11.531 1.00 0.00 C ATOM 0 H LEU A 85 112.083 9.119 8.794 1.00 0.00 H new ATOM 0 HA LEU A 85 111.590 6.204 9.147 1.00 0.00 H new ATOM 0 HB2 LEU A 85 111.967 8.525 10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 85 110.238 8.260 10.828 1.00 0.00 H new ATOM 0 HG LEU A 85 112.351 6.116 11.361 1.00 0.00 H new ATOM 0 HD11 LEU A 85 111.675 6.382 13.734 1.00 0.00 H new ATOM 0 HD12 LEU A 85 112.339 7.901 13.085 1.00 0.00 H new ATOM 0 HD13 LEU A 85 110.580 7.707 13.273 1.00 0.00 H new ATOM 0 HD21 LEU A 85 110.420 4.826 12.237 1.00 0.00 H new ATOM 0 HD22 LEU A 85 109.326 6.153 11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 85 110.187 5.236 10.521 1.00 0.00 H new ATOM 1312 N ASP A 86 109.260 8.261 8.142 1.00 0.00 N ATOM 1313 CA ASP A 86 107.870 8.265 7.586 1.00 0.00 C ATOM 1314 C ASP A 86 107.690 7.126 6.575 1.00 0.00 C ATOM 1315 O ASP A 86 106.699 6.421 6.596 1.00 0.00 O ATOM 1316 CB ASP A 86 107.691 9.634 6.908 1.00 0.00 C ATOM 1317 CG ASP A 86 108.897 9.969 6.017 1.00 0.00 C ATOM 1318 OD1 ASP A 86 109.759 9.122 5.862 1.00 0.00 O ATOM 1319 OD2 ASP A 86 108.932 11.075 5.506 1.00 0.00 O ATOM 0 H ASP A 86 109.746 9.157 8.101 1.00 0.00 H new ATOM 0 HA ASP A 86 107.125 8.110 8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 86 106.781 9.630 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 86 107.569 10.407 7.667 1.00 0.00 H new ATOM 1324 N THR A 87 108.639 6.931 5.700 1.00 0.00 N ATOM 1325 CA THR A 87 108.518 5.829 4.704 1.00 0.00 C ATOM 1326 C THR A 87 108.812 4.491 5.386 1.00 0.00 C ATOM 1327 O THR A 87 108.258 3.467 5.033 1.00 0.00 O ATOM 1328 CB THR A 87 109.566 6.142 3.631 1.00 0.00 C ATOM 1329 OG1 THR A 87 109.195 7.333 2.949 1.00 0.00 O ATOM 1330 CG2 THR A 87 109.651 4.985 2.631 1.00 0.00 C ATOM 0 H THR A 87 109.492 7.487 5.632 1.00 0.00 H new ATOM 0 HA THR A 87 107.520 5.757 4.273 1.00 0.00 H new ATOM 0 HB THR A 87 110.539 6.275 4.104 1.00 0.00 H new ATOM 0 HG1 THR A 87 109.499 8.111 3.461 1.00 0.00 H new ATOM 0 HG21 THR A 87 110.398 5.215 1.871 1.00 0.00 H new ATOM 0 HG22 THR A 87 109.935 4.072 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 87 108.681 4.844 2.155 1.00 0.00 H new ATOM 1338 N LEU A 88 109.671 4.497 6.369 1.00 0.00 N ATOM 1339 CA LEU A 88 109.994 3.230 7.088 1.00 0.00 C ATOM 1340 C LEU A 88 108.722 2.668 7.725 1.00 0.00 C ATOM 1341 O LEU A 88 108.502 1.473 7.750 1.00 0.00 O ATOM 1342 CB LEU A 88 111.007 3.625 8.162 1.00 0.00 C ATOM 1343 CG LEU A 88 111.875 2.418 8.517 1.00 0.00 C ATOM 1344 CD1 LEU A 88 112.879 2.161 7.392 1.00 0.00 C ATOM 1345 CD2 LEU A 88 112.630 2.699 9.818 1.00 0.00 C ATOM 0 H LEU A 88 110.163 5.324 6.706 1.00 0.00 H new ATOM 0 HA LEU A 88 110.394 2.462 6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 88 111.632 4.442 7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 88 110.488 3.986 9.050 1.00 0.00 H new ATOM 0 HG LEU A 88 111.241 1.541 8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 88 113.498 1.300 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 88 112.343 1.961 6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 88 113.513 3.038 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 88 113.249 1.839 10.072 1.00 0.00 H new ATOM 0 HD22 LEU A 88 113.263 3.577 9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 88 111.916 2.882 10.621 1.00 0.00 H new ATOM 1357 N VAL A 89 107.877 3.529 8.229 1.00 0.00 N ATOM 1358 CA VAL A 89 106.609 3.054 8.852 1.00 0.00 C ATOM 1359 C VAL A 89 105.698 2.476 7.768 1.00 0.00 C ATOM 1360 O VAL A 89 105.100 1.431 7.936 1.00 0.00 O ATOM 1361 CB VAL A 89 105.978 4.301 9.477 1.00 0.00 C ATOM 1362 CG1 VAL A 89 104.637 3.936 10.116 1.00 0.00 C ATOM 1363 CG2 VAL A 89 106.913 4.860 10.549 1.00 0.00 C ATOM 0 H VAL A 89 108.011 4.540 8.236 1.00 0.00 H new ATOM 0 HA VAL A 89 106.771 2.273 9.595 1.00 0.00 H new ATOM 0 HB VAL A 89 105.817 5.050 8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 89 104.191 4.826 10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 89 103.968 3.536 9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 89 104.795 3.185 10.890 1.00 0.00 H new ATOM 0 HG21 VAL A 89 106.465 5.748 10.995 1.00 0.00 H new ATOM 0 HG22 VAL A 89 107.073 4.107 11.321 1.00 0.00 H new ATOM 0 HG23 VAL A 89 107.869 5.124 10.096 1.00 0.00 H new ATOM 1373 N VAL A 90 105.592 3.151 6.654 1.00 0.00 N ATOM 1374 CA VAL A 90 104.727 2.651 5.550 1.00 0.00 C ATOM 1375 C VAL A 90 105.159 1.240 5.138 1.00 0.00 C ATOM 1376 O VAL A 90 104.338 0.377 4.897 1.00 0.00 O ATOM 1377 CB VAL A 90 104.936 3.640 4.399 1.00 0.00 C ATOM 1378 CG1 VAL A 90 104.093 3.214 3.194 1.00 0.00 C ATOM 1379 CG2 VAL A 90 104.512 5.042 4.845 1.00 0.00 C ATOM 0 H VAL A 90 106.070 4.031 6.462 1.00 0.00 H new ATOM 0 HA VAL A 90 103.679 2.588 5.842 1.00 0.00 H new ATOM 0 HB VAL A 90 105.990 3.649 4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 90 104.244 3.919 2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 90 104.395 2.217 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 90 103.039 3.202 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 90 104.661 5.745 4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 90 103.459 5.031 5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 90 105.114 5.349 5.700 1.00 0.00 H new ATOM 1389 N LEU A 91 106.442 1.002 5.058 1.00 0.00 N ATOM 1390 CA LEU A 91 106.927 -0.353 4.664 1.00 0.00 C ATOM 1391 C LEU A 91 106.428 -1.399 5.665 1.00 0.00 C ATOM 1392 O LEU A 91 105.835 -2.393 5.293 1.00 0.00 O ATOM 1393 CB LEU A 91 108.454 -0.257 4.694 1.00 0.00 C ATOM 1394 CG LEU A 91 108.956 0.297 3.359 1.00 0.00 C ATOM 1395 CD1 LEU A 91 110.179 1.185 3.599 1.00 0.00 C ATOM 1396 CD2 LEU A 91 109.343 -0.863 2.439 1.00 0.00 C ATOM 0 H LEU A 91 107.174 1.687 5.248 1.00 0.00 H new ATOM 0 HA LEU A 91 106.563 -0.655 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 91 108.772 0.390 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 91 108.887 -1.240 4.878 1.00 0.00 H new ATOM 0 HG LEU A 91 108.166 0.886 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 91 110.535 1.579 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 91 109.905 2.012 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 91 110.969 0.598 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 91 109.701 -0.469 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 91 110.132 -1.452 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 91 108.473 -1.496 2.265 1.00 0.00 H new ATOM 1408 N HIS A 92 106.653 -1.176 6.933 1.00 0.00 N ATOM 1409 CA HIS A 92 106.181 -2.153 7.956 1.00 0.00 C ATOM 1410 C HIS A 92 104.658 -2.074 8.083 1.00 0.00 C ATOM 1411 O HIS A 92 103.998 -3.045 8.399 1.00 0.00 O ATOM 1412 CB HIS A 92 106.852 -1.724 9.263 1.00 0.00 C ATOM 1413 CG HIS A 92 107.222 -2.943 10.063 1.00 0.00 C ATOM 1414 ND1 HIS A 92 107.425 -2.894 11.433 1.00 0.00 N ATOM 1415 CD2 HIS A 92 107.430 -4.252 9.700 1.00 0.00 C ATOM 1416 CE1 HIS A 92 107.739 -4.137 11.842 1.00 0.00 C ATOM 1417 NE2 HIS A 92 107.757 -5.003 10.825 1.00 0.00 N ATOM 0 H HIS A 92 107.142 -0.361 7.303 1.00 0.00 H new ATOM 0 HA HIS A 92 106.431 -3.181 7.695 1.00 0.00 H new ATOM 0 HB2 HIS A 92 107.742 -1.132 9.050 1.00 0.00 H new ATOM 0 HB3 HIS A 92 106.178 -1.089 9.839 1.00 0.00 H new ATOM 0 HD2 HIS A 92 107.352 -4.639 8.695 1.00 0.00 H new ATOM 0 HE1 HIS A 92 107.951 -4.402 12.867 1.00 0.00 H new ATOM 0 HE2 HIS A 92 107.966 -6.001 10.865 1.00 0.00 H new ATOM 1425 N ARG A 93 104.097 -0.922 7.830 1.00 0.00 N ATOM 1426 CA ARG A 93 102.616 -0.769 7.926 1.00 0.00 C ATOM 1427 C ARG A 93 101.936 -1.574 6.815 1.00 0.00 C ATOM 1428 O ARG A 93 101.122 -2.439 7.071 1.00 0.00 O ATOM 1429 CB ARG A 93 102.362 0.728 7.737 1.00 0.00 C ATOM 1430 CG ARG A 93 100.876 1.028 7.934 1.00 0.00 C ATOM 1431 CD ARG A 93 100.691 2.514 8.256 1.00 0.00 C ATOM 1432 NE ARG A 93 101.265 3.241 7.088 1.00 0.00 N ATOM 1433 CZ ARG A 93 101.279 4.545 7.075 1.00 0.00 C ATOM 1434 NH1 ARG A 93 101.579 5.206 8.160 1.00 0.00 N ATOM 1435 NH2 ARG A 93 100.994 5.190 5.977 1.00 0.00 N ATOM 0 H ARG A 93 104.602 -0.078 7.560 1.00 0.00 H new ATOM 0 HA ARG A 93 102.219 -1.132 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 93 102.956 1.300 8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 93 102.676 1.037 6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 93 100.320 0.769 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 93 100.475 0.417 8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 93 99.638 2.759 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 93 101.204 2.784 9.179 1.00 0.00 H new ATOM 0 HE ARG A 93 101.647 2.719 6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 93 101.803 4.703 9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 93 101.590 6.226 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 93 100.760 4.674 5.129 1.00 0.00 H new ATOM 0 HH22 ARG A 93 101.005 6.210 5.967 1.00 0.00 H new ATOM 1449 N ALA A 94 102.266 -1.293 5.583 1.00 0.00 N ATOM 1450 CA ALA A 94 101.648 -2.032 4.451 1.00 0.00 C ATOM 1451 C ALA A 94 102.162 -3.474 4.412 1.00 0.00 C ATOM 1452 O ALA A 94 101.405 -4.417 4.545 1.00 0.00 O ATOM 1453 CB ALA A 94 102.080 -1.274 3.196 1.00 0.00 C ATOM 0 H ALA A 94 102.942 -0.578 5.313 1.00 0.00 H new ATOM 0 HA ALA A 94 100.563 -2.086 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 94 101.662 -1.761 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 94 101.719 -0.247 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 94 103.168 -1.273 3.128 1.00 0.00 H new ATOM 1459 N GLY A 95 103.443 -3.651 4.227 1.00 0.00 N ATOM 1460 CA GLY A 95 104.012 -5.030 4.177 1.00 0.00 C ATOM 1461 C GLY A 95 105.472 -4.964 3.728 1.00 0.00 C ATOM 1462 O GLY A 95 105.766 -4.738 2.570 1.00 0.00 O ATOM 0 H GLY A 95 104.122 -2.899 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 95 103.943 -5.499 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 95 103.436 -5.648 3.488 1.00 0.00 H new ATOM 1466 N ALA A 96 106.392 -5.160 4.636 1.00 0.00 N ATOM 1467 CA ALA A 96 107.837 -5.110 4.262 1.00 0.00 C ATOM 1468 C ALA A 96 108.699 -5.655 5.404 1.00 0.00 C ATOM 1469 O ALA A 96 108.517 -5.305 6.555 1.00 0.00 O ATOM 1470 CB ALA A 96 108.131 -3.628 4.026 1.00 0.00 C ATOM 0 H ALA A 96 106.206 -5.352 5.620 1.00 0.00 H new ATOM 0 HA ALA A 96 108.059 -5.715 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 96 109.177 -3.505 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 96 107.494 -3.254 3.224 1.00 0.00 H new ATOM 0 HB3 ALA A 96 107.932 -3.068 4.939 1.00 0.00 H new ATOM 1476 N ARG A 97 109.637 -6.511 5.094 1.00 0.00 N ATOM 1477 CA ARG A 97 110.513 -7.082 6.158 1.00 0.00 C ATOM 1478 C ARG A 97 111.382 -5.982 6.777 1.00 0.00 C ATOM 1479 O ARG A 97 111.539 -4.914 6.220 1.00 0.00 O ATOM 1480 CB ARG A 97 111.384 -8.120 5.442 1.00 0.00 C ATOM 1481 CG ARG A 97 112.458 -8.648 6.399 1.00 0.00 C ATOM 1482 CD ARG A 97 113.043 -9.952 5.851 1.00 0.00 C ATOM 1483 NE ARG A 97 114.396 -9.597 5.360 1.00 0.00 N ATOM 1484 CZ ARG A 97 115.301 -10.528 5.220 1.00 0.00 C ATOM 1485 NH1 ARG A 97 115.608 -11.293 6.232 1.00 0.00 N ATOM 1486 NH2 ARG A 97 115.896 -10.695 4.071 1.00 0.00 N ATOM 0 H ARG A 97 109.834 -6.839 4.149 1.00 0.00 H new ATOM 0 HA ARG A 97 109.939 -7.525 6.971 1.00 0.00 H new ATOM 0 HB2 ARG A 97 110.765 -8.944 5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.853 -7.672 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 97 113.248 -7.906 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 97 112.027 -8.818 7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.094 -10.717 6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 97 112.425 -10.353 5.047 1.00 0.00 H new ATOM 0 HE ARG A 97 114.619 -8.628 5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 97 115.141 -11.163 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 97 116.315 -12.021 6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 97 115.655 -10.098 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 97 116.603 -11.423 3.964 1.00 0.00 H new ATOM 1500 N LEU A 98 111.949 -6.242 7.923 1.00 0.00 N ATOM 1501 CA LEU A 98 112.814 -5.223 8.585 1.00 0.00 C ATOM 1502 C LEU A 98 113.919 -5.917 9.385 1.00 0.00 C ATOM 1503 O LEU A 98 114.154 -5.605 10.536 1.00 0.00 O ATOM 1504 CB LEU A 98 111.878 -4.451 9.515 1.00 0.00 C ATOM 1505 CG LEU A 98 112.246 -2.966 9.494 1.00 0.00 C ATOM 1506 CD1 LEU A 98 111.568 -2.288 8.303 1.00 0.00 C ATOM 1507 CD2 LEU A 98 111.774 -2.305 10.791 1.00 0.00 C ATOM 0 H LEU A 98 111.850 -7.120 8.432 1.00 0.00 H new ATOM 0 HA LEU A 98 113.304 -4.564 7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 98 110.843 -4.584 9.199 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.954 -4.841 10.530 1.00 0.00 H new ATOM 0 HG LEU A 98 113.327 -2.862 9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 98 111.831 -1.230 8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.903 -2.758 7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.487 -2.392 8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 98 112.036 -1.247 10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.693 -2.410 10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 98 112.257 -2.787 11.641 1.00 0.00 H new ATOM 1519 N ASP A 99 114.597 -6.857 8.783 1.00 0.00 N ATOM 1520 CA ASP A 99 115.687 -7.577 9.501 1.00 0.00 C ATOM 1521 C ASP A 99 116.640 -8.227 8.493 1.00 0.00 C ATOM 1522 O ASP A 99 116.954 -9.398 8.585 1.00 0.00 O ATOM 1523 CB ASP A 99 114.974 -8.645 10.334 1.00 0.00 C ATOM 1524 CG ASP A 99 115.976 -9.329 11.270 1.00 0.00 C ATOM 1525 OD1 ASP A 99 117.025 -8.753 11.510 1.00 0.00 O ATOM 1526 OD2 ASP A 99 115.675 -10.417 11.732 1.00 0.00 O ATOM 0 H ASP A 99 114.442 -7.158 7.821 1.00 0.00 H new ATOM 0 HA ASP A 99 116.286 -6.911 10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 99 114.172 -8.190 10.915 1.00 0.00 H new ATOM 0 HB3 ASP A 99 114.513 -9.383 9.678 1.00 0.00 H new ATOM 1531 N VAL A 100 117.096 -7.472 7.531 1.00 0.00 N ATOM 1532 CA VAL A 100 118.027 -8.035 6.509 1.00 0.00 C ATOM 1533 C VAL A 100 119.332 -7.234 6.485 1.00 0.00 C ATOM 1534 O VAL A 100 119.427 -6.169 7.063 1.00 0.00 O ATOM 1535 CB VAL A 100 117.286 -7.887 5.176 1.00 0.00 C ATOM 1536 CG1 VAL A 100 117.046 -6.407 4.876 1.00 0.00 C ATOM 1537 CG2 VAL A 100 118.120 -8.515 4.059 1.00 0.00 C ATOM 0 H VAL A 100 116.864 -6.486 7.408 1.00 0.00 H new ATOM 0 HA VAL A 100 118.292 -9.071 6.718 1.00 0.00 H new ATOM 0 HB VAL A 100 116.324 -8.395 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 100 116.519 -6.309 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 100 116.445 -5.967 5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 100 118.003 -5.888 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 100 117.594 -8.411 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 100 119.084 -8.010 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 100 118.277 -9.572 4.273 1.00 0.00 H new ATOM 1547 N CYS A 101 120.335 -7.732 5.812 1.00 0.00 N ATOM 1548 CA CYS A 101 121.631 -6.995 5.737 1.00 0.00 C ATOM 1549 C CYS A 101 122.108 -6.962 4.288 1.00 0.00 C ATOM 1550 O CYS A 101 121.601 -7.677 3.446 1.00 0.00 O ATOM 1551 CB CYS A 101 122.634 -7.775 6.605 1.00 0.00 C ATOM 1552 SG CYS A 101 121.771 -8.737 7.879 1.00 0.00 S ATOM 0 H CYS A 101 120.313 -8.619 5.310 1.00 0.00 H new ATOM 0 HA CYS A 101 121.530 -5.968 6.089 1.00 0.00 H new ATOM 0 HB2 CYS A 101 123.224 -8.442 5.977 1.00 0.00 H new ATOM 0 HB3 CYS A 101 123.331 -7.082 7.076 1.00 0.00 H new ATOM 0 HG CYS A 101 122.642 -9.285 8.674 1.00 0.00 H new ATOM 1558 N ASP A 102 123.078 -6.145 3.987 1.00 0.00 N ATOM 1559 CA ASP A 102 123.582 -6.081 2.586 1.00 0.00 C ATOM 1560 C ASP A 102 124.338 -7.368 2.247 1.00 0.00 C ATOM 1561 O ASP A 102 125.547 -7.377 2.135 1.00 0.00 O ATOM 1562 CB ASP A 102 124.521 -4.874 2.554 1.00 0.00 C ATOM 1563 CG ASP A 102 124.475 -4.227 1.169 1.00 0.00 C ATOM 1564 OD1 ASP A 102 124.334 -4.957 0.201 1.00 0.00 O ATOM 1565 OD2 ASP A 102 124.582 -3.014 1.100 1.00 0.00 O ATOM 0 H ASP A 102 123.542 -5.521 4.647 1.00 0.00 H new ATOM 0 HA ASP A 102 122.778 -5.982 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 102 124.227 -4.151 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 102 125.539 -5.186 2.788 1.00 0.00 H new ATOM 1570 N ALA A 103 123.625 -8.455 2.087 1.00 0.00 N ATOM 1571 CA ALA A 103 124.278 -9.761 1.762 1.00 0.00 C ATOM 1572 C ALA A 103 125.243 -10.159 2.883 1.00 0.00 C ATOM 1573 O ALA A 103 124.922 -10.968 3.733 1.00 0.00 O ATOM 1574 CB ALA A 103 125.036 -9.536 0.448 1.00 0.00 C ATOM 0 H ALA A 103 122.609 -8.494 2.168 1.00 0.00 H new ATOM 0 HA ALA A 103 123.550 -10.566 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 103 125.538 -10.458 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 103 124.333 -9.241 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 103 125.777 -8.748 0.585 1.00 0.00 H new ATOM 1580 N TRP A 104 126.415 -9.588 2.897 1.00 0.00 N ATOM 1581 CA TRP A 104 127.404 -9.916 3.962 1.00 0.00 C ATOM 1582 C TRP A 104 128.010 -8.622 4.512 1.00 0.00 C ATOM 1583 O TRP A 104 129.128 -8.603 4.990 1.00 0.00 O ATOM 1584 CB TRP A 104 128.475 -10.769 3.270 1.00 0.00 C ATOM 1585 CG TRP A 104 129.041 -10.023 2.102 1.00 0.00 C ATOM 1586 CD1 TRP A 104 129.875 -8.961 2.186 1.00 0.00 C ATOM 1587 CD2 TRP A 104 128.829 -10.263 0.679 1.00 0.00 C ATOM 1588 NE1 TRP A 104 130.185 -8.531 0.909 1.00 0.00 N ATOM 1589 CE2 TRP A 104 129.564 -9.301 -0.054 1.00 0.00 C ATOM 1590 CE3 TRP A 104 128.077 -11.210 -0.039 1.00 0.00 C ATOM 1591 CZ2 TRP A 104 129.553 -9.280 -1.449 1.00 0.00 C ATOM 1592 CZ3 TRP A 104 128.064 -11.191 -1.444 1.00 0.00 C ATOM 1593 CH2 TRP A 104 128.800 -10.228 -2.147 1.00 0.00 C ATOM 0 H TRP A 104 126.733 -8.903 2.211 1.00 0.00 H new ATOM 0 HA TRP A 104 126.956 -10.446 4.802 1.00 0.00 H new ATOM 0 HB2 TRP A 104 129.269 -11.015 3.975 1.00 0.00 H new ATOM 0 HB3 TRP A 104 128.042 -11.712 2.936 1.00 0.00 H new ATOM 0 HD1 TRP A 104 130.240 -8.520 3.102 1.00 0.00 H new ATOM 0 HE1 TRP A 104 130.797 -7.742 0.704 1.00 0.00 H new ATOM 0 HE3 TRP A 104 127.506 -11.957 0.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 130.123 -8.536 -1.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 127.483 -11.923 -1.985 1.00 0.00 H new ATOM 0 HH2 TRP A 104 128.785 -10.218 -3.227 1.00 0.00 H new ATOM 1604 N GLY A 105 127.283 -7.535 4.434 1.00 0.00 N ATOM 1605 CA GLY A 105 127.824 -6.240 4.936 1.00 0.00 C ATOM 1606 C GLY A 105 127.062 -5.784 6.182 1.00 0.00 C ATOM 1607 O GLY A 105 126.746 -6.570 7.053 1.00 0.00 O ATOM 0 H GLY A 105 126.341 -7.491 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 105 128.883 -6.349 5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 105 127.746 -5.481 4.158 1.00 0.00 H new ATOM 1611 N ARG A 106 126.782 -4.510 6.276 1.00 0.00 N ATOM 1612 CA ARG A 106 126.059 -3.982 7.469 1.00 0.00 C ATOM 1613 C ARG A 106 124.546 -4.168 7.322 1.00 0.00 C ATOM 1614 O ARG A 106 124.075 -4.856 6.438 1.00 0.00 O ATOM 1615 CB ARG A 106 126.410 -2.493 7.513 1.00 0.00 C ATOM 1616 CG ARG A 106 126.757 -2.086 8.945 1.00 0.00 C ATOM 1617 CD ARG A 106 127.079 -0.590 8.986 1.00 0.00 C ATOM 1618 NE ARG A 106 128.304 -0.482 9.824 1.00 0.00 N ATOM 1619 CZ ARG A 106 128.199 -0.331 11.115 1.00 0.00 C ATOM 1620 NH1 ARG A 106 127.765 0.797 11.605 1.00 0.00 N ATOM 1621 NH2 ARG A 106 128.527 -1.308 11.916 1.00 0.00 N ATOM 0 H ARG A 106 127.024 -3.811 5.574 1.00 0.00 H new ATOM 0 HA ARG A 106 126.347 -4.505 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 106 127.253 -2.289 6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 106 125.570 -1.901 7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 106 125.922 -2.308 9.610 1.00 0.00 H new ATOM 0 HG3 ARG A 106 127.610 -2.663 9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 106 127.250 -0.196 7.984 1.00 0.00 H new ATOM 0 HD3 ARG A 106 126.255 -0.021 9.416 1.00 0.00 H new ATOM 0 HE ARG A 106 129.225 -0.526 9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 106 127.508 1.560 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 106 127.682 0.916 12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 106 128.866 -2.190 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 106 128.445 -1.189 12.926 1.00 0.00 H new ATOM 1635 N LEU A 107 123.788 -3.553 8.189 1.00 0.00 N ATOM 1636 CA LEU A 107 122.303 -3.677 8.124 1.00 0.00 C ATOM 1637 C LEU A 107 121.674 -2.296 7.905 1.00 0.00 C ATOM 1638 O LEU A 107 122.371 -1.301 7.881 1.00 0.00 O ATOM 1639 CB LEU A 107 121.902 -4.236 9.491 1.00 0.00 C ATOM 1640 CG LEU A 107 121.628 -5.736 9.375 1.00 0.00 C ATOM 1641 CD1 LEU A 107 122.877 -6.511 9.800 1.00 0.00 C ATOM 1642 CD2 LEU A 107 120.459 -6.111 10.288 1.00 0.00 C ATOM 0 H LEU A 107 124.137 -2.965 8.946 1.00 0.00 H new ATOM 0 HA LEU A 107 121.970 -4.315 7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 107 122.697 -4.057 10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 107 121.014 -3.722 9.859 1.00 0.00 H new ATOM 0 HG LEU A 107 121.377 -5.985 8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 107 122.686 -7.581 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 107 123.711 -6.241 9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 107 123.125 -6.264 10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 107 120.262 -7.180 10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 107 120.710 -5.866 11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 107 119.571 -5.555 9.989 1.00 0.00 H new ATOM 1654 N PRO A 108 120.373 -2.272 7.756 1.00 0.00 N ATOM 1655 CA PRO A 108 119.665 -0.986 7.543 1.00 0.00 C ATOM 1656 C PRO A 108 119.662 -0.162 8.834 1.00 0.00 C ATOM 1657 O PRO A 108 119.603 1.052 8.807 1.00 0.00 O ATOM 1658 CB PRO A 108 118.249 -1.413 7.165 1.00 0.00 C ATOM 1659 CG PRO A 108 118.085 -2.772 7.767 1.00 0.00 C ATOM 1660 CD PRO A 108 119.446 -3.414 7.772 1.00 0.00 C ATOM 0 HA PRO A 108 120.131 -0.359 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 108 117.508 -0.715 7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 108 118.120 -1.442 6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 108 117.688 -2.701 8.780 1.00 0.00 H new ATOM 0 HG3 PRO A 108 117.379 -3.368 7.189 1.00 0.00 H new ATOM 0 HD2 PRO A 108 119.592 -4.035 8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.588 -4.057 6.903 1.00 0.00 H new ATOM 1668 N VAL A 109 119.726 -0.815 9.963 1.00 0.00 N ATOM 1669 CA VAL A 109 119.729 -0.075 11.258 1.00 0.00 C ATOM 1670 C VAL A 109 121.118 0.514 11.532 1.00 0.00 C ATOM 1671 O VAL A 109 121.248 1.607 12.046 1.00 0.00 O ATOM 1672 CB VAL A 109 119.360 -1.122 12.314 1.00 0.00 C ATOM 1673 CG1 VAL A 109 120.464 -2.178 12.413 1.00 0.00 C ATOM 1674 CG2 VAL A 109 119.190 -0.435 13.671 1.00 0.00 C ATOM 0 H VAL A 109 119.776 -1.830 10.045 1.00 0.00 H new ATOM 0 HA VAL A 109 119.031 0.762 11.258 1.00 0.00 H new ATOM 0 HB VAL A 109 118.427 -1.607 12.027 1.00 0.00 H new ATOM 0 HG11 VAL A 109 120.193 -2.918 13.166 1.00 0.00 H new ATOM 0 HG12 VAL A 109 120.585 -2.670 11.448 1.00 0.00 H new ATOM 0 HG13 VAL A 109 121.401 -1.699 12.696 1.00 0.00 H new ATOM 0 HG21 VAL A 109 118.927 -1.178 14.424 1.00 0.00 H new ATOM 0 HG22 VAL A 109 120.124 0.052 13.952 1.00 0.00 H new ATOM 0 HG23 VAL A 109 118.398 0.310 13.605 1.00 0.00 H new ATOM 1684 N ASP A 110 122.154 -0.205 11.192 1.00 0.00 N ATOM 1685 CA ASP A 110 123.535 0.310 11.431 1.00 0.00 C ATOM 1686 C ASP A 110 123.804 1.533 10.550 1.00 0.00 C ATOM 1687 O ASP A 110 124.375 2.513 10.989 1.00 0.00 O ATOM 1688 CB ASP A 110 124.465 -0.843 11.047 1.00 0.00 C ATOM 1689 CG ASP A 110 124.181 -2.051 11.942 1.00 0.00 C ATOM 1690 OD1 ASP A 110 123.808 -1.845 13.085 1.00 0.00 O ATOM 1691 OD2 ASP A 110 124.342 -3.165 11.468 1.00 0.00 O ATOM 0 H ASP A 110 122.104 -1.127 10.759 1.00 0.00 H new ATOM 0 HA ASP A 110 123.683 0.624 12.464 1.00 0.00 H new ATOM 0 HB2 ASP A 110 124.317 -1.110 10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 110 125.505 -0.535 11.153 1.00 0.00 H new ATOM 1696 N LEU A 111 123.396 1.483 9.309 1.00 0.00 N ATOM 1697 CA LEU A 111 123.627 2.644 8.396 1.00 0.00 C ATOM 1698 C LEU A 111 122.943 3.896 8.951 1.00 0.00 C ATOM 1699 O LEU A 111 123.450 4.995 8.835 1.00 0.00 O ATOM 1700 CB LEU A 111 122.997 2.234 7.064 1.00 0.00 C ATOM 1701 CG LEU A 111 123.798 2.843 5.913 1.00 0.00 C ATOM 1702 CD1 LEU A 111 123.331 2.237 4.588 1.00 0.00 C ATOM 1703 CD2 LEU A 111 123.578 4.357 5.886 1.00 0.00 C ATOM 0 H LEU A 111 122.913 0.690 8.887 1.00 0.00 H new ATOM 0 HA LEU A 111 124.686 2.881 8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 111 122.982 1.148 6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 111 121.962 2.572 7.020 1.00 0.00 H new ATOM 0 HG LEU A 111 124.858 2.631 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 111 123.902 2.672 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 111 123.486 1.158 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 111 122.271 2.449 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 111 124.148 4.793 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 111 122.518 4.568 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 111 123.910 4.790 6.830 1.00 0.00 H new ATOM 1715 N ALA A 112 121.797 3.736 9.558 1.00 0.00 N ATOM 1716 CA ALA A 112 121.080 4.915 10.124 1.00 0.00 C ATOM 1717 C ALA A 112 121.938 5.583 11.200 1.00 0.00 C ATOM 1718 O ALA A 112 122.293 6.742 11.094 1.00 0.00 O ATOM 1719 CB ALA A 112 119.801 4.345 10.739 1.00 0.00 C ATOM 0 H ALA A 112 121.327 2.840 9.686 1.00 0.00 H new ATOM 0 HA ALA A 112 120.866 5.671 9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 112 119.217 5.154 11.178 1.00 0.00 H new ATOM 0 HB2 ALA A 112 119.214 3.852 9.965 1.00 0.00 H new ATOM 0 HB3 ALA A 112 120.060 3.623 11.513 1.00 0.00 H new ATOM 1725 N GLU A 113 122.275 4.860 12.235 1.00 0.00 N ATOM 1726 CA GLU A 113 123.110 5.442 13.325 1.00 0.00 C ATOM 1727 C GLU A 113 124.378 6.081 12.746 1.00 0.00 C ATOM 1728 O GLU A 113 124.935 6.999 13.314 1.00 0.00 O ATOM 1729 CB GLU A 113 123.468 4.260 14.226 1.00 0.00 C ATOM 1730 CG GLU A 113 122.201 3.733 14.904 1.00 0.00 C ATOM 1731 CD GLU A 113 122.561 2.569 15.829 1.00 0.00 C ATOM 1732 OE1 GLU A 113 123.429 1.794 15.463 1.00 0.00 O ATOM 1733 OE2 GLU A 113 121.964 2.474 16.889 1.00 0.00 O ATOM 0 H GLU A 113 122.006 3.886 12.372 1.00 0.00 H new ATOM 0 HA GLU A 113 122.584 6.226 13.870 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.935 3.469 13.638 1.00 0.00 H new ATOM 0 HB3 GLU A 113 124.194 4.569 14.978 1.00 0.00 H new ATOM 0 HG2 GLU A 113 121.723 4.530 15.474 1.00 0.00 H new ATOM 0 HG3 GLU A 113 121.483 3.405 14.152 1.00 0.00 H new ATOM 1740 N GLU A 114 124.834 5.602 11.619 1.00 0.00 N ATOM 1741 CA GLU A 114 126.064 6.182 11.004 1.00 0.00 C ATOM 1742 C GLU A 114 125.819 7.640 10.608 1.00 0.00 C ATOM 1743 O GLU A 114 126.651 8.500 10.822 1.00 0.00 O ATOM 1744 CB GLU A 114 126.331 5.328 9.763 1.00 0.00 C ATOM 1745 CG GLU A 114 127.831 5.316 9.462 1.00 0.00 C ATOM 1746 CD GLU A 114 128.219 6.610 8.744 1.00 0.00 C ATOM 1747 OE1 GLU A 114 127.628 6.893 7.715 1.00 0.00 O ATOM 1748 OE2 GLU A 114 129.101 7.296 9.234 1.00 0.00 O ATOM 0 H GLU A 114 124.409 4.835 11.098 1.00 0.00 H new ATOM 0 HA GLU A 114 126.910 6.176 11.691 1.00 0.00 H new ATOM 0 HB2 GLU A 114 125.974 4.311 9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 114 125.782 5.726 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 114 128.398 5.218 10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 114 128.081 4.455 8.842 1.00 0.00 H new ATOM 1755 N GLN A 115 124.682 7.924 10.031 1.00 0.00 N ATOM 1756 CA GLN A 115 124.380 9.328 9.620 1.00 0.00 C ATOM 1757 C GLN A 115 123.890 10.139 10.823 1.00 0.00 C ATOM 1758 O GLN A 115 124.131 11.326 10.921 1.00 0.00 O ATOM 1759 CB GLN A 115 123.275 9.205 8.568 1.00 0.00 C ATOM 1760 CG GLN A 115 123.615 10.084 7.361 1.00 0.00 C ATOM 1761 CD GLN A 115 123.603 11.556 7.779 1.00 0.00 C ATOM 1762 OE1 GLN A 115 122.497 12.241 7.682 1.00 0.00 O flip ATOM 1763 NE2 GLN A 115 124.612 12.088 8.199 1.00 0.00 N flip ATOM 0 H GLN A 115 123.949 7.245 9.826 1.00 0.00 H new ATOM 0 HA GLN A 115 125.259 9.841 9.229 1.00 0.00 H new ATOM 0 HB2 GLN A 115 123.170 8.166 8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 115 122.318 9.508 8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 115 124.595 9.815 6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 115 122.893 9.917 6.561 1.00 0.00 H new ATOM 0 HE21 GLN A 115 125.477 11.553 8.275 1.00 0.00 H new ATOM 0 HE22 GLN A 115 124.594 13.070 8.475 1.00 0.00 H new ATOM 1772 N GLY A 116 123.207 9.507 11.740 1.00 0.00 N ATOM 1773 CA GLY A 116 122.705 10.242 12.939 1.00 0.00 C ATOM 1774 C GLY A 116 121.175 10.193 12.977 1.00 0.00 C ATOM 1775 O GLY A 116 120.531 11.086 13.491 1.00 0.00 O ATOM 0 H GLY A 116 122.975 8.514 11.711 1.00 0.00 H new ATOM 0 HA2 GLY A 116 123.114 9.798 13.846 1.00 0.00 H new ATOM 0 HA3 GLY A 116 123.044 11.278 12.910 1.00 0.00 H new ATOM 1779 N HIS A 117 120.590 9.156 12.439 1.00 0.00 N ATOM 1780 CA HIS A 117 119.101 9.048 12.449 1.00 0.00 C ATOM 1781 C HIS A 117 118.639 8.304 13.704 1.00 0.00 C ATOM 1782 O HIS A 117 118.215 7.167 13.644 1.00 0.00 O ATOM 1783 CB HIS A 117 118.752 8.257 11.189 1.00 0.00 C ATOM 1784 CG HIS A 117 119.250 9.000 9.980 1.00 0.00 C ATOM 1785 ND1 HIS A 117 119.363 10.342 9.712 1.00 0.00 N flip ATOM 1786 CD2 HIS A 117 119.719 8.349 8.850 1.00 0.00 C flip ATOM 1787 CE1 HIS A 117 119.892 10.523 8.438 1.00 0.00 C flip ATOM 1788 NE2 HIS A 117 120.088 9.291 7.962 1.00 0.00 N flip ATOM 0 H HIS A 117 121.078 8.379 11.993 1.00 0.00 H new ATOM 0 HA HIS A 117 118.612 10.022 12.461 1.00 0.00 H new ATOM 0 HB2 HIS A 117 119.203 7.266 11.232 1.00 0.00 H new ATOM 0 HB3 HIS A 117 117.673 8.114 11.123 1.00 0.00 H new ATOM 0 HD2 HIS A 117 119.778 7.280 8.708 1.00 0.00 H new ATOM 0 HE1 HIS A 117 120.100 11.459 7.941 1.00 0.00 H new ATOM 0 HE2 HIS A 117 120.471 9.088 7.038 1.00 0.00 H new ATOM 1796 N ARG A 118 118.722 8.940 14.842 1.00 0.00 N ATOM 1797 CA ARG A 118 118.293 8.278 16.108 1.00 0.00 C ATOM 1798 C ARG A 118 116.823 7.861 16.020 1.00 0.00 C ATOM 1799 O ARG A 118 116.399 6.912 16.650 1.00 0.00 O ATOM 1800 CB ARG A 118 118.483 9.339 17.194 1.00 0.00 C ATOM 1801 CG ARG A 118 118.130 8.747 18.560 1.00 0.00 C ATOM 1802 CD ARG A 118 118.110 9.861 19.609 1.00 0.00 C ATOM 1803 NE ARG A 118 116.757 10.470 19.497 1.00 0.00 N ATOM 1804 CZ ARG A 118 116.608 11.761 19.632 1.00 0.00 C ATOM 1805 NH1 ARG A 118 117.242 12.395 20.579 1.00 0.00 N ATOM 1806 NH2 ARG A 118 115.827 12.416 18.818 1.00 0.00 N ATOM 0 H ARG A 118 119.070 9.893 14.949 1.00 0.00 H new ATOM 0 HA ARG A 118 118.867 7.374 16.313 1.00 0.00 H new ATOM 0 HB2 ARG A 118 119.514 9.692 17.195 1.00 0.00 H new ATOM 0 HB3 ARG A 118 117.851 10.203 16.987 1.00 0.00 H new ATOM 0 HG2 ARG A 118 117.157 8.257 18.516 1.00 0.00 H new ATOM 0 HG3 ARG A 118 118.858 7.985 18.837 1.00 0.00 H new ATOM 0 HD2 ARG A 118 118.283 9.464 20.609 1.00 0.00 H new ATOM 0 HD3 ARG A 118 118.891 10.597 19.418 1.00 0.00 H new ATOM 0 HE ARG A 118 115.946 9.879 19.315 1.00 0.00 H new ATOM 0 HH11 ARG A 118 117.854 11.883 21.214 1.00 0.00 H new ATOM 0 HH12 ARG A 118 117.126 13.403 20.684 1.00 0.00 H new ATOM 0 HH21 ARG A 118 115.333 11.920 18.076 1.00 0.00 H new ATOM 0 HH22 ARG A 118 115.711 13.424 18.923 1.00 0.00 H new ATOM 1820 N ASP A 119 116.042 8.563 15.243 1.00 0.00 N ATOM 1821 CA ASP A 119 114.598 8.206 15.116 1.00 0.00 C ATOM 1822 C ASP A 119 114.434 6.954 14.248 1.00 0.00 C ATOM 1823 O ASP A 119 113.637 6.084 14.545 1.00 0.00 O ATOM 1824 CB ASP A 119 113.941 9.422 14.453 1.00 0.00 C ATOM 1825 CG ASP A 119 114.580 9.679 13.085 1.00 0.00 C ATOM 1826 OD1 ASP A 119 115.780 9.894 13.045 1.00 0.00 O ATOM 1827 OD2 ASP A 119 113.857 9.658 12.103 1.00 0.00 O ATOM 0 H ASP A 119 116.340 9.367 14.691 1.00 0.00 H new ATOM 0 HA ASP A 119 114.143 7.979 16.080 1.00 0.00 H new ATOM 0 HB2 ASP A 119 112.871 9.250 14.338 1.00 0.00 H new ATOM 0 HB3 ASP A 119 114.056 10.300 15.089 1.00 0.00 H new ATOM 1832 N ILE A 120 115.182 6.852 13.180 1.00 0.00 N ATOM 1833 CA ILE A 120 115.065 5.654 12.300 1.00 0.00 C ATOM 1834 C ILE A 120 115.830 4.476 12.915 1.00 0.00 C ATOM 1835 O ILE A 120 115.435 3.333 12.792 1.00 0.00 O ATOM 1836 CB ILE A 120 115.671 6.089 10.957 1.00 0.00 C ATOM 1837 CG1 ILE A 120 114.935 5.382 9.817 1.00 0.00 C ATOM 1838 CG2 ILE A 120 117.160 5.735 10.894 1.00 0.00 C ATOM 1839 CD1 ILE A 120 114.967 6.265 8.569 1.00 0.00 C ATOM 0 H ILE A 120 115.867 7.546 12.881 1.00 0.00 H new ATOM 0 HA ILE A 120 114.036 5.317 12.176 1.00 0.00 H new ATOM 0 HB ILE A 120 115.564 7.169 10.860 1.00 0.00 H new ATOM 0 HG12 ILE A 120 115.403 4.420 9.608 1.00 0.00 H new ATOM 0 HG13 ILE A 120 113.904 5.178 10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 120 117.569 6.052 9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 120 117.689 6.243 11.700 1.00 0.00 H new ATOM 0 HG23 ILE A 120 117.283 4.657 11.003 1.00 0.00 H new ATOM 0 HD11 ILE A 120 114.443 5.764 7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 120 114.479 7.216 8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 120 116.002 6.446 8.278 1.00 0.00 H new ATOM 1851 N ALA A 121 116.921 4.751 13.582 1.00 0.00 N ATOM 1852 CA ALA A 121 117.708 3.653 14.212 1.00 0.00 C ATOM 1853 C ALA A 121 116.882 2.989 15.315 1.00 0.00 C ATOM 1854 O ALA A 121 117.038 1.818 15.602 1.00 0.00 O ATOM 1855 CB ALA A 121 118.943 4.335 14.804 1.00 0.00 C ATOM 0 H ALA A 121 117.300 5.688 13.717 1.00 0.00 H new ATOM 0 HA ALA A 121 117.979 2.874 13.499 1.00 0.00 H new ATOM 0 HB1 ALA A 121 119.574 3.589 15.287 1.00 0.00 H new ATOM 0 HB2 ALA A 121 119.504 4.825 14.009 1.00 0.00 H new ATOM 0 HB3 ALA A 121 118.632 5.077 15.539 1.00 0.00 H new ATOM 1861 N ARG A 122 116.000 3.731 15.930 1.00 0.00 N ATOM 1862 CA ARG A 122 115.154 3.148 17.012 1.00 0.00 C ATOM 1863 C ARG A 122 114.097 2.224 16.405 1.00 0.00 C ATOM 1864 O ARG A 122 113.968 1.077 16.787 1.00 0.00 O ATOM 1865 CB ARG A 122 114.492 4.348 17.696 1.00 0.00 C ATOM 1866 CG ARG A 122 114.846 4.347 19.185 1.00 0.00 C ATOM 1867 CD ARG A 122 114.261 5.597 19.849 1.00 0.00 C ATOM 1868 NE ARG A 122 115.325 6.076 20.776 1.00 0.00 N ATOM 1869 CZ ARG A 122 115.158 7.185 21.441 1.00 0.00 C ATOM 1870 NH1 ARG A 122 114.101 7.344 22.190 1.00 0.00 N ATOM 1871 NH2 ARG A 122 116.047 8.137 21.356 1.00 0.00 N ATOM 0 H ARG A 122 115.829 4.716 15.730 1.00 0.00 H new ATOM 0 HA ARG A 122 115.735 2.553 17.717 1.00 0.00 H new ATOM 0 HB2 ARG A 122 114.828 5.275 17.232 1.00 0.00 H new ATOM 0 HB3 ARG A 122 113.410 4.302 17.569 1.00 0.00 H new ATOM 0 HG2 ARG A 122 114.452 3.450 19.663 1.00 0.00 H new ATOM 0 HG3 ARG A 122 115.928 4.327 19.313 1.00 0.00 H new ATOM 0 HD2 ARG A 122 114.011 6.357 19.109 1.00 0.00 H new ATOM 0 HD3 ARG A 122 113.343 5.364 20.389 1.00 0.00 H new ATOM 0 HE ARG A 122 116.183 5.537 20.890 1.00 0.00 H new ATOM 0 HH11 ARG A 122 113.406 6.601 22.255 1.00 0.00 H new ATOM 0 HH12 ARG A 122 113.970 8.212 22.710 1.00 0.00 H new ATOM 0 HH21 ARG A 122 116.872 8.013 20.769 1.00 0.00 H new ATOM 0 HH22 ARG A 122 115.916 9.005 21.876 1.00 0.00 H new ATOM 1885 N TYR A 123 113.343 2.714 15.458 1.00 0.00 N ATOM 1886 CA TYR A 123 112.294 1.864 14.820 1.00 0.00 C ATOM 1887 C TYR A 123 112.941 0.664 14.123 1.00 0.00 C ATOM 1888 O TYR A 123 112.353 -0.394 14.014 1.00 0.00 O ATOM 1889 CB TYR A 123 111.615 2.773 13.795 1.00 0.00 C ATOM 1890 CG TYR A 123 110.210 2.249 13.497 1.00 0.00 C ATOM 1891 CD1 TYR A 123 109.365 2.517 14.621 1.00 0.00 C ATOM 1892 CD2 TYR A 123 108.878 2.716 13.477 1.00 0.00 C ATOM 1893 CE1 TYR A 123 108.586 2.203 13.508 1.00 0.00 C ATOM 1894 CE2 TYR A 123 109.021 1.947 14.632 1.00 0.00 C ATOM 1895 CZ TYR A 123 109.660 1.296 13.530 1.00 0.00 C ATOM 1896 OH TYR A 123 109.915 -0.021 13.893 1.00 0.00 O ATOM 0 H TYR A 123 113.407 3.666 15.098 1.00 0.00 H new ATOM 0 HA TYR A 123 111.585 1.468 15.547 1.00 0.00 H new ATOM 0 HB2 TYR A 123 111.561 3.792 14.177 1.00 0.00 H new ATOM 0 HB3 TYR A 123 112.203 2.808 12.878 1.00 0.00 H new ATOM 0 HD1 TYR A 123 109.344 2.789 15.666 1.00 0.00 H new ATOM 0 HD2 TYR A 123 108.175 3.309 12.911 1.00 0.00 H new ATOM 0 HE1 TYR A 123 107.698 2.485 12.962 1.00 0.00 H new ATOM 0 HE2 TYR A 123 108.794 1.884 15.686 1.00 0.00 H new ATOM 0 HH TYR A 123 110.806 -0.281 13.578 1.00 0.00 H new ATOM 1906 N LEU A 124 114.147 0.825 13.649 1.00 0.00 N ATOM 1907 CA LEU A 124 114.835 -0.303 12.953 1.00 0.00 C ATOM 1908 C LEU A 124 115.232 -1.391 13.955 1.00 0.00 C ATOM 1909 O LEU A 124 114.655 -2.460 13.979 1.00 0.00 O ATOM 1910 CB LEU A 124 116.077 0.321 12.313 1.00 0.00 C ATOM 1911 CG LEU A 124 115.675 1.066 11.038 1.00 0.00 C ATOM 1912 CD1 LEU A 124 116.890 1.801 10.470 1.00 0.00 C ATOM 1913 CD2 LEU A 124 115.158 0.063 10.004 1.00 0.00 C ATOM 0 H LEU A 124 114.686 1.688 13.713 1.00 0.00 H new ATOM 0 HA LEU A 124 114.192 -0.780 12.213 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.554 1.007 13.013 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.807 -0.454 12.079 1.00 0.00 H new ATOM 0 HG LEU A 124 114.891 1.787 11.271 1.00 0.00 H new ATOM 0 HD11 LEU A 124 116.603 2.331 9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 124 117.260 2.515 11.206 1.00 0.00 H new ATOM 0 HD13 LEU A 124 117.675 1.081 10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 124 114.871 0.592 9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 124 115.942 -0.657 9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.292 -0.461 10.407 1.00 0.00 H new ATOM 1925 N HIS A 125 116.215 -1.131 14.779 1.00 0.00 N ATOM 1926 CA HIS A 125 116.647 -2.160 15.774 1.00 0.00 C ATOM 1927 C HIS A 125 115.443 -2.644 16.594 1.00 0.00 C ATOM 1928 O HIS A 125 115.407 -3.768 17.058 1.00 0.00 O ATOM 1929 CB HIS A 125 117.698 -1.457 16.652 1.00 0.00 C ATOM 1930 CG HIS A 125 117.076 -0.928 17.921 1.00 0.00 C ATOM 1931 ND1 HIS A 125 116.830 0.421 18.115 1.00 0.00 N ATOM 1932 CD2 HIS A 125 116.658 -1.554 19.069 1.00 0.00 C ATOM 1933 CE1 HIS A 125 116.288 0.563 19.338 1.00 0.00 C ATOM 1934 NE2 HIS A 125 116.160 -0.611 19.962 1.00 0.00 N ATOM 0 H HIS A 125 116.736 -0.254 14.806 1.00 0.00 H new ATOM 0 HA HIS A 125 117.066 -3.049 15.303 1.00 0.00 H new ATOM 0 HB2 HIS A 125 118.497 -2.156 16.898 1.00 0.00 H new ATOM 0 HB3 HIS A 125 118.152 -0.637 16.096 1.00 0.00 H new ATOM 0 HD1 HIS A 125 117.024 1.171 17.451 1.00 0.00 H new ATOM 0 HD2 HIS A 125 116.708 -2.617 19.251 1.00 0.00 H new ATOM 0 HE1 HIS A 125 115.992 1.511 19.763 1.00 0.00 H new ATOM 1942 N ALA A 126 114.455 -1.807 16.766 1.00 0.00 N ATOM 1943 CA ALA A 126 113.251 -2.223 17.544 1.00 0.00 C ATOM 1944 C ALA A 126 112.540 -3.367 16.820 1.00 0.00 C ATOM 1945 O ALA A 126 112.010 -4.272 17.434 1.00 0.00 O ATOM 1946 CB ALA A 126 112.359 -0.983 17.597 1.00 0.00 C ATOM 0 H ALA A 126 114.429 -0.854 16.402 1.00 0.00 H new ATOM 0 HA ALA A 126 113.503 -2.579 18.543 1.00 0.00 H new ATOM 0 HB1 ALA A 126 111.451 -1.212 18.155 1.00 0.00 H new ATOM 0 HB2 ALA A 126 112.893 -0.171 18.090 1.00 0.00 H new ATOM 0 HB3 ALA A 126 112.096 -0.681 16.583 1.00 0.00 H new ATOM 1952 N ALA A 127 112.530 -3.333 15.514 1.00 0.00 N ATOM 1953 CA ALA A 127 111.860 -4.418 14.740 1.00 0.00 C ATOM 1954 C ALA A 127 112.872 -5.112 13.823 1.00 0.00 C ATOM 1955 O ALA A 127 112.514 -5.702 12.823 1.00 0.00 O ATOM 1956 CB ALA A 127 110.786 -3.710 13.912 1.00 0.00 C ATOM 0 H ALA A 127 112.958 -2.599 14.949 1.00 0.00 H new ATOM 0 HA ALA A 127 111.435 -5.186 15.387 1.00 0.00 H new ATOM 0 HB1 ALA A 127 110.247 -4.443 13.312 1.00 0.00 H new ATOM 0 HB2 ALA A 127 110.089 -3.202 14.578 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.257 -2.979 13.254 1.00 0.00 H new ATOM 1962 N THR A 128 114.134 -5.044 14.157 1.00 0.00 N ATOM 1963 CA THR A 128 115.170 -5.697 13.306 1.00 0.00 C ATOM 1964 C THR A 128 116.118 -6.534 14.170 1.00 0.00 C ATOM 1965 O THR A 128 116.465 -7.647 13.827 1.00 0.00 O ATOM 1966 CB THR A 128 115.924 -4.542 12.643 1.00 0.00 C ATOM 1967 OG1 THR A 128 115.009 -3.742 11.908 1.00 0.00 O ATOM 1968 CG2 THR A 128 116.990 -5.098 11.697 1.00 0.00 C ATOM 0 H THR A 128 114.491 -4.564 14.983 1.00 0.00 H new ATOM 0 HA THR A 128 114.733 -6.374 12.571 1.00 0.00 H new ATOM 0 HB THR A 128 116.405 -3.936 13.411 1.00 0.00 H new ATOM 0 HG1 THR A 128 114.369 -4.320 11.443 1.00 0.00 H new ATOM 0 HG21 THR A 128 117.525 -4.273 11.227 1.00 0.00 H new ATOM 0 HG22 THR A 128 117.693 -5.712 12.261 1.00 0.00 H new ATOM 0 HG23 THR A 128 116.513 -5.706 10.928 1.00 0.00 H new ATOM 1976 N GLY A 129 116.540 -6.007 15.288 1.00 0.00 N ATOM 1977 CA GLY A 129 117.466 -6.773 16.173 1.00 0.00 C ATOM 1978 C GLY A 129 116.725 -7.226 17.435 1.00 0.00 C ATOM 1979 O GLY A 129 117.317 -7.766 18.350 1.00 0.00 O ATOM 0 H GLY A 129 116.284 -5.080 15.627 1.00 0.00 H new ATOM 0 HA2 GLY A 129 117.859 -7.639 15.640 1.00 0.00 H new ATOM 0 HA3 GLY A 129 118.320 -6.152 16.445 1.00 0.00 H new ATOM 1983 N ASP A 130 115.435 -7.010 17.498 1.00 0.00 N ATOM 1984 CA ASP A 130 114.659 -7.427 18.701 1.00 0.00 C ATOM 1985 C ASP A 130 114.905 -8.907 19.015 1.00 0.00 C ATOM 1986 O ASP A 130 114.506 -9.339 20.085 1.00 0.00 O ATOM 1987 CB ASP A 130 113.192 -7.194 18.329 1.00 0.00 C ATOM 1988 CG ASP A 130 112.842 -7.995 17.073 1.00 0.00 C ATOM 1989 OD1 ASP A 130 113.380 -7.680 16.024 1.00 0.00 O ATOM 1990 OD2 ASP A 130 112.044 -8.910 17.182 1.00 0.00 O ATOM 1991 OXT ASP A 130 115.489 -9.581 18.182 1.00 0.00 O ATOM 0 H ASP A 130 114.886 -6.561 16.765 1.00 0.00 H new ATOM 0 HA ASP A 130 114.950 -6.866 19.589 1.00 0.00 H new ATOM 0 HB2 ASP A 130 112.546 -7.494 19.154 1.00 0.00 H new ATOM 0 HB3 ASP A 130 113.016 -6.132 18.155 1.00 0.00 H new TER 1996 ASP A 130