USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 107 CYS SG : rot 171:sc= 0.673 USER MOD Set 1.2: A 138 SER OG : rot 82:sc= 1.66 USER MOD Set 2.1: A 100 HIS : no HD1:sc= -0.391 X(o=-0.39,f=0.073) USER MOD Set 2.2: A 120 GLN : amide:sc= 0 K(o=-0.39,f=-1.2) USER MOD Single : A 80 MET CE :methyl -179:sc= 0 (180deg=-0.00313) USER MOD Single : A 82 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.09) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=-0.14) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.26) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HE2:sc= 0.0336 X(o=0.034,f=-0.36) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0515 K(o=-0.052,f=-0.56) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= 0.086 K(o=0.086,f=-1) USER MOD Single : A 101 MET CE :methyl -172:sc= -0.352 (180deg=-0.59) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 13:sc= 1.28 USER MOD Single : A 113 SER OG : rot 180:sc= 0.00834 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= 0.338 K(o=0.34,f=-2.1!) USER MOD Single : A 129 ASN : amide:sc= -0.459 K(o=-0.46,f=-1.3) USER MOD Single : A 134 CYS SG : rot 69:sc= 0.599 USER MOD Single : A 145 SER OG : rot -37:sc= 0.543 USER MOD Single : A 146 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 149 TYR OH : rot 159:sc= 0.0091 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 ASN :FLIP amide:sc=-0.00385 F(o=-1.2,f=-0.0039) USER MOD Single : A 158 HIS : no HE2:sc= 0.568 K(o=0.57,f=-2!) USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot -29:sc= 0.0864 USER MOD Single : A 164 TYR OH : rot -179:sc= 1.07 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= 0.225 K(o=0.22,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 13.749 -4.059 -19.137 1.00 25.00 N ATOM 2 CA MET A 80 14.176 -2.689 -19.503 1.00 25.00 C ATOM 3 C MET A 80 13.291 -1.610 -18.894 1.00 25.00 C ATOM 4 O MET A 80 12.259 -1.879 -18.323 1.00 25.00 O ATOM 5 CB MET A 80 14.184 -2.558 -21.036 1.00 25.00 C ATOM 6 CG MET A 80 15.138 -3.583 -21.674 1.00 25.00 C ATOM 7 SD MET A 80 15.330 -3.325 -23.469 1.00 25.00 S ATOM 8 CE MET A 80 13.716 -3.907 -24.086 1.00 25.00 C ATOM 0 HA MET A 80 15.177 -2.537 -19.099 1.00 25.00 H new ATOM 0 HB2 MET A 80 13.175 -2.706 -21.422 1.00 25.00 H new ATOM 0 HB3 MET A 80 14.488 -1.550 -21.316 1.00 25.00 H new ATOM 0 HG2 MET A 80 16.114 -3.516 -21.193 1.00 25.00 H new ATOM 0 HG3 MET A 80 14.761 -4.589 -21.492 1.00 25.00 H new ATOM 0 HE1 MET A 80 13.691 -3.827 -25.173 1.00 25.00 H new ATOM 0 HE2 MET A 80 13.569 -4.947 -23.796 1.00 25.00 H new ATOM 0 HE3 MET A 80 12.921 -3.296 -23.659 1.00 25.00 H new ATOM 18 N GLY A 81 13.723 -0.345 -19.006 1.00 25.00 N ATOM 19 CA GLY A 81 12.951 0.778 -18.482 1.00 25.00 C ATOM 20 C GLY A 81 13.126 0.975 -16.988 1.00 25.00 C ATOM 21 O GLY A 81 12.316 1.626 -16.343 1.00 25.00 O ATOM 0 H GLY A 81 14.600 -0.081 -19.454 1.00 25.00 H new ATOM 0 HA2 GLY A 81 13.249 1.689 -19.000 1.00 25.00 H new ATOM 0 HA3 GLY A 81 11.895 0.619 -18.700 1.00 25.00 H new ATOM 25 N HIS A 82 14.180 0.397 -16.431 1.00 25.00 N ATOM 26 CA HIS A 82 14.447 0.500 -14.999 1.00 25.00 C ATOM 27 C HIS A 82 15.737 1.284 -14.784 1.00 25.00 C ATOM 28 O HIS A 82 16.698 1.115 -15.534 1.00 25.00 O ATOM 29 CB HIS A 82 14.553 -0.898 -14.393 1.00 25.00 C ATOM 30 CG HIS A 82 14.476 -0.904 -12.899 1.00 25.00 C ATOM 31 ND1 HIS A 82 13.323 -0.714 -12.182 1.00 25.00 N ATOM 32 CD2 HIS A 82 15.448 -1.082 -11.964 1.00 25.00 C ATOM 33 CE1 HIS A 82 13.624 -0.773 -10.889 1.00 25.00 C ATOM 34 NE2 HIS A 82 14.907 -0.992 -10.699 1.00 25.00 N ATOM 0 H HIS A 82 14.868 -0.150 -16.948 1.00 25.00 H new ATOM 0 HA HIS A 82 13.630 1.026 -14.505 1.00 25.00 H new ATOM 0 HB2 HIS A 82 13.753 -1.521 -14.793 1.00 25.00 H new ATOM 0 HB3 HIS A 82 15.495 -1.350 -14.703 1.00 25.00 H new ATOM 0 HD2 HIS A 82 16.490 -1.267 -12.181 1.00 25.00 H new ATOM 0 HE1 HIS A 82 12.904 -0.656 -10.093 1.00 25.00 H new ATOM 0 HE2 HIS A 82 15.396 -1.077 -9.808 1.00 25.00 H new ATOM 42 N HIS A 83 15.746 2.151 -13.781 1.00 25.00 N ATOM 43 CA HIS A 83 16.879 3.046 -13.531 1.00 25.00 C ATOM 44 C HIS A 83 17.544 2.772 -12.183 1.00 25.00 C ATOM 45 O HIS A 83 17.496 3.590 -11.269 1.00 25.00 O ATOM 46 CB HIS A 83 16.399 4.498 -13.608 1.00 25.00 C ATOM 47 CG HIS A 83 15.807 4.856 -14.937 1.00 25.00 C ATOM 48 ND1 HIS A 83 16.540 5.100 -16.069 1.00 25.00 N ATOM 49 CD2 HIS A 83 14.506 5.003 -15.320 1.00 25.00 C ATOM 50 CE1 HIS A 83 15.698 5.370 -17.062 1.00 25.00 C ATOM 51 NE2 HIS A 83 14.444 5.330 -16.661 1.00 25.00 N ATOM 0 H HIS A 83 14.977 2.258 -13.119 1.00 25.00 H new ATOM 0 HA HIS A 83 17.633 2.863 -14.297 1.00 25.00 H new ATOM 0 HB2 HIS A 83 15.656 4.670 -12.829 1.00 25.00 H new ATOM 0 HB3 HIS A 83 17.238 5.162 -13.401 1.00 25.00 H new ATOM 0 HD2 HIS A 83 13.651 4.882 -14.671 1.00 25.00 H new ATOM 0 HE1 HIS A 83 16.005 5.594 -18.073 1.00 25.00 H new ATOM 0 HE2 HIS A 83 13.608 5.503 -17.219 1.00 25.00 H new ATOM 59 N HIS A 84 18.178 1.615 -12.074 1.00 25.00 N ATOM 60 CA HIS A 84 18.928 1.258 -10.870 1.00 25.00 C ATOM 61 C HIS A 84 20.408 1.406 -11.194 1.00 25.00 C ATOM 62 O HIS A 84 20.865 0.940 -12.237 1.00 25.00 O ATOM 63 CB HIS A 84 18.614 -0.178 -10.449 1.00 25.00 C ATOM 64 CG HIS A 84 19.372 -0.629 -9.240 1.00 25.00 C ATOM 65 ND1 HIS A 84 20.612 -1.217 -9.275 1.00 25.00 N ATOM 66 CD2 HIS A 84 19.044 -0.581 -7.919 1.00 25.00 C ATOM 67 CE1 HIS A 84 20.979 -1.489 -8.027 1.00 25.00 C ATOM 68 NE2 HIS A 84 20.064 -1.114 -7.159 1.00 25.00 N ATOM 0 H HIS A 84 18.191 0.903 -12.804 1.00 25.00 H new ATOM 0 HA HIS A 84 18.651 1.909 -10.041 1.00 25.00 H new ATOM 0 HB2 HIS A 84 17.546 -0.264 -10.250 1.00 25.00 H new ATOM 0 HB3 HIS A 84 18.839 -0.848 -11.279 1.00 25.00 H new ATOM 0 HD2 HIS A 84 18.120 -0.184 -7.524 1.00 25.00 H new ATOM 0 HE1 HIS A 84 21.913 -1.960 -7.758 1.00 25.00 H new ATOM 0 HE2 HIS A 84 20.101 -1.199 -6.143 1.00 25.00 H new ATOM 76 N HIS A 85 21.150 2.061 -10.316 1.00 25.00 N ATOM 77 CA HIS A 85 22.567 2.325 -10.551 1.00 25.00 C ATOM 78 C HIS A 85 23.380 1.826 -9.364 1.00 25.00 C ATOM 79 O HIS A 85 23.014 2.059 -8.219 1.00 25.00 O ATOM 80 CB HIS A 85 22.774 3.827 -10.767 1.00 25.00 C ATOM 81 CG HIS A 85 21.962 4.376 -11.902 1.00 25.00 C ATOM 82 ND1 HIS A 85 22.288 4.234 -13.229 1.00 25.00 N ATOM 83 CD2 HIS A 85 20.787 5.071 -11.903 1.00 25.00 C ATOM 84 CE1 HIS A 85 21.341 4.820 -13.956 1.00 25.00 C ATOM 85 NE2 HIS A 85 20.403 5.350 -13.200 1.00 25.00 N ATOM 0 H HIS A 85 20.796 2.422 -9.430 1.00 25.00 H new ATOM 0 HA HIS A 85 22.903 1.798 -11.444 1.00 25.00 H new ATOM 0 HB2 HIS A 85 22.514 4.359 -9.852 1.00 25.00 H new ATOM 0 HB3 HIS A 85 23.830 4.018 -10.958 1.00 25.00 H new ATOM 0 HD2 HIS A 85 20.238 5.360 -11.019 1.00 25.00 H new ATOM 0 HE1 HIS A 85 21.342 4.857 -15.035 1.00 25.00 H new ATOM 0 HE2 HIS A 85 19.572 5.857 -13.506 1.00 25.00 H new ATOM 93 N HIS A 86 24.457 1.107 -9.642 1.00 25.00 N ATOM 94 CA HIS A 86 25.251 0.455 -8.602 1.00 25.00 C ATOM 95 C HIS A 86 26.747 0.561 -8.916 1.00 25.00 C ATOM 96 O HIS A 86 27.351 -0.374 -9.424 1.00 25.00 O ATOM 97 CB HIS A 86 24.814 -1.013 -8.501 1.00 25.00 C ATOM 98 CG HIS A 86 25.394 -1.744 -7.331 1.00 25.00 C ATOM 99 ND1 HIS A 86 26.616 -2.366 -7.334 1.00 25.00 N ATOM 100 CD2 HIS A 86 24.886 -1.971 -6.088 1.00 25.00 C ATOM 101 CE1 HIS A 86 26.799 -2.932 -6.146 1.00 25.00 C ATOM 102 NE2 HIS A 86 25.779 -2.714 -5.343 1.00 25.00 N ATOM 0 H HIS A 86 24.807 0.957 -10.588 1.00 25.00 H new ATOM 0 HA HIS A 86 25.084 0.951 -7.646 1.00 25.00 H new ATOM 0 HB2 HIS A 86 23.727 -1.054 -8.438 1.00 25.00 H new ATOM 0 HB3 HIS A 86 25.100 -1.530 -9.417 1.00 25.00 H new ATOM 0 HD2 HIS A 86 23.926 -1.621 -5.737 1.00 25.00 H new ATOM 0 HE1 HIS A 86 27.676 -3.500 -5.873 1.00 25.00 H new ATOM 0 HE2 HIS A 86 25.672 -3.027 -4.378 1.00 25.00 H new ATOM 110 N HIS A 87 27.329 1.727 -8.661 1.00 25.00 N ATOM 111 CA HIS A 87 28.750 1.942 -8.958 1.00 25.00 C ATOM 112 C HIS A 87 29.653 1.166 -7.999 1.00 25.00 C ATOM 113 O HIS A 87 30.577 0.504 -8.430 1.00 25.00 O ATOM 114 CB HIS A 87 29.095 3.434 -8.888 1.00 25.00 C ATOM 115 CG HIS A 87 28.423 4.253 -9.946 1.00 25.00 C ATOM 116 ND1 HIS A 87 27.377 5.115 -9.718 1.00 25.00 N ATOM 117 CD2 HIS A 87 28.672 4.346 -11.281 1.00 25.00 C ATOM 118 CE1 HIS A 87 27.039 5.673 -10.877 1.00 25.00 C ATOM 119 NE2 HIS A 87 27.791 5.234 -11.866 1.00 25.00 N ATOM 0 H HIS A 87 26.851 2.531 -8.255 1.00 25.00 H new ATOM 0 HA HIS A 87 28.926 1.573 -9.969 1.00 25.00 H new ATOM 0 HB2 HIS A 87 28.812 3.818 -7.908 1.00 25.00 H new ATOM 0 HB3 HIS A 87 30.175 3.554 -8.978 1.00 25.00 H new ATOM 0 HD2 HIS A 87 29.445 3.805 -11.806 1.00 25.00 H new ATOM 0 HE1 HIS A 87 26.246 6.397 -10.993 1.00 25.00 H new ATOM 0 HE2 HIS A 87 27.735 5.494 -12.851 1.00 25.00 H new ATOM 127 N HIS A 88 29.359 1.251 -6.703 1.00 25.00 N ATOM 128 CA HIS A 88 30.119 0.537 -5.660 1.00 25.00 C ATOM 129 C HIS A 88 31.645 0.796 -5.737 1.00 25.00 C ATOM 130 O HIS A 88 32.453 -0.133 -5.701 1.00 25.00 O ATOM 131 CB HIS A 88 29.797 -0.961 -5.735 1.00 25.00 C ATOM 132 CG HIS A 88 29.955 -1.678 -4.432 1.00 25.00 C ATOM 133 ND1 HIS A 88 31.155 -2.092 -3.921 1.00 25.00 N ATOM 134 CD2 HIS A 88 29.027 -2.065 -3.512 1.00 25.00 C ATOM 135 CE1 HIS A 88 30.932 -2.688 -2.756 1.00 25.00 C ATOM 136 NE2 HIS A 88 29.649 -2.694 -2.453 1.00 25.00 N ATOM 0 H HIS A 88 28.590 1.814 -6.339 1.00 25.00 H new ATOM 0 HA HIS A 88 29.807 0.928 -4.692 1.00 25.00 H new ATOM 0 HB2 HIS A 88 28.773 -1.086 -6.086 1.00 25.00 H new ATOM 0 HB3 HIS A 88 30.447 -1.426 -6.476 1.00 25.00 H new ATOM 0 HD1 HIS A 88 32.066 -1.964 -4.361 1.00 25.00 H new ATOM 0 HD2 HIS A 88 27.963 -1.903 -3.599 1.00 25.00 H new ATOM 0 HE1 HIS A 88 31.705 -3.115 -2.134 1.00 25.00 H new ATOM 144 N HIS A 89 32.001 2.078 -5.812 1.00 25.00 N ATOM 145 CA HIS A 89 33.397 2.543 -5.938 1.00 25.00 C ATOM 146 C HIS A 89 34.011 2.060 -7.261 1.00 25.00 C ATOM 147 O HIS A 89 33.300 1.913 -8.248 1.00 25.00 O ATOM 148 CB HIS A 89 34.257 2.143 -4.721 1.00 25.00 C ATOM 149 CG HIS A 89 33.690 2.591 -3.412 1.00 25.00 C ATOM 150 ND1 HIS A 89 33.031 1.771 -2.531 1.00 25.00 N ATOM 151 CD2 HIS A 89 33.704 3.814 -2.812 1.00 25.00 C ATOM 152 CE1 HIS A 89 32.678 2.496 -1.473 1.00 25.00 C ATOM 153 NE2 HIS A 89 33.056 3.753 -1.594 1.00 25.00 N ATOM 0 H HIS A 89 31.324 2.840 -5.787 1.00 25.00 H new ATOM 0 HA HIS A 89 33.383 3.633 -5.954 1.00 25.00 H new ATOM 0 HB2 HIS A 89 34.369 1.059 -4.707 1.00 25.00 H new ATOM 0 HB3 HIS A 89 35.255 2.565 -4.838 1.00 25.00 H new ATOM 0 HD2 HIS A 89 34.156 4.702 -3.228 1.00 25.00 H new ATOM 0 HE1 HIS A 89 32.147 2.103 -0.619 1.00 25.00 H new ATOM 0 HE2 HIS A 89 32.903 4.514 -0.933 1.00 25.00 H new ATOM 161 N HIS A 90 35.326 1.905 -7.301 1.00 25.00 N ATOM 162 CA HIS A 90 36.031 1.505 -8.513 1.00 25.00 C ATOM 163 C HIS A 90 37.376 0.936 -8.089 1.00 25.00 C ATOM 164 O HIS A 90 37.716 0.972 -6.907 1.00 25.00 O ATOM 165 CB HIS A 90 36.258 2.713 -9.442 1.00 0.00 C ATOM 166 CG HIS A 90 37.255 3.698 -8.914 1.00 25.00 C ATOM 167 ND1 HIS A 90 36.976 4.659 -7.974 1.00 25.00 N ATOM 168 CD2 HIS A 90 38.572 3.875 -9.216 1.00 25.00 C ATOM 169 CE1 HIS A 90 38.090 5.348 -7.739 1.00 25.00 C ATOM 170 NE2 HIS A 90 39.095 4.909 -8.468 1.00 25.00 N ATOM 0 H HIS A 90 35.935 2.052 -6.496 1.00 25.00 H new ATOM 0 HA HIS A 90 35.441 0.769 -9.059 1.00 25.00 H new ATOM 0 HB2 HIS A 90 36.595 2.354 -10.415 1.00 0.00 H new ATOM 0 HB3 HIS A 90 35.307 3.221 -9.602 1.00 0.00 H new ATOM 0 HD2 HIS A 90 39.126 3.291 -9.936 1.00 25.00 H new ATOM 0 HE1 HIS A 90 38.161 6.166 -7.037 1.00 25.00 H new ATOM 0 HE2 HIS A 90 40.053 5.258 -8.477 1.00 25.00 H new ATOM 178 N HIS A 91 38.160 0.491 -9.058 1.00 25.00 N ATOM 179 CA HIS A 91 39.534 0.071 -8.831 1.00 25.00 C ATOM 180 C HIS A 91 40.331 0.720 -9.951 1.00 25.00 C ATOM 181 O HIS A 91 39.750 1.167 -10.936 1.00 25.00 O ATOM 182 CB HIS A 91 39.659 -1.457 -8.881 1.00 25.00 C ATOM 183 CG HIS A 91 39.234 -2.055 -10.187 1.00 25.00 C ATOM 184 ND1 HIS A 91 40.017 -2.102 -11.317 1.00 25.00 N ATOM 185 CD2 HIS A 91 38.061 -2.644 -10.549 1.00 25.00 C ATOM 186 CE1 HIS A 91 39.316 -2.687 -12.284 1.00 25.00 C ATOM 187 NE2 HIS A 91 38.115 -3.039 -11.871 1.00 25.00 N ATOM 0 H HIS A 91 37.860 0.411 -10.029 1.00 25.00 H new ATOM 0 HA HIS A 91 39.894 0.369 -7.847 1.00 25.00 H new ATOM 0 HB2 HIS A 91 40.695 -1.734 -8.685 1.00 25.00 H new ATOM 0 HB3 HIS A 91 39.057 -1.888 -8.081 1.00 25.00 H new ATOM 0 HD2 HIS A 91 37.211 -2.782 -9.897 1.00 25.00 H new ATOM 0 HE1 HIS A 91 39.686 -2.853 -13.285 1.00 25.00 H new ATOM 0 HE2 HIS A 91 37.384 -3.503 -12.411 1.00 25.00 H new ATOM 195 N SER A 92 41.645 0.779 -9.801 1.00 25.00 N ATOM 196 CA SER A 92 42.504 1.388 -10.815 1.00 25.00 C ATOM 197 C SER A 92 43.845 0.665 -10.886 1.00 25.00 C ATOM 198 O SER A 92 44.175 0.076 -11.911 1.00 25.00 O ATOM 199 CB SER A 92 42.719 2.865 -10.481 1.00 25.00 C ATOM 200 OG SER A 92 43.005 3.029 -9.096 1.00 25.00 O ATOM 0 H SER A 92 42.143 0.414 -8.989 1.00 25.00 H new ATOM 0 HA SER A 92 42.018 1.304 -11.787 1.00 25.00 H new ATOM 0 HB2 SER A 92 43.541 3.262 -11.077 1.00 25.00 H new ATOM 0 HB3 SER A 92 41.829 3.436 -10.744 1.00 25.00 H new ATOM 0 HG SER A 92 43.141 3.980 -8.900 1.00 25.00 H new ATOM 206 N SER A 93 44.574 0.686 -9.772 1.00 25.00 N ATOM 207 CA SER A 93 45.909 0.080 -9.656 1.00 25.00 C ATOM 208 C SER A 93 46.897 0.724 -10.640 1.00 25.00 C ATOM 209 O SER A 93 46.580 1.713 -11.288 1.00 25.00 O ATOM 210 CB SER A 93 45.838 -1.443 -9.849 1.00 25.00 C ATOM 211 OG SER A 93 44.869 -2.005 -8.975 1.00 25.00 O ATOM 0 H SER A 93 44.254 1.129 -8.911 1.00 25.00 H new ATOM 0 HA SER A 93 46.279 0.270 -8.649 1.00 25.00 H new ATOM 0 HB2 SER A 93 45.583 -1.674 -10.883 1.00 25.00 H new ATOM 0 HB3 SER A 93 46.814 -1.887 -9.655 1.00 25.00 H new ATOM 0 HG SER A 93 44.832 -2.975 -9.108 1.00 25.00 H new ATOM 217 N GLY A 94 48.120 0.210 -10.688 1.00 25.00 N ATOM 218 CA GLY A 94 49.132 0.773 -11.574 1.00 25.00 C ATOM 219 C GLY A 94 49.683 2.106 -11.098 1.00 25.00 C ATOM 220 O GLY A 94 50.361 2.802 -11.840 1.00 25.00 O ATOM 0 H GLY A 94 48.433 -0.586 -10.132 1.00 25.00 H new ATOM 0 HA2 GLY A 94 49.954 0.063 -11.671 1.00 25.00 H new ATOM 0 HA3 GLY A 94 48.703 0.901 -12.568 1.00 25.00 H new ATOM 224 N HIS A 95 49.377 2.463 -9.858 1.00 25.00 N ATOM 225 CA HIS A 95 49.828 3.723 -9.269 1.00 25.00 C ATOM 226 C HIS A 95 51.282 3.590 -8.793 1.00 25.00 C ATOM 227 O HIS A 95 51.550 3.403 -7.602 1.00 25.00 O ATOM 228 CB HIS A 95 48.898 4.104 -8.104 1.00 25.00 C ATOM 229 CG HIS A 95 49.118 5.489 -7.576 1.00 25.00 C ATOM 230 ND1 HIS A 95 50.222 5.880 -6.860 1.00 25.00 N ATOM 231 CD2 HIS A 95 48.340 6.605 -7.658 1.00 25.00 C ATOM 232 CE1 HIS A 95 50.082 7.163 -6.543 1.00 25.00 C ATOM 233 NE2 HIS A 95 48.947 7.654 -6.999 1.00 25.00 N ATOM 0 H HIS A 95 48.811 1.891 -9.231 1.00 25.00 H new ATOM 0 HA HIS A 95 49.790 4.514 -10.018 1.00 25.00 H new ATOM 0 HB2 HIS A 95 47.863 4.012 -8.434 1.00 25.00 H new ATOM 0 HB3 HIS A 95 49.038 3.390 -7.292 1.00 25.00 H new ATOM 0 HD1 HIS A 95 51.014 5.287 -6.613 1.00 25.00 H new ATOM 0 HD2 HIS A 95 47.388 6.660 -8.165 1.00 25.00 H new ATOM 0 HE1 HIS A 95 50.808 7.732 -5.982 1.00 25.00 H new ATOM 241 N ILE A 96 52.206 3.630 -9.740 1.00 25.00 N ATOM 242 CA ILE A 96 53.636 3.501 -9.465 1.00 25.00 C ATOM 243 C ILE A 96 54.379 4.526 -10.319 1.00 25.00 C ATOM 244 O ILE A 96 53.822 5.056 -11.278 1.00 25.00 O ATOM 245 CB ILE A 96 54.165 2.059 -9.805 1.00 25.00 C ATOM 246 CG1 ILE A 96 53.899 1.708 -11.289 1.00 25.00 C ATOM 247 CG2 ILE A 96 53.503 1.009 -8.870 1.00 25.00 C ATOM 248 CD1 ILE A 96 54.603 0.432 -11.778 1.00 25.00 C ATOM 0 H ILE A 96 51.988 3.754 -10.729 1.00 25.00 H new ATOM 0 HA ILE A 96 53.807 3.674 -8.403 1.00 25.00 H new ATOM 0 HB ILE A 96 55.243 2.043 -9.642 1.00 25.00 H new ATOM 0 HG12 ILE A 96 52.825 1.594 -11.435 1.00 25.00 H new ATOM 0 HG13 ILE A 96 54.218 2.545 -11.910 1.00 25.00 H new ATOM 0 HG21 ILE A 96 53.878 0.015 -9.116 1.00 25.00 H new ATOM 0 HG22 ILE A 96 53.745 1.242 -7.833 1.00 25.00 H new ATOM 0 HG23 ILE A 96 52.422 1.032 -9.005 1.00 25.00 H new ATOM 0 HD11 ILE A 96 54.361 0.262 -12.827 1.00 25.00 H new ATOM 0 HD12 ILE A 96 55.681 0.546 -11.668 1.00 25.00 H new ATOM 0 HD13 ILE A 96 54.266 -0.419 -11.186 1.00 25.00 H new ATOM 260 N GLU A 97 55.638 4.768 -9.988 1.00 25.00 N ATOM 261 CA GLU A 97 56.512 5.643 -10.761 1.00 25.00 C ATOM 262 C GLU A 97 57.917 5.211 -10.371 1.00 25.00 C ATOM 263 O GLU A 97 58.086 4.521 -9.361 1.00 25.00 O ATOM 264 CB GLU A 97 56.290 7.127 -10.417 1.00 25.00 C ATOM 265 CG GLU A 97 56.181 8.054 -11.647 1.00 25.00 C ATOM 266 CD GLU A 97 57.512 8.237 -12.386 1.00 25.00 C ATOM 267 OE1 GLU A 97 57.946 7.299 -13.097 1.00 25.00 O ATOM 268 OE2 GLU A 97 58.146 9.292 -12.229 1.00 25.00 O1- ATOM 0 H GLU A 97 56.088 4.360 -9.168 1.00 25.00 H new ATOM 0 HA GLU A 97 56.321 5.558 -11.831 1.00 25.00 H new ATOM 0 HB2 GLU A 97 55.379 7.219 -9.826 1.00 25.00 H new ATOM 0 HB3 GLU A 97 57.113 7.470 -9.790 1.00 25.00 H new ATOM 0 HG2 GLU A 97 55.443 7.646 -12.337 1.00 25.00 H new ATOM 0 HG3 GLU A 97 55.813 9.029 -11.327 1.00 25.00 H new ATOM 275 N GLY A 98 58.906 5.579 -11.166 1.00 25.00 N ATOM 276 CA GLY A 98 60.282 5.217 -10.872 1.00 25.00 C ATOM 277 C GLY A 98 61.297 5.867 -11.792 1.00 25.00 C ATOM 278 O GLY A 98 62.389 5.338 -11.966 1.00 25.00 O ATOM 0 H GLY A 98 58.783 6.127 -12.018 1.00 25.00 H new ATOM 0 HA2 GLY A 98 60.509 5.495 -9.843 1.00 25.00 H new ATOM 0 HA3 GLY A 98 60.385 4.134 -10.940 1.00 25.00 H new ATOM 282 N ARG A 99 60.946 6.996 -12.403 1.00 25.00 N ATOM 283 CA ARG A 99 61.869 7.696 -13.310 1.00 25.00 C ATOM 284 C ARG A 99 62.311 9.029 -12.732 1.00 25.00 C ATOM 285 O ARG A 99 62.838 9.880 -13.439 1.00 25.00 O ATOM 286 CB ARG A 99 61.220 7.940 -14.667 1.00 25.00 C ATOM 287 CG ARG A 99 60.755 6.684 -15.384 1.00 25.00 C ATOM 288 CD ARG A 99 60.607 6.948 -16.892 1.00 25.00 C ATOM 289 NE ARG A 99 59.746 8.118 -17.171 1.00 25.00 N ATOM 290 CZ ARG A 99 60.177 9.345 -17.472 1.00 25.00 C ATOM 291 NH1 ARG A 99 61.447 9.653 -17.582 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 59.303 10.289 -17.658 1.00 25.00 N ATOM 0 H ARG A 99 60.038 7.447 -12.292 1.00 25.00 H new ATOM 0 HA ARG A 99 62.741 7.053 -13.432 1.00 25.00 H new ATOM 0 HB2 ARG A 99 60.365 8.602 -14.532 1.00 25.00 H new ATOM 0 HB3 ARG A 99 61.931 8.464 -15.306 1.00 25.00 H new ATOM 0 HG2 ARG A 99 61.470 5.878 -15.218 1.00 25.00 H new ATOM 0 HG3 ARG A 99 59.802 6.354 -14.971 1.00 25.00 H new ATOM 0 HD2 ARG A 99 61.592 7.111 -17.329 1.00 25.00 H new ATOM 0 HD3 ARG A 99 60.186 6.066 -17.374 1.00 25.00 H new ATOM 0 HE ARG A 99 58.737 7.975 -17.130 1.00 25.00 H new ATOM 0 HH11 ARG A 99 62.160 8.938 -17.435 1.00 25.00 H new ATOM 0 HH12 ARG A 99 61.722 10.607 -17.814 1.00 25.00 H new ATOM 0 HH21 ARG A 99 58.307 10.086 -17.573 1.00 25.00 H new ATOM 0 HH22 ARG A 99 59.613 11.233 -17.889 1.00 25.00 H new ATOM 306 N HIS A 100 62.098 9.189 -11.441 1.00 25.00 N ATOM 307 CA HIS A 100 62.495 10.390 -10.729 1.00 25.00 C ATOM 308 C HIS A 100 63.470 9.950 -9.648 1.00 25.00 C ATOM 309 O HIS A 100 63.540 8.768 -9.316 1.00 25.00 O ATOM 310 CB HIS A 100 61.268 11.088 -10.136 1.00 25.00 C ATOM 311 CG HIS A 100 60.516 10.244 -9.155 1.00 25.00 C ATOM 312 ND1 HIS A 100 60.695 10.290 -7.796 1.00 25.00 N ATOM 313 CD2 HIS A 100 59.552 9.303 -9.352 1.00 25.00 C ATOM 314 CE1 HIS A 100 59.871 9.409 -7.238 1.00 25.00 C ATOM 315 NE2 HIS A 100 59.154 8.771 -8.141 1.00 25.00 N ATOM 0 H HIS A 100 61.644 8.489 -10.854 1.00 25.00 H new ATOM 0 HA HIS A 100 62.969 11.112 -11.393 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.585 12.007 -9.644 1.00 25.00 H new ATOM 0 HB3 HIS A 100 60.597 11.375 -10.945 1.00 25.00 H new ATOM 0 HD2 HIS A 100 59.156 9.015 -10.315 1.00 25.00 H new ATOM 0 HE1 HIS A 100 59.798 9.237 -6.174 1.00 25.00 H new ATOM 0 HE2 HIS A 100 58.457 8.043 -7.981 1.00 25.00 H new ATOM 323 N MET A 101 64.238 10.890 -9.127 1.00 25.00 N ATOM 324 CA MET A 101 65.286 10.608 -8.151 1.00 25.00 C ATOM 325 C MET A 101 65.186 11.602 -7.001 1.00 25.00 C ATOM 326 O MET A 101 64.507 12.623 -7.117 1.00 25.00 O ATOM 327 CB MET A 101 66.650 10.721 -8.833 1.00 25.00 C ATOM 328 CG MET A 101 66.948 12.108 -9.351 1.00 25.00 C ATOM 329 SD MET A 101 68.495 12.169 -10.223 1.00 25.00 S ATOM 330 CE MET A 101 68.574 13.891 -10.508 1.00 25.00 C ATOM 0 H MET A 101 64.155 11.878 -9.368 1.00 25.00 H new ATOM 0 HA MET A 101 65.167 9.599 -7.756 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.427 10.431 -8.126 1.00 25.00 H new ATOM 0 HB3 MET A 101 66.693 10.014 -9.662 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.144 12.429 -10.014 1.00 25.00 H new ATOM 0 HG3 MET A 101 66.973 12.810 -8.517 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.411 14.112 -11.171 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.646 14.226 -10.971 1.00 25.00 H new ATOM 0 HE3 MET A 101 68.715 14.411 -9.560 1.00 25.00 H new ATOM 340 N LEU A 102 65.838 11.286 -5.888 1.00 25.00 N ATOM 341 CA LEU A 102 65.787 12.115 -4.685 1.00 25.00 C ATOM 342 C LEU A 102 67.133 12.793 -4.427 1.00 25.00 C ATOM 343 O LEU A 102 68.141 12.117 -4.232 1.00 25.00 O ATOM 344 CB LEU A 102 65.429 11.235 -3.480 1.00 25.00 C ATOM 345 CG LEU A 102 65.198 11.966 -2.145 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.859 12.697 -2.149 1.00 25.00 C ATOM 347 CD2 LEU A 102 65.229 10.963 -0.999 1.00 25.00 C ATOM 0 H LEU A 102 66.416 10.451 -5.792 1.00 25.00 H new ATOM 0 HA LEU A 102 65.032 12.887 -4.830 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.527 10.673 -3.723 1.00 25.00 H new ATOM 0 HB3 LEU A 102 66.229 10.508 -3.338 1.00 25.00 H new ATOM 0 HG LEU A 102 65.992 12.701 -2.013 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.719 13.205 -1.195 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.847 13.430 -2.956 1.00 25.00 H new ATOM 0 HD13 LEU A 102 63.053 11.979 -2.299 1.00 25.00 H new ATOM 0 HD21 LEU A 102 65.065 11.483 -0.055 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.445 10.220 -1.144 1.00 25.00 H new ATOM 0 HD23 LEU A 102 66.199 10.467 -0.976 1.00 25.00 H new ATOM 359 N LEU A 103 67.139 14.117 -4.389 1.00 25.00 N ATOM 360 CA LEU A 103 68.354 14.882 -4.089 1.00 25.00 C ATOM 361 C LEU A 103 68.187 15.602 -2.771 1.00 25.00 C ATOM 362 O LEU A 103 67.103 16.090 -2.464 1.00 25.00 O ATOM 363 CB LEU A 103 68.627 15.921 -5.180 1.00 25.00 C ATOM 364 CG LEU A 103 69.201 15.393 -6.500 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.295 16.525 -7.496 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.579 14.802 -6.300 1.00 25.00 C ATOM 0 H LEU A 103 66.315 14.692 -4.562 1.00 25.00 H new ATOM 0 HA LEU A 103 69.191 14.185 -4.040 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.694 16.440 -5.397 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.319 16.662 -4.780 1.00 25.00 H new ATOM 0 HG LEU A 103 68.536 14.613 -6.871 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.703 16.151 -8.435 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.302 16.939 -7.671 1.00 25.00 H new ATOM 0 HD13 LEU A 103 69.948 17.303 -7.101 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.960 14.436 -7.253 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.250 15.568 -5.911 1.00 25.00 H new ATOM 0 HD23 LEU A 103 70.521 13.976 -5.591 1.00 25.00 H new ATOM 378 N THR A 104 69.261 15.703 -2.011 1.00 25.00 N ATOM 379 CA THR A 104 69.241 16.421 -0.742 1.00 25.00 C ATOM 380 C THR A 104 69.736 17.838 -0.978 1.00 25.00 C ATOM 381 O THR A 104 70.699 18.040 -1.708 1.00 25.00 O ATOM 382 CB THR A 104 70.165 15.749 0.287 1.00 25.00 C ATOM 383 OG1 THR A 104 70.203 14.340 0.041 1.00 25.00 O ATOM 384 CG2 THR A 104 69.663 15.973 1.707 1.00 25.00 C ATOM 0 H THR A 104 70.165 15.296 -2.249 1.00 25.00 H new ATOM 0 HA THR A 104 68.222 16.418 -0.356 1.00 25.00 H new ATOM 0 HB THR A 104 71.157 16.189 0.187 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.793 13.910 0.695 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.337 15.486 2.412 1.00 25.00 H new ATOM 0 HG22 THR A 104 69.629 17.042 1.917 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.663 15.551 1.810 1.00 25.00 H new ATOM 392 N VAL A 105 69.081 18.817 -0.383 1.00 25.00 N ATOM 393 CA VAL A 105 69.476 20.213 -0.525 1.00 25.00 C ATOM 394 C VAL A 105 69.682 20.798 0.869 1.00 25.00 C ATOM 395 O VAL A 105 68.826 20.672 1.737 1.00 25.00 O ATOM 396 CB VAL A 105 68.403 21.014 -1.297 1.00 25.00 C ATOM 397 CG1 VAL A 105 68.836 22.480 -1.480 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.142 20.377 -2.671 1.00 25.00 C ATOM 0 H VAL A 105 68.264 18.672 0.210 1.00 25.00 H new ATOM 0 HA VAL A 105 70.402 20.275 -1.096 1.00 25.00 H new ATOM 0 HB VAL A 105 67.484 20.992 -0.711 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.064 23.022 -2.026 1.00 25.00 H new ATOM 0 HG12 VAL A 105 68.981 22.941 -0.503 1.00 25.00 H new ATOM 0 HG13 VAL A 105 69.770 22.516 -2.041 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.384 20.953 -3.201 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.065 20.371 -3.251 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.792 19.354 -2.537 1.00 25.00 H new ATOM 408 N TYR A 106 70.831 21.420 1.078 1.00 25.00 N ATOM 409 CA TYR A 106 71.198 22.011 2.361 1.00 25.00 C ATOM 410 C TYR A 106 71.456 23.500 2.161 1.00 25.00 C ATOM 411 O TYR A 106 72.441 23.895 1.543 1.00 25.00 O ATOM 412 CB TYR A 106 72.445 21.299 2.886 1.00 25.00 C ATOM 413 CG TYR A 106 73.071 21.895 4.138 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.282 22.396 5.201 1.00 25.00 C ATOM 415 CD2 TYR A 106 74.473 21.937 4.268 1.00 25.00 C ATOM 416 CE1 TYR A 106 72.893 22.910 6.382 1.00 25.00 C ATOM 417 CE2 TYR A 106 75.082 22.455 5.434 1.00 25.00 C ATOM 418 CZ TYR A 106 74.292 22.932 6.483 1.00 25.00 C ATOM 419 OH TYR A 106 74.948 23.421 7.584 1.00 25.00 O ATOM 0 H TYR A 106 71.544 21.532 0.357 1.00 25.00 H new ATOM 0 HA TYR A 106 70.396 21.895 3.090 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.188 20.260 3.091 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.196 21.292 2.096 1.00 25.00 H new ATOM 0 HD1 TYR A 106 71.205 22.389 5.116 1.00 25.00 H new ATOM 0 HD2 TYR A 106 75.093 21.568 3.464 1.00 25.00 H new ATOM 0 HE1 TYR A 106 72.283 23.280 7.193 1.00 25.00 H new ATOM 0 HE2 TYR A 106 76.159 22.482 5.514 1.00 25.00 H new ATOM 0 HH TYR A 106 74.311 23.539 8.319 1.00 25.00 H new ATOM 429 N CYS A 107 70.536 24.322 2.640 1.00 25.00 N ATOM 430 CA CYS A 107 70.632 25.763 2.477 1.00 25.00 C ATOM 431 C CYS A 107 71.186 26.388 3.744 1.00 25.00 C ATOM 432 O CYS A 107 70.747 26.069 4.836 1.00 25.00 O ATOM 433 CB CYS A 107 69.252 26.342 2.171 1.00 25.00 C ATOM 434 SG CYS A 107 68.527 25.645 0.677 1.00 25.00 S ATOM 0 H CYS A 107 69.708 24.012 3.149 1.00 25.00 H new ATOM 0 HA CYS A 107 71.303 25.986 1.648 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.588 26.155 3.015 1.00 25.00 H new ATOM 0 HB3 CYS A 107 69.331 27.424 2.062 1.00 25.00 H new ATOM 0 HG CYS A 107 67.291 26.034 0.572 1.00 25.00 H new ATOM 440 N VAL A 108 72.161 27.273 3.590 1.00 25.00 N ATOM 441 CA VAL A 108 72.850 27.882 4.725 1.00 25.00 C ATOM 442 C VAL A 108 72.815 29.402 4.642 1.00 25.00 C ATOM 443 O VAL A 108 73.122 29.981 3.597 1.00 25.00 O ATOM 444 CB VAL A 108 74.341 27.412 4.764 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.031 27.854 6.070 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.424 25.889 4.631 1.00 25.00 C ATOM 0 H VAL A 108 72.497 27.590 2.681 1.00 25.00 H new ATOM 0 HA VAL A 108 72.334 27.566 5.632 1.00 25.00 H new ATOM 0 HB VAL A 108 74.857 27.877 3.924 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.066 27.513 6.068 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.007 28.941 6.144 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.508 27.421 6.923 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.468 25.578 4.660 1.00 25.00 H new ATOM 0 HG22 VAL A 108 73.883 25.422 5.454 1.00 25.00 H new ATOM 0 HG23 VAL A 108 73.980 25.582 3.684 1.00 25.00 H new ATOM 456 N ARG A 109 72.509 30.050 5.757 1.00 25.00 N ATOM 457 CA ARG A 109 72.621 31.504 5.867 1.00 25.00 C ATOM 458 C ARG A 109 73.720 31.772 6.862 1.00 25.00 C ATOM 459 O ARG A 109 73.981 30.948 7.732 1.00 25.00 O ATOM 460 CB ARG A 109 71.328 32.139 6.367 1.00 25.00 C ATOM 461 CG ARG A 109 70.188 32.100 5.365 1.00 25.00 C ATOM 462 CD ARG A 109 69.224 33.261 5.601 1.00 25.00 C ATOM 463 NE ARG A 109 69.812 34.530 5.139 1.00 25.00 N ATOM 464 CZ ARG A 109 69.858 35.670 5.821 1.00 25.00 C ATOM 465 NH1 ARG A 109 69.373 35.792 7.030 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 70.400 36.707 5.252 1.00 25.00 N ATOM 0 H ARG A 109 72.179 29.591 6.606 1.00 25.00 H new ATOM 0 HA ARG A 109 72.830 31.933 4.887 1.00 25.00 H new ATOM 0 HB2 ARG A 109 71.014 31.629 7.278 1.00 25.00 H new ATOM 0 HB3 ARG A 109 71.526 33.177 6.635 1.00 25.00 H new ATOM 0 HG2 ARG A 109 70.586 32.151 4.351 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.654 31.154 5.451 1.00 25.00 H new ATOM 0 HD2 ARG A 109 68.288 33.075 5.074 1.00 25.00 H new ATOM 0 HD3 ARG A 109 68.984 33.331 6.662 1.00 25.00 H new ATOM 0 HE ARG A 109 70.224 34.534 4.206 1.00 25.00 H new ATOM 0 HH11 ARG A 109 68.937 34.992 7.488 1.00 25.00 H new ATOM 0 HH12 ARG A 109 69.431 36.688 7.515 1.00 25.00 H new ATOM 0 HH21 ARG A 109 70.776 36.632 4.307 1.00 25.00 H new ATOM 0 HH22 ARG A 109 70.449 37.595 5.751 1.00 25.00 H new ATOM 480 N ARG A 110 74.352 32.932 6.764 1.00 25.00 N ATOM 481 CA ARG A 110 75.427 33.285 7.697 1.00 25.00 C ATOM 482 C ARG A 110 74.878 33.370 9.116 1.00 25.00 C ATOM 483 O ARG A 110 75.563 33.040 10.077 1.00 25.00 O ATOM 484 CB ARG A 110 76.058 34.624 7.281 1.00 25.00 C ATOM 485 CG ARG A 110 77.311 35.035 8.077 1.00 25.00 C ATOM 486 CD ARG A 110 78.471 34.048 7.899 1.00 25.00 C ATOM 487 NE ARG A 110 78.455 33.002 8.943 1.00 25.00 N ATOM 488 CZ ARG A 110 79.391 32.809 9.867 1.00 25.00 C ATOM 489 NH1 ARG A 110 80.473 33.545 9.940 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 79.223 31.855 10.737 1.00 25.00 N ATOM 0 H ARG A 110 74.147 33.641 6.060 1.00 25.00 H new ATOM 0 HA ARG A 110 76.196 32.513 7.669 1.00 25.00 H new ATOM 0 HB2 ARG A 110 76.320 34.571 6.224 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.308 35.408 7.385 1.00 25.00 H new ATOM 0 HG2 ARG A 110 77.631 36.027 7.758 1.00 25.00 H new ATOM 0 HG3 ARG A 110 77.058 35.106 9.135 1.00 25.00 H new ATOM 0 HD2 ARG A 110 78.407 33.583 6.915 1.00 25.00 H new ATOM 0 HD3 ARG A 110 79.418 34.587 7.936 1.00 25.00 H new ATOM 0 HE ARG A 110 77.653 32.371 8.956 1.00 25.00 H new ATOM 0 HH11 ARG A 110 80.622 34.301 9.271 1.00 25.00 H new ATOM 0 HH12 ARG A 110 81.166 33.362 10.666 1.00 25.00 H new ATOM 0 HH21 ARG A 110 78.386 31.273 10.701 1.00 25.00 H new ATOM 0 HH22 ARG A 110 79.929 31.689 11.455 1.00 25.00 H new ATOM 504 N ASP A 111 73.625 33.781 9.205 1.00 25.00 N ATOM 505 CA ASP A 111 72.907 33.986 10.459 1.00 25.00 C ATOM 506 C ASP A 111 72.339 32.695 11.071 1.00 25.00 C ATOM 507 O ASP A 111 71.432 32.750 11.895 1.00 25.00 O ATOM 508 CB ASP A 111 71.747 34.955 10.189 1.00 25.00 C ATOM 509 CG ASP A 111 72.148 36.092 9.262 1.00 25.00 C ATOM 510 OD1 ASP A 111 72.191 35.862 8.025 1.00 25.00 O ATOM 511 OD2 ASP A 111 72.440 37.197 9.749 1.00 25.00 O1- ATOM 0 H ASP A 111 73.058 33.989 8.383 1.00 25.00 H new ATOM 0 HA ASP A 111 73.623 34.381 11.180 1.00 25.00 H new ATOM 0 HB2 ASP A 111 70.914 34.407 9.749 1.00 25.00 H new ATOM 0 HB3 ASP A 111 71.394 35.367 11.134 1.00 25.00 H new ATOM 516 N LEU A 112 72.861 31.549 10.636 1.00 25.00 N ATOM 517 CA LEU A 112 72.464 30.213 11.131 1.00 25.00 C ATOM 518 C LEU A 112 70.979 29.895 10.927 1.00 25.00 C ATOM 519 O LEU A 112 70.404 29.069 11.618 1.00 25.00 O ATOM 520 CB LEU A 112 72.838 30.033 12.614 1.00 25.00 C ATOM 521 CG LEU A 112 74.306 30.291 12.993 1.00 25.00 C ATOM 522 CD1 LEU A 112 74.464 30.167 14.508 1.00 25.00 C ATOM 523 CD2 LEU A 112 75.256 29.309 12.289 1.00 25.00 C ATOM 0 H LEU A 112 73.584 31.512 9.918 1.00 25.00 H new ATOM 0 HA LEU A 112 73.026 29.503 10.524 1.00 25.00 H new ATOM 0 HB2 LEU A 112 72.212 30.700 13.206 1.00 25.00 H new ATOM 0 HB3 LEU A 112 72.585 29.014 12.907 1.00 25.00 H new ATOM 0 HG LEU A 112 74.570 31.297 12.668 1.00 25.00 H new ATOM 0 HD11 LEU A 112 75.503 30.349 14.782 1.00 25.00 H new ATOM 0 HD12 LEU A 112 73.825 30.899 15.002 1.00 25.00 H new ATOM 0 HD13 LEU A 112 74.176 29.164 14.823 1.00 25.00 H new ATOM 0 HD21 LEU A 112 76.284 29.523 12.582 1.00 25.00 H new ATOM 0 HD22 LEU A 112 75.002 28.288 12.576 1.00 25.00 H new ATOM 0 HD23 LEU A 112 75.157 29.418 11.209 1.00 25.00 H new ATOM 535 N SER A 113 70.386 30.517 9.920 1.00 25.00 N ATOM 536 CA SER A 113 68.996 30.260 9.522 1.00 25.00 C ATOM 537 C SER A 113 68.918 29.055 8.581 1.00 25.00 C ATOM 538 O SER A 113 68.102 29.009 7.669 1.00 25.00 O ATOM 539 CB SER A 113 68.433 31.488 8.825 1.00 25.00 C ATOM 540 OG SER A 113 69.108 32.654 9.274 1.00 25.00 O ATOM 0 H SER A 113 70.852 31.220 9.347 1.00 25.00 H new ATOM 0 HA SER A 113 68.411 30.042 10.416 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.544 31.386 7.745 1.00 25.00 H new ATOM 0 HB3 SER A 113 67.366 31.575 9.029 1.00 25.00 H new ATOM 0 HG SER A 113 68.741 33.440 8.819 1.00 25.00 H new ATOM 546 N GLU A 114 69.901 28.182 8.708 1.00 25.00 N ATOM 547 CA GLU A 114 70.101 27.066 7.794 1.00 25.00 C ATOM 548 C GLU A 114 69.062 25.952 7.954 1.00 25.00 C ATOM 549 O GLU A 114 68.480 25.769 9.024 1.00 25.00 O ATOM 550 CB GLU A 114 71.514 26.513 8.003 1.00 25.00 C ATOM 551 CG GLU A 114 71.794 25.965 9.394 1.00 25.00 C ATOM 552 CD GLU A 114 73.266 25.661 9.577 1.00 25.00 C ATOM 553 OE1 GLU A 114 74.072 26.620 9.614 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.631 24.468 9.628 1.00 25.00 O1- ATOM 0 H GLU A 114 70.592 28.226 9.457 1.00 25.00 H new ATOM 0 HA GLU A 114 69.976 27.442 6.779 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.688 25.720 7.275 1.00 25.00 H new ATOM 0 HB3 GLU A 114 72.232 27.305 7.790 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.473 26.688 10.144 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.210 25.059 9.555 1.00 25.00 H new ATOM 561 N VAL A 115 68.817 25.231 6.866 1.00 25.00 N ATOM 562 CA VAL A 115 67.807 24.176 6.825 1.00 25.00 C ATOM 563 C VAL A 115 68.252 23.151 5.779 1.00 25.00 C ATOM 564 O VAL A 115 68.972 23.492 4.842 1.00 25.00 O ATOM 565 CB VAL A 115 66.396 24.786 6.469 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.374 25.375 5.041 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.275 23.747 6.635 1.00 25.00 C ATOM 0 H VAL A 115 69.313 25.361 5.984 1.00 25.00 H new ATOM 0 HA VAL A 115 67.710 23.692 7.797 1.00 25.00 H new ATOM 0 HB VAL A 115 66.216 25.598 7.173 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.386 25.786 4.832 1.00 25.00 H new ATOM 0 HG12 VAL A 115 67.120 26.166 4.962 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.600 24.590 4.320 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.317 24.201 6.381 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.462 22.901 5.973 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.250 23.401 7.668 1.00 25.00 H new ATOM 577 N THR A 116 67.844 21.903 5.936 1.00 25.00 N ATOM 578 CA THR A 116 68.160 20.859 4.966 1.00 25.00 C ATOM 579 C THR A 116 66.889 20.059 4.718 1.00 25.00 C ATOM 580 O THR A 116 66.076 19.881 5.626 1.00 25.00 O ATOM 581 CB THR A 116 69.339 19.956 5.440 1.00 25.00 C ATOM 582 OG1 THR A 116 69.435 18.802 4.602 1.00 25.00 O ATOM 583 CG2 THR A 116 69.169 19.503 6.885 1.00 25.00 C ATOM 0 H THR A 116 67.289 21.583 6.730 1.00 25.00 H new ATOM 0 HA THR A 116 68.501 21.310 4.034 1.00 25.00 H new ATOM 0 HB THR A 116 70.249 20.553 5.374 1.00 25.00 H new ATOM 0 HG1 THR A 116 70.179 18.240 4.904 1.00 25.00 H new ATOM 0 HG21 THR A 116 70.014 18.876 7.172 1.00 25.00 H new ATOM 0 HG22 THR A 116 69.126 20.375 7.537 1.00 25.00 H new ATOM 0 HG23 THR A 116 68.245 18.933 6.981 1.00 25.00 H new ATOM 591 N PHE A 117 66.689 19.664 3.469 1.00 25.00 N ATOM 592 CA PHE A 117 65.472 18.986 3.028 1.00 25.00 C ATOM 593 C PHE A 117 65.829 18.183 1.783 1.00 25.00 C ATOM 594 O PHE A 117 66.984 18.175 1.368 1.00 25.00 O ATOM 595 CB PHE A 117 64.365 20.014 2.722 1.00 25.00 C ATOM 596 CG PHE A 117 64.767 21.074 1.729 1.00 25.00 C ATOM 597 CD1 PHE A 117 65.385 22.258 2.172 1.00 25.00 C ATOM 598 CD2 PHE A 117 64.506 20.911 0.353 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.743 23.274 1.257 1.00 25.00 C ATOM 600 CE2 PHE A 117 64.859 21.923 -0.576 1.00 25.00 C ATOM 601 CZ PHE A 117 65.478 23.109 -0.119 1.00 25.00 C ATOM 0 H PHE A 117 67.371 19.805 2.724 1.00 25.00 H new ATOM 0 HA PHE A 117 65.091 18.326 3.808 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.490 19.487 2.341 1.00 25.00 H new ATOM 0 HB3 PHE A 117 64.066 20.497 3.652 1.00 25.00 H new ATOM 0 HD1 PHE A 117 65.588 22.392 3.224 1.00 25.00 H new ATOM 0 HD2 PHE A 117 64.032 20.006 0.003 1.00 25.00 H new ATOM 0 HE1 PHE A 117 66.219 24.176 1.611 1.00 25.00 H new ATOM 0 HE2 PHE A 117 64.656 21.788 -1.628 1.00 25.00 H new ATOM 0 HZ PHE A 117 65.747 23.885 -0.820 1.00 25.00 H new ATOM 611 N SER A 118 64.857 17.516 1.181 1.00 25.00 N ATOM 612 CA SER A 118 65.106 16.741 -0.032 1.00 25.00 C ATOM 613 C SER A 118 64.028 17.014 -1.070 1.00 25.00 C ATOM 614 O SER A 118 62.903 17.346 -0.721 1.00 25.00 O ATOM 615 CB SER A 118 65.146 15.252 0.296 1.00 25.00 C ATOM 616 OG SER A 118 66.092 14.992 1.319 1.00 25.00 O ATOM 0 H SER A 118 63.891 17.493 1.508 1.00 25.00 H new ATOM 0 HA SER A 118 66.070 17.042 -0.442 1.00 25.00 H new ATOM 0 HB2 SER A 118 64.158 14.917 0.613 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.404 14.684 -0.598 1.00 25.00 H new ATOM 0 HG SER A 118 66.103 14.032 1.518 1.00 25.00 H new ATOM 622 N LEU A 119 64.387 16.879 -2.337 1.00 25.00 N ATOM 623 CA LEU A 119 63.485 17.143 -3.454 1.00 25.00 C ATOM 624 C LEU A 119 63.455 15.956 -4.397 1.00 25.00 C ATOM 625 O LEU A 119 64.468 15.287 -4.593 1.00 25.00 O ATOM 626 CB LEU A 119 63.973 18.364 -4.240 1.00 25.00 C ATOM 627 CG LEU A 119 63.475 19.736 -3.771 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.251 20.813 -4.508 1.00 25.00 C ATOM 629 CD2 LEU A 119 61.975 19.892 -4.045 1.00 25.00 C ATOM 0 H LEU A 119 65.319 16.581 -2.624 1.00 25.00 H new ATOM 0 HA LEU A 119 62.488 17.324 -3.052 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.063 18.371 -4.213 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.681 18.235 -5.282 1.00 25.00 H new ATOM 0 HG LEU A 119 63.633 19.829 -2.697 1.00 25.00 H new ATOM 0 HD11 LEU A 119 63.907 21.795 -4.184 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.314 20.710 -4.289 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.090 20.708 -5.581 1.00 25.00 H new ATOM 0 HD21 LEU A 119 61.643 20.873 -3.704 1.00 25.00 H new ATOM 0 HD22 LEU A 119 61.789 19.797 -5.115 1.00 25.00 H new ATOM 0 HD23 LEU A 119 61.425 19.117 -3.511 1.00 25.00 H new ATOM 641 N GLN A 120 62.302 15.724 -5.005 1.00 25.00 N ATOM 642 CA GLN A 120 62.142 14.658 -5.993 1.00 25.00 C ATOM 643 C GLN A 120 62.066 15.314 -7.365 1.00 25.00 C ATOM 644 O GLN A 120 61.242 16.201 -7.585 1.00 25.00 O ATOM 645 CB GLN A 120 60.885 13.832 -5.715 1.00 25.00 C ATOM 646 CG GLN A 120 60.978 13.034 -4.420 1.00 25.00 C ATOM 647 CD GLN A 120 59.747 12.198 -4.160 1.00 25.00 C ATOM 648 OE1 GLN A 120 59.243 11.527 -5.038 1.00 25.00 O ATOM 649 NE2 GLN A 120 59.267 12.227 -2.944 1.00 25.00 N ATOM 0 H GLN A 120 61.453 16.263 -4.832 1.00 25.00 H new ATOM 0 HA GLN A 120 62.987 13.971 -5.945 1.00 25.00 H new ATOM 0 HB2 GLN A 120 60.022 14.497 -5.666 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.714 13.148 -6.546 1.00 25.00 H new ATOM 0 HG2 GLN A 120 61.852 12.384 -4.461 1.00 25.00 H new ATOM 0 HG3 GLN A 120 61.129 13.719 -3.586 1.00 25.00 H new ATOM 0 HE21 GLN A 120 59.717 12.802 -2.232 1.00 25.00 H new ATOM 0 HE22 GLN A 120 58.443 11.674 -2.708 1.00 25.00 H new ATOM 658 N VAL A 121 62.978 14.934 -8.247 1.00 25.00 N ATOM 659 CA VAL A 121 63.129 15.571 -9.559 1.00 25.00 C ATOM 660 C VAL A 121 63.496 14.530 -10.612 1.00 25.00 C ATOM 661 O VAL A 121 63.905 13.428 -10.279 1.00 25.00 O ATOM 662 CB VAL A 121 64.256 16.649 -9.515 1.00 25.00 C ATOM 663 CG1 VAL A 121 63.817 17.855 -8.682 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.556 16.068 -8.927 1.00 25.00 C ATOM 0 H VAL A 121 63.638 14.175 -8.079 1.00 25.00 H new ATOM 0 HA VAL A 121 62.180 16.041 -9.816 1.00 25.00 H new ATOM 0 HB VAL A 121 64.445 16.968 -10.540 1.00 25.00 H new ATOM 0 HG11 VAL A 121 64.617 18.595 -8.664 1.00 25.00 H new ATOM 0 HG12 VAL A 121 62.924 18.297 -9.124 1.00 25.00 H new ATOM 0 HG13 VAL A 121 63.597 17.533 -7.664 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.324 16.841 -8.908 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.371 15.716 -7.912 1.00 25.00 H new ATOM 0 HG23 VAL A 121 65.894 15.235 -9.544 1.00 25.00 H new ATOM 674 N ASP A 122 63.357 14.889 -11.879 1.00 25.00 N ATOM 675 CA ASP A 122 63.747 14.013 -12.990 1.00 25.00 C ATOM 676 C ASP A 122 65.280 14.048 -13.106 1.00 25.00 C ATOM 677 O ASP A 122 65.915 15.004 -12.675 1.00 25.00 O ATOM 678 CB ASP A 122 63.082 14.513 -14.290 1.00 25.00 C ATOM 679 CG ASP A 122 63.038 13.450 -15.396 1.00 25.00 C ATOM 680 OD1 ASP A 122 64.115 12.982 -15.828 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 61.927 13.119 -15.863 1.00 25.00 O1- ATOM 0 H ASP A 122 62.974 15.788 -12.172 1.00 25.00 H new ATOM 0 HA ASP A 122 63.421 12.988 -12.815 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.066 14.839 -14.068 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.624 15.385 -14.655 1.00 25.00 H new ATOM 686 N ALA A 123 65.879 13.036 -13.711 1.00 25.00 N ATOM 687 CA ALA A 123 67.320 13.036 -13.947 1.00 25.00 C ATOM 688 C ALA A 123 67.672 14.119 -14.982 1.00 25.00 C ATOM 689 O ALA A 123 68.762 14.708 -14.951 1.00 25.00 O ATOM 690 CB ALA A 123 67.763 11.656 -14.440 1.00 25.00 C ATOM 0 H ALA A 123 65.395 12.204 -14.048 1.00 25.00 H new ATOM 0 HA ALA A 123 67.843 13.257 -13.017 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.839 11.660 -14.615 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.521 10.906 -13.687 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.245 11.418 -15.369 1.00 25.00 H new ATOM 696 N ASP A 124 66.741 14.368 -15.894 1.00 25.00 N ATOM 697 CA ASP A 124 66.945 15.333 -16.981 1.00 25.00 C ATOM 698 C ASP A 124 66.530 16.756 -16.587 1.00 25.00 C ATOM 699 O ASP A 124 66.551 17.675 -17.397 1.00 25.00 O ATOM 700 CB ASP A 124 66.137 14.890 -18.204 1.00 25.00 C ATOM 701 CG ASP A 124 66.727 15.400 -19.512 1.00 25.00 C ATOM 702 OD1 ASP A 124 67.975 15.550 -19.591 1.00 25.00 O ATOM 703 OD2 ASP A 124 65.963 15.552 -20.489 1.00 25.00 O1- ATOM 0 H ASP A 124 65.828 13.914 -15.907 1.00 25.00 H new ATOM 0 HA ASP A 124 68.011 15.355 -17.207 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.092 13.801 -18.230 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.112 15.249 -18.107 1.00 25.00 H new ATOM 708 N PHE A 125 66.148 16.935 -15.331 1.00 25.00 N ATOM 709 CA PHE A 125 65.711 18.241 -14.835 1.00 25.00 C ATOM 710 C PHE A 125 66.861 19.250 -14.941 1.00 25.00 C ATOM 711 O PHE A 125 67.985 18.961 -14.529 1.00 25.00 O ATOM 712 CB PHE A 125 65.276 18.084 -13.379 1.00 25.00 C ATOM 713 CG PHE A 125 64.124 18.947 -12.979 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.816 18.597 -13.361 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.324 20.079 -12.172 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.711 19.374 -12.947 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.224 20.853 -11.736 1.00 25.00 C ATOM 718 CZ PHE A 125 61.918 20.503 -12.127 1.00 25.00 C ATOM 0 H PHE A 125 66.130 16.193 -14.632 1.00 25.00 H new ATOM 0 HA PHE A 125 64.876 18.609 -15.431 1.00 25.00 H new ATOM 0 HB2 PHE A 125 65.011 17.042 -13.203 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.124 18.310 -12.733 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.655 17.725 -13.977 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.326 20.360 -11.882 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.712 19.105 -13.257 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.386 21.713 -11.103 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.077 21.097 -11.800 1.00 25.00 H new ATOM 728 N GLU A 126 66.586 20.420 -15.500 1.00 25.00 N ATOM 729 CA GLU A 126 67.616 21.449 -15.675 1.00 25.00 C ATOM 730 C GLU A 126 68.028 22.006 -14.329 1.00 25.00 C ATOM 731 O GLU A 126 67.199 22.122 -13.432 1.00 25.00 O ATOM 732 CB GLU A 126 67.081 22.630 -16.483 1.00 25.00 C ATOM 733 CG GLU A 126 66.808 22.356 -17.947 1.00 25.00 C ATOM 734 CD GLU A 126 66.343 23.621 -18.665 1.00 25.00 C ATOM 735 OE1 GLU A 126 66.157 24.657 -17.976 1.00 25.00 O ATOM 736 OE2 GLU A 126 66.153 23.588 -19.897 1.00 25.00 O1- ATOM 0 H GLU A 126 65.662 20.685 -15.841 1.00 25.00 H new ATOM 0 HA GLU A 126 68.453 20.978 -16.190 1.00 25.00 H new ATOM 0 HB2 GLU A 126 66.157 22.975 -16.019 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.798 23.448 -16.413 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.711 21.975 -18.423 1.00 25.00 H new ATOM 0 HG3 GLU A 126 66.047 21.581 -18.040 1.00 25.00 H new ATOM 743 N LEU A 127 69.270 22.454 -14.205 1.00 25.00 N ATOM 744 CA LEU A 127 69.713 23.101 -12.973 1.00 25.00 C ATOM 745 C LEU A 127 68.965 24.412 -12.759 1.00 25.00 C ATOM 746 O LEU A 127 68.734 24.822 -11.623 1.00 25.00 O ATOM 747 CB LEU A 127 71.222 23.374 -13.005 1.00 25.00 C ATOM 748 CG LEU A 127 72.123 22.429 -12.194 1.00 25.00 C ATOM 749 CD1 LEU A 127 71.767 22.457 -10.697 1.00 25.00 C ATOM 750 CD2 LEU A 127 72.039 21.010 -12.722 1.00 25.00 C ATOM 0 H LEU A 127 69.983 22.384 -14.931 1.00 25.00 H new ATOM 0 HA LEU A 127 69.497 22.423 -12.148 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.549 23.344 -14.044 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.389 24.390 -12.648 1.00 25.00 H new ATOM 0 HG LEU A 127 73.147 22.784 -12.308 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.424 21.777 -10.154 1.00 25.00 H new ATOM 0 HD12 LEU A 127 71.893 23.469 -10.312 1.00 25.00 H new ATOM 0 HD13 LEU A 127 70.731 22.145 -10.563 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.686 20.363 -12.130 1.00 25.00 H new ATOM 0 HD22 LEU A 127 71.010 20.656 -12.653 1.00 25.00 H new ATOM 0 HD23 LEU A 127 72.360 20.990 -13.763 1.00 25.00 H new ATOM 762 N HIS A 128 68.555 25.057 -13.843 1.00 25.00 N ATOM 763 CA HIS A 128 67.779 26.290 -13.745 1.00 25.00 C ATOM 764 C HIS A 128 66.421 26.018 -13.108 1.00 25.00 C ATOM 765 O HIS A 128 65.935 26.793 -12.290 1.00 25.00 O ATOM 766 CB HIS A 128 67.571 26.910 -15.128 1.00 25.00 C ATOM 767 CG HIS A 128 67.055 28.311 -15.070 1.00 25.00 C ATOM 768 ND1 HIS A 128 65.730 28.648 -14.930 1.00 25.00 N ATOM 769 CD2 HIS A 128 67.716 29.499 -15.117 1.00 25.00 C ATOM 770 CE1 HIS A 128 65.640 29.973 -14.888 1.00 25.00 C ATOM 771 NE2 HIS A 128 66.822 30.545 -14.990 1.00 25.00 N ATOM 0 H HIS A 128 68.745 24.750 -14.797 1.00 25.00 H new ATOM 0 HA HIS A 128 68.338 26.987 -13.121 1.00 25.00 H new ATOM 0 HB2 HIS A 128 68.516 26.899 -15.670 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.872 26.295 -15.694 1.00 25.00 H new ATOM 0 HD2 HIS A 128 68.784 29.609 -15.236 1.00 25.00 H new ATOM 0 HE1 HIS A 128 64.711 30.515 -14.783 1.00 25.00 H new ATOM 0 HE2 HIS A 128 67.032 31.543 -14.978 1.00 25.00 H new ATOM 779 N ASN A 129 65.818 24.899 -13.471 1.00 25.00 N ATOM 780 CA ASN A 129 64.526 24.522 -12.916 1.00 25.00 C ATOM 781 C ASN A 129 64.727 23.981 -11.492 1.00 25.00 C ATOM 782 O ASN A 129 63.945 24.242 -10.587 1.00 25.00 O ATOM 783 CB ASN A 129 63.879 23.473 -13.827 1.00 25.00 C ATOM 784 CG ASN A 129 62.378 23.407 -13.667 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.819 23.941 -12.732 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.724 22.771 -14.598 1.00 25.00 N ATOM 0 H ASN A 129 66.200 24.236 -14.146 1.00 25.00 H new ATOM 0 HA ASN A 129 63.864 25.386 -12.862 1.00 25.00 H new ATOM 0 HB2 ASN A 129 64.120 23.701 -14.865 1.00 25.00 H new ATOM 0 HB3 ASN A 129 64.307 22.495 -13.608 1.00 25.00 H new ATOM 0 HD21 ASN A 129 60.707 22.710 -14.556 1.00 25.00 H new ATOM 0 HD22 ASN A 129 62.230 22.335 -15.369 1.00 25.00 H new ATOM 793 N PHE A 130 65.825 23.271 -11.286 1.00 25.00 N ATOM 794 CA PHE A 130 66.150 22.719 -9.974 1.00 25.00 C ATOM 795 C PHE A 130 66.325 23.812 -8.930 1.00 25.00 C ATOM 796 O PHE A 130 65.777 23.717 -7.837 1.00 25.00 O ATOM 797 CB PHE A 130 67.428 21.889 -10.049 1.00 25.00 C ATOM 798 CG PHE A 130 67.791 21.234 -8.752 1.00 25.00 C ATOM 799 CD1 PHE A 130 66.989 20.206 -8.234 1.00 25.00 C ATOM 800 CD2 PHE A 130 68.936 21.637 -8.040 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.325 19.567 -7.016 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.288 21.005 -6.820 1.00 25.00 C ATOM 803 CZ PHE A 130 68.480 19.964 -6.312 1.00 25.00 C ATOM 0 H PHE A 130 66.510 23.061 -12.012 1.00 25.00 H new ATOM 0 HA PHE A 130 65.314 22.087 -9.674 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.309 21.122 -10.814 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.250 22.530 -10.366 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.104 19.898 -8.771 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.553 22.435 -8.426 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.698 18.778 -6.627 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.170 21.319 -6.282 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.746 19.474 -5.387 1.00 25.00 H new ATOM 813 N ARG A 131 67.055 24.871 -9.261 1.00 25.00 N ATOM 814 CA ARG A 131 67.243 25.967 -8.308 1.00 25.00 C ATOM 815 C ARG A 131 65.923 26.687 -8.042 1.00 25.00 C ATOM 816 O ARG A 131 65.729 27.208 -6.960 1.00 25.00 O ATOM 817 CB ARG A 131 68.332 26.957 -8.761 1.00 25.00 C ATOM 818 CG ARG A 131 67.968 27.806 -9.975 1.00 25.00 C ATOM 819 CD ARG A 131 69.035 28.833 -10.281 1.00 25.00 C ATOM 820 NE ARG A 131 68.618 29.717 -11.384 1.00 25.00 N ATOM 821 CZ ARG A 131 69.283 30.791 -11.796 1.00 25.00 C ATOM 822 NH1 ARG A 131 70.406 31.172 -11.241 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 68.811 31.498 -12.782 1.00 25.00 N ATOM 0 H ARG A 131 67.519 24.997 -10.161 1.00 25.00 H new ATOM 0 HA ARG A 131 67.589 25.524 -7.374 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.566 27.621 -7.929 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.239 26.397 -8.987 1.00 25.00 H new ATOM 0 HG2 ARG A 131 67.826 27.160 -10.841 1.00 25.00 H new ATOM 0 HG3 ARG A 131 67.019 28.310 -9.795 1.00 25.00 H new ATOM 0 HD2 ARG A 131 69.238 29.428 -9.391 1.00 25.00 H new ATOM 0 HD3 ARG A 131 69.964 28.329 -10.546 1.00 25.00 H new ATOM 0 HE ARG A 131 67.751 29.486 -11.869 1.00 25.00 H new ATOM 0 HH11 ARG A 131 70.798 30.638 -10.465 1.00 25.00 H new ATOM 0 HH12 ARG A 131 70.889 32.002 -11.584 1.00 25.00 H new ATOM 0 HH21 ARG A 131 67.937 31.226 -13.232 1.00 25.00 H new ATOM 0 HH22 ARG A 131 69.315 32.324 -13.104 1.00 25.00 H new ATOM 837 N ALA A 132 65.009 26.678 -9.004 1.00 25.00 N ATOM 838 CA ALA A 132 63.697 27.292 -8.809 1.00 25.00 C ATOM 839 C ALA A 132 62.882 26.451 -7.820 1.00 25.00 C ATOM 840 O ALA A 132 62.208 26.985 -6.953 1.00 25.00 O ATOM 841 CB ALA A 132 62.960 27.424 -10.149 1.00 25.00 C ATOM 0 H ALA A 132 65.148 26.256 -9.922 1.00 25.00 H new ATOM 0 HA ALA A 132 63.827 28.294 -8.399 1.00 25.00 H new ATOM 0 HB1 ALA A 132 61.985 27.883 -9.984 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.545 28.047 -10.826 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.826 26.436 -10.589 1.00 25.00 H new ATOM 847 N LEU A 133 62.984 25.133 -7.918 1.00 25.00 N ATOM 848 CA LEU A 133 62.309 24.255 -6.960 1.00 25.00 C ATOM 849 C LEU A 133 62.925 24.428 -5.569 1.00 25.00 C ATOM 850 O LEU A 133 62.219 24.440 -4.571 1.00 25.00 O ATOM 851 CB LEU A 133 62.411 22.791 -7.402 1.00 25.00 C ATOM 852 CG LEU A 133 61.154 22.220 -8.078 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.808 22.947 -9.382 1.00 25.00 C ATOM 854 CD2 LEU A 133 61.367 20.734 -8.358 1.00 25.00 C ATOM 0 H LEU A 133 63.519 24.649 -8.639 1.00 25.00 H new ATOM 0 HA LEU A 133 61.255 24.530 -6.921 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.250 22.694 -8.091 1.00 25.00 H new ATOM 0 HB3 LEU A 133 62.643 22.181 -6.529 1.00 25.00 H new ATOM 0 HG LEU A 133 60.316 22.366 -7.397 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.913 22.505 -9.819 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.627 24.002 -9.174 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.638 22.853 -10.082 1.00 25.00 H new ATOM 0 HD21 LEU A 133 60.479 20.323 -8.838 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.226 20.607 -9.017 1.00 25.00 H new ATOM 0 HD23 LEU A 133 61.548 20.209 -7.420 1.00 25.00 H new ATOM 866 N CYS A 134 64.236 24.613 -5.512 1.00 25.00 N ATOM 867 CA CYS A 134 64.908 24.866 -4.238 1.00 25.00 C ATOM 868 C CYS A 134 64.427 26.188 -3.639 1.00 25.00 C ATOM 869 O CYS A 134 64.213 26.286 -2.439 1.00 25.00 O ATOM 870 CB CYS A 134 66.427 24.933 -4.432 1.00 25.00 C ATOM 871 SG CYS A 134 67.171 23.394 -5.017 1.00 25.00 S ATOM 0 H CYS A 134 64.854 24.594 -6.323 1.00 25.00 H new ATOM 0 HA CYS A 134 64.666 24.046 -3.562 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.656 25.727 -5.143 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.891 25.210 -3.485 1.00 25.00 H new ATOM 0 HG CYS A 134 66.797 23.170 -6.242 1.00 25.00 H new ATOM 877 N GLU A 135 64.260 27.196 -4.484 1.00 25.00 N ATOM 878 CA GLU A 135 63.792 28.514 -4.047 1.00 25.00 C ATOM 879 C GLU A 135 62.396 28.397 -3.443 1.00 25.00 C ATOM 880 O GLU A 135 62.102 29.017 -2.424 1.00 25.00 O ATOM 881 CB GLU A 135 63.766 29.480 -5.244 1.00 25.00 C ATOM 882 CG GLU A 135 63.403 30.912 -4.891 1.00 25.00 C ATOM 883 CD GLU A 135 63.299 31.814 -6.116 1.00 25.00 C ATOM 884 OE1 GLU A 135 64.275 31.877 -6.899 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 62.262 32.491 -6.283 1.00 25.00 O1- ATOM 0 H GLU A 135 64.442 27.130 -5.485 1.00 25.00 H new ATOM 0 HA GLU A 135 64.474 28.902 -3.290 1.00 25.00 H new ATOM 0 HB2 GLU A 135 64.746 29.474 -5.721 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.052 29.108 -5.979 1.00 25.00 H new ATOM 0 HG2 GLU A 135 62.452 30.920 -4.358 1.00 25.00 H new ATOM 0 HG3 GLU A 135 64.153 31.315 -4.211 1.00 25.00 H new ATOM 892 N LEU A 136 61.558 27.576 -4.061 1.00 25.00 N ATOM 893 CA LEU A 136 60.183 27.374 -3.606 1.00 25.00 C ATOM 894 C LEU A 136 60.146 26.784 -2.194 1.00 25.00 C ATOM 895 O LEU A 136 59.402 27.254 -1.339 1.00 25.00 O ATOM 896 CB LEU A 136 59.467 26.446 -4.600 1.00 25.00 C ATOM 897 CG LEU A 136 57.963 26.668 -4.843 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.529 25.795 -6.024 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.106 26.334 -3.626 1.00 25.00 C ATOM 0 H LEU A 136 61.807 27.033 -4.887 1.00 25.00 H new ATOM 0 HA LEU A 136 59.674 28.337 -3.566 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.976 26.529 -5.560 1.00 25.00 H new ATOM 0 HB3 LEU A 136 59.602 25.421 -4.256 1.00 25.00 H new ATOM 0 HG LEU A 136 57.814 27.727 -5.052 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.465 25.939 -6.211 1.00 25.00 H new ATOM 0 HD12 LEU A 136 58.095 26.076 -6.912 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.718 24.747 -5.791 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.056 26.511 -3.861 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.246 25.287 -3.358 1.00 25.00 H new ATOM 0 HD23 LEU A 136 57.402 26.965 -2.788 1.00 25.00 H new ATOM 911 N GLU A 137 60.962 25.767 -1.954 1.00 25.00 N ATOM 912 CA GLU A 137 61.001 25.105 -0.647 1.00 25.00 C ATOM 913 C GLU A 137 61.677 25.972 0.421 1.00 25.00 C ATOM 914 O GLU A 137 61.325 25.919 1.597 1.00 25.00 O ATOM 915 CB GLU A 137 61.785 23.791 -0.751 1.00 25.00 C ATOM 916 CG GLU A 137 61.138 22.727 -1.633 1.00 25.00 C ATOM 917 CD GLU A 137 59.799 22.241 -1.093 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.752 21.765 0.064 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 58.799 22.294 -1.842 1.00 25.00 O1- ATOM 0 H GLU A 137 61.607 25.379 -2.643 1.00 25.00 H new ATOM 0 HA GLU A 137 59.967 24.926 -0.353 1.00 25.00 H new ATOM 0 HB2 GLU A 137 62.780 24.008 -1.139 1.00 25.00 H new ATOM 0 HB3 GLU A 137 61.915 23.382 0.251 1.00 25.00 H new ATOM 0 HG2 GLU A 137 60.994 23.131 -2.635 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.816 21.878 -1.726 1.00 25.00 H new ATOM 926 N SER A 138 62.695 26.719 0.017 1.00 25.00 N ATOM 927 CA SER A 138 63.522 27.465 0.970 1.00 25.00 C ATOM 928 C SER A 138 63.016 28.870 1.293 1.00 25.00 C ATOM 929 O SER A 138 63.352 29.423 2.339 1.00 25.00 O ATOM 930 CB SER A 138 64.940 27.585 0.427 1.00 25.00 C ATOM 931 OG SER A 138 65.438 26.321 0.041 1.00 25.00 O ATOM 0 H SER A 138 62.972 26.828 -0.959 1.00 25.00 H new ATOM 0 HA SER A 138 63.480 26.894 1.898 1.00 25.00 H new ATOM 0 HB2 SER A 138 64.951 28.262 -0.428 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.589 28.020 1.187 1.00 25.00 H new ATOM 0 HG SER A 138 65.108 26.099 -0.855 1.00 25.00 H new ATOM 937 N GLY A 139 62.265 29.475 0.383 1.00 25.00 N ATOM 938 CA GLY A 139 61.788 30.836 0.588 1.00 25.00 C ATOM 939 C GLY A 139 62.910 31.867 0.641 1.00 25.00 C ATOM 940 O GLY A 139 62.817 32.858 1.364 1.00 25.00 O ATOM 0 H GLY A 139 61.975 29.049 -0.497 1.00 25.00 H new ATOM 0 HA2 GLY A 139 61.101 31.098 -0.217 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.221 30.879 1.518 1.00 25.00 H new ATOM 944 N ILE A 140 63.981 31.634 -0.109 1.00 25.00 N ATOM 945 CA ILE A 140 65.142 32.534 -0.100 1.00 25.00 C ATOM 946 C ILE A 140 65.315 33.257 -1.442 1.00 25.00 C ATOM 947 O ILE A 140 65.023 32.700 -2.488 1.00 25.00 O ATOM 948 CB ILE A 140 66.468 31.766 0.253 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.776 30.636 -0.758 1.00 25.00 C ATOM 950 CG2 ILE A 140 66.382 31.174 1.674 1.00 25.00 C ATOM 951 CD1 ILE A 140 67.789 31.013 -1.841 1.00 25.00 C ATOM 0 H ILE A 140 64.075 30.832 -0.732 1.00 25.00 H new ATOM 0 HA ILE A 140 64.947 33.276 0.674 1.00 25.00 H new ATOM 0 HB ILE A 140 67.280 32.492 0.202 1.00 25.00 H new ATOM 0 HG12 ILE A 140 67.151 29.770 -0.213 1.00 25.00 H new ATOM 0 HG13 ILE A 140 65.846 30.332 -1.238 1.00 25.00 H new ATOM 0 HG21 ILE A 140 67.307 30.645 1.904 1.00 25.00 H new ATOM 0 HG22 ILE A 140 66.234 31.978 2.395 1.00 25.00 H new ATOM 0 HG23 ILE A 140 65.544 30.479 1.729 1.00 25.00 H new ATOM 0 HD11 ILE A 140 67.945 30.163 -2.505 1.00 25.00 H new ATOM 0 HD12 ILE A 140 67.410 31.858 -2.416 1.00 25.00 H new ATOM 0 HD13 ILE A 140 68.735 31.287 -1.375 1.00 25.00 H new ATOM 963 N PRO A 141 65.801 34.514 -1.428 1.00 25.00 N ATOM 964 CA PRO A 141 66.026 35.153 -2.731 1.00 25.00 C ATOM 965 C PRO A 141 67.187 34.516 -3.492 1.00 25.00 C ATOM 966 O PRO A 141 68.320 34.496 -3.003 1.00 25.00 O ATOM 967 CB PRO A 141 66.376 36.605 -2.349 1.00 25.00 C ATOM 968 CG PRO A 141 65.909 36.753 -0.932 1.00 25.00 C ATOM 969 CD PRO A 141 66.175 35.422 -0.332 1.00 25.00 C ATOM 0 HA PRO A 141 65.163 35.060 -3.390 1.00 25.00 H new ATOM 0 HB2 PRO A 141 67.447 36.789 -2.433 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.878 37.318 -3.006 1.00 25.00 H new ATOM 0 HG2 PRO A 141 66.452 37.542 -0.412 1.00 25.00 H new ATOM 0 HG3 PRO A 141 64.851 37.009 -0.884 1.00 25.00 H new ATOM 0 HD2 PRO A 141 67.220 35.305 -0.044 1.00 25.00 H new ATOM 0 HD3 PRO A 141 65.576 35.250 0.563 1.00 25.00 H new ATOM 977 N ALA A 142 66.927 34.023 -4.696 1.00 25.00 N ATOM 978 CA ALA A 142 67.979 33.400 -5.505 1.00 25.00 C ATOM 979 C ALA A 142 69.095 34.396 -5.833 1.00 25.00 C ATOM 980 O ALA A 142 70.259 34.022 -5.939 1.00 25.00 O ATOM 981 CB ALA A 142 67.383 32.831 -6.792 1.00 25.00 C ATOM 0 H ALA A 142 66.007 34.039 -5.135 1.00 25.00 H new ATOM 0 HA ALA A 142 68.416 32.589 -4.923 1.00 25.00 H new ATOM 0 HB1 ALA A 142 68.172 32.370 -7.386 1.00 25.00 H new ATOM 0 HB2 ALA A 142 66.631 32.082 -6.545 1.00 25.00 H new ATOM 0 HB3 ALA A 142 66.920 33.634 -7.365 1.00 25.00 H new ATOM 987 N ALA A 143 68.729 35.663 -5.975 1.00 25.00 N ATOM 988 CA ALA A 143 69.682 36.726 -6.308 1.00 25.00 C ATOM 989 C ALA A 143 70.758 36.919 -5.228 1.00 25.00 C ATOM 990 O ALA A 143 71.839 37.425 -5.507 1.00 25.00 O ATOM 991 CB ALA A 143 68.919 38.041 -6.526 1.00 25.00 C ATOM 0 H ALA A 143 67.768 35.987 -5.864 1.00 25.00 H new ATOM 0 HA ALA A 143 70.199 36.429 -7.220 1.00 25.00 H new ATOM 0 HB1 ALA A 143 69.624 38.834 -6.774 1.00 25.00 H new ATOM 0 HB2 ALA A 143 68.209 37.918 -7.344 1.00 25.00 H new ATOM 0 HB3 ALA A 143 68.382 38.305 -5.615 1.00 25.00 H new ATOM 997 N GLU A 144 70.444 36.531 -4.000 1.00 25.00 N ATOM 998 CA GLU A 144 71.353 36.709 -2.867 1.00 25.00 C ATOM 999 C GLU A 144 72.016 35.383 -2.494 1.00 25.00 C ATOM 1000 O GLU A 144 72.559 35.227 -1.390 1.00 25.00 O ATOM 1001 CB GLU A 144 70.566 37.260 -1.672 1.00 25.00 C ATOM 1002 CG GLU A 144 69.978 38.645 -1.936 1.00 25.00 C ATOM 1003 CD GLU A 144 69.225 39.193 -0.736 1.00 25.00 C ATOM 1004 OE1 GLU A 144 69.820 39.298 0.359 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 68.028 39.512 -0.889 1.00 25.00 O1- ATOM 0 H GLU A 144 69.559 36.086 -3.758 1.00 25.00 H new ATOM 0 HA GLU A 144 72.137 37.413 -3.146 1.00 25.00 H new ATOM 0 HB2 GLU A 144 69.760 36.569 -1.425 1.00 25.00 H new ATOM 0 HB3 GLU A 144 71.222 37.309 -0.803 1.00 25.00 H new ATOM 0 HG2 GLU A 144 70.781 39.333 -2.203 1.00 25.00 H new ATOM 0 HG3 GLU A 144 69.305 38.594 -2.792 1.00 25.00 H new ATOM 1012 N SER A 145 71.946 34.412 -3.397 1.00 25.00 N ATOM 1013 CA SER A 145 72.468 33.078 -3.115 1.00 25.00 C ATOM 1014 C SER A 145 73.323 32.477 -4.223 1.00 25.00 C ATOM 1015 O SER A 145 73.272 32.892 -5.377 1.00 25.00 O ATOM 1016 CB SER A 145 71.303 32.130 -2.836 1.00 25.00 C ATOM 1017 OG SER A 145 70.603 31.825 -4.027 1.00 25.00 O ATOM 0 H SER A 145 71.536 34.521 -4.325 1.00 25.00 H new ATOM 0 HA SER A 145 73.122 33.197 -2.251 1.00 25.00 H new ATOM 0 HB2 SER A 145 71.677 31.211 -2.384 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.623 32.585 -2.116 1.00 25.00 H new ATOM 0 HG SER A 145 70.574 32.618 -4.602 1.00 25.00 H new ATOM 1023 N GLN A 146 74.074 31.449 -3.858 1.00 25.00 N ATOM 1024 CA GLN A 146 74.853 30.664 -4.808 1.00 25.00 C ATOM 1025 C GLN A 146 74.584 29.197 -4.495 1.00 25.00 C ATOM 1026 O GLN A 146 74.262 28.855 -3.356 1.00 25.00 O ATOM 1027 CB GLN A 146 76.355 30.979 -4.697 1.00 25.00 C ATOM 1028 CG GLN A 146 77.009 30.501 -3.388 1.00 25.00 C ATOM 1029 CD GLN A 146 78.477 30.865 -3.295 1.00 25.00 C ATOM 1030 OE1 GLN A 146 78.926 31.417 -2.305 1.00 25.00 O ATOM 1031 NE2 GLN A 146 79.234 30.523 -4.308 1.00 25.00 N ATOM 0 H GLN A 146 74.162 31.133 -2.892 1.00 25.00 H new ATOM 0 HA GLN A 146 74.561 30.905 -5.830 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.874 30.518 -5.538 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.496 32.056 -4.787 1.00 25.00 H new ATOM 0 HG2 GLN A 146 76.478 30.937 -2.542 1.00 25.00 H new ATOM 0 HG3 GLN A 146 76.902 29.419 -3.308 1.00 25.00 H new ATOM 0 HE21 GLN A 146 78.822 30.062 -5.120 1.00 25.00 H new ATOM 0 HE22 GLN A 146 80.235 30.717 -4.285 1.00 25.00 H new ATOM 1040 N ILE A 147 74.723 28.337 -5.495 1.00 25.00 N ATOM 1041 CA ILE A 147 74.445 26.910 -5.338 1.00 25.00 C ATOM 1042 C ILE A 147 75.698 26.107 -5.747 1.00 25.00 C ATOM 1043 O ILE A 147 76.378 26.433 -6.732 1.00 25.00 O ATOM 1044 CB ILE A 147 73.146 26.534 -6.136 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.665 25.132 -5.731 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.359 26.681 -7.663 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.330 24.701 -6.382 1.00 25.00 C ATOM 0 H ILE A 147 75.029 28.602 -6.431 1.00 25.00 H new ATOM 0 HA ILE A 147 74.239 26.655 -4.299 1.00 25.00 H new ATOM 0 HB ILE A 147 72.354 27.236 -5.876 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.435 24.407 -5.995 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.554 25.098 -4.647 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.441 26.413 -8.186 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.621 27.713 -7.896 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.165 26.021 -7.983 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.066 23.700 -6.041 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.544 25.401 -6.098 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.438 24.698 -7.467 1.00 25.00 H new ATOM 1059 N VAL A 148 76.070 25.157 -4.896 1.00 25.00 N ATOM 1060 CA VAL A 148 77.355 24.455 -4.968 1.00 25.00 C ATOM 1061 C VAL A 148 77.157 22.942 -4.802 1.00 25.00 C ATOM 1062 O VAL A 148 76.431 22.500 -3.922 1.00 25.00 O ATOM 1063 CB VAL A 148 78.287 24.974 -3.808 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.644 24.263 -3.800 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.513 26.494 -3.938 1.00 25.00 C ATOM 0 H VAL A 148 75.481 24.845 -4.124 1.00 25.00 H new ATOM 0 HA VAL A 148 77.806 24.648 -5.941 1.00 25.00 H new ATOM 0 HB VAL A 148 77.779 24.753 -2.869 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.254 24.652 -2.985 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.493 23.192 -3.662 1.00 25.00 H new ATOM 0 HG13 VAL A 148 80.152 24.438 -4.748 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.159 26.836 -3.129 1.00 25.00 H new ATOM 0 HG22 VAL A 148 78.985 26.711 -4.896 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.555 27.011 -3.881 1.00 25.00 H new ATOM 1075 N TYR A 149 77.837 22.158 -5.621 1.00 25.00 N ATOM 1076 CA TYR A 149 77.800 20.696 -5.528 1.00 25.00 C ATOM 1077 C TYR A 149 79.215 20.201 -5.799 1.00 25.00 C ATOM 1078 O TYR A 149 79.933 20.818 -6.579 1.00 25.00 O ATOM 1079 CB TYR A 149 76.823 20.135 -6.558 1.00 25.00 C ATOM 1080 CG TYR A 149 77.147 18.731 -7.010 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.978 17.624 -6.146 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.635 18.498 -8.310 1.00 25.00 C ATOM 1083 CE1 TYR A 149 77.282 16.305 -6.590 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.937 17.190 -8.750 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.751 16.107 -7.890 1.00 25.00 C ATOM 1086 OH TYR A 149 78.037 14.848 -8.343 1.00 25.00 O ATOM 0 H TYR A 149 78.432 22.510 -6.371 1.00 25.00 H new ATOM 0 HA TYR A 149 77.463 20.368 -4.545 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.818 20.147 -6.135 1.00 25.00 H new ATOM 0 HB3 TYR A 149 76.811 20.792 -7.428 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.615 17.780 -5.141 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.781 19.332 -8.981 1.00 25.00 H new ATOM 0 HE1 TYR A 149 77.151 15.464 -5.925 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.311 17.029 -9.750 1.00 25.00 H new ATOM 0 HH TYR A 149 78.017 14.840 -9.323 1.00 25.00 H new ATOM 1096 N ALA A 150 79.627 19.143 -5.104 1.00 25.00 N ATOM 1097 CA ALA A 150 80.989 18.600 -5.205 1.00 25.00 C ATOM 1098 C ALA A 150 82.036 19.710 -4.991 1.00 25.00 C ATOM 1099 O ALA A 150 83.040 19.789 -5.697 1.00 25.00 O ATOM 1100 CB ALA A 150 81.190 17.892 -6.566 1.00 25.00 C ATOM 0 H ALA A 150 79.029 18.634 -4.453 1.00 25.00 H new ATOM 0 HA ALA A 150 81.126 17.859 -4.417 1.00 25.00 H new ATOM 0 HB1 ALA A 150 82.204 17.496 -6.624 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.475 17.075 -6.660 1.00 25.00 H new ATOM 0 HB3 ALA A 150 81.033 18.606 -7.374 1.00 25.00 H new ATOM 1106 N GLU A 151 81.731 20.583 -4.031 1.00 25.00 N ATOM 1107 CA GLU A 151 82.560 21.746 -3.662 1.00 25.00 C ATOM 1108 C GLU A 151 82.833 22.742 -4.808 1.00 25.00 C ATOM 1109 O GLU A 151 83.723 23.590 -4.703 1.00 25.00 O ATOM 1110 CB GLU A 151 83.881 21.296 -3.018 1.00 25.00 C ATOM 1111 CG GLU A 151 83.676 20.444 -1.772 1.00 25.00 C ATOM 1112 CD GLU A 151 84.961 20.273 -0.979 1.00 25.00 C ATOM 1113 OE1 GLU A 151 85.932 19.694 -1.509 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.005 20.749 0.177 1.00 25.00 O1- ATOM 0 H GLU A 151 80.882 20.505 -3.471 1.00 25.00 H new ATOM 0 HA GLU A 151 81.961 22.296 -2.937 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.460 20.730 -3.747 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.470 22.175 -2.757 1.00 25.00 H new ATOM 0 HG2 GLU A 151 82.918 20.905 -1.139 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.296 19.464 -2.062 1.00 25.00 H new ATOM 1121 N ARG A 152 82.045 22.684 -5.876 1.00 25.00 N ATOM 1122 CA ARG A 152 82.198 23.610 -7.005 1.00 25.00 C ATOM 1123 C ARG A 152 80.863 24.267 -7.349 1.00 25.00 C ATOM 1124 O ARG A 152 79.811 23.643 -7.227 1.00 25.00 O ATOM 1125 CB ARG A 152 82.741 22.853 -8.221 1.00 25.00 C ATOM 1126 CG ARG A 152 84.117 22.256 -7.972 1.00 25.00 C ATOM 1127 CD ARG A 152 84.661 21.547 -9.189 1.00 25.00 C ATOM 1128 NE ARG A 152 85.930 20.879 -8.861 1.00 25.00 N ATOM 1129 CZ ARG A 152 86.742 20.295 -9.734 1.00 25.00 C ATOM 1130 NH1 ARG A 152 86.486 20.269 -11.019 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 87.834 19.730 -9.302 1.00 25.00 N ATOM 0 H ARG A 152 81.291 22.006 -5.989 1.00 25.00 H new ATOM 0 HA ARG A 152 82.902 24.393 -6.723 1.00 25.00 H new ATOM 0 HB2 ARG A 152 82.047 22.057 -8.488 1.00 25.00 H new ATOM 0 HB3 ARG A 152 82.792 23.531 -9.073 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.806 23.047 -7.676 1.00 25.00 H new ATOM 0 HG3 ARG A 152 84.061 21.554 -7.140 1.00 25.00 H new ATOM 0 HD2 ARG A 152 83.937 20.814 -9.546 1.00 25.00 H new ATOM 0 HD3 ARG A 152 84.816 22.262 -9.997 1.00 25.00 H new ATOM 0 HE ARG A 152 86.210 20.863 -7.880 1.00 25.00 H new ATOM 0 HH11 ARG A 152 85.638 20.707 -11.379 1.00 25.00 H new ATOM 0 HH12 ARG A 152 87.134 19.810 -11.659 1.00 25.00 H new ATOM 0 HH21 ARG A 152 88.054 19.741 -8.306 1.00 25.00 H new ATOM 0 HH22 ARG A 152 88.468 19.277 -9.960 1.00 25.00 H new ATOM 1145 N PRO A 153 80.880 25.549 -7.750 1.00 25.00 N ATOM 1146 CA PRO A 153 79.580 26.151 -8.058 1.00 25.00 C ATOM 1147 C PRO A 153 78.981 25.606 -9.350 1.00 25.00 C ATOM 1148 O PRO A 153 79.694 25.309 -10.311 1.00 25.00 O ATOM 1149 CB PRO A 153 79.916 27.638 -8.185 1.00 25.00 C ATOM 1150 CG PRO A 153 81.321 27.653 -8.664 1.00 25.00 C ATOM 1151 CD PRO A 153 81.982 26.513 -7.937 1.00 25.00 C ATOM 0 HA PRO A 153 78.828 25.936 -7.299 1.00 25.00 H new ATOM 0 HB2 PRO A 153 79.250 28.138 -8.888 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.815 28.152 -7.229 1.00 25.00 H new ATOM 0 HG2 PRO A 153 81.373 27.518 -9.744 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.807 28.602 -8.438 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.798 26.084 -8.518 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.403 26.833 -6.984 1.00 25.00 H new ATOM 1159 N LEU A 154 77.664 25.495 -9.373 1.00 25.00 N ATOM 1160 CA LEU A 154 76.947 25.012 -10.555 1.00 25.00 C ATOM 1161 C LEU A 154 76.645 26.215 -11.447 1.00 0.00 C ATOM 1162 O LEU A 154 75.559 26.783 -11.397 1.00 25.00 O ATOM 1163 CB LEU A 154 75.651 24.306 -10.143 1.00 25.00 C ATOM 1164 CG LEU A 154 75.836 23.053 -9.267 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.822 23.041 -8.135 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.691 21.802 -10.103 1.00 25.00 C ATOM 0 H LEU A 154 77.061 25.733 -8.585 1.00 25.00 H new ATOM 0 HA LEU A 154 77.557 24.289 -11.097 1.00 25.00 H new ATOM 0 HB2 LEU A 154 75.024 25.017 -9.604 1.00 25.00 H new ATOM 0 HB3 LEU A 154 75.108 24.022 -11.045 1.00 25.00 H new ATOM 0 HG LEU A 154 76.838 23.078 -8.839 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.967 22.149 -7.526 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.957 23.928 -7.516 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.814 23.037 -8.550 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.824 20.924 -9.471 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.698 21.778 -10.553 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.446 21.800 -10.889 1.00 25.00 H new ATOM 1178 N THR A 155 77.648 26.661 -12.189 1.00 25.00 N ATOM 1179 CA THR A 155 77.537 27.894 -12.969 1.00 25.00 C ATOM 1180 C THR A 155 76.714 27.742 -14.246 1.00 25.00 C ATOM 1181 O THR A 155 76.099 28.697 -14.705 1.00 25.00 O ATOM 1182 CB THR A 155 78.932 28.409 -13.373 1.00 25.00 C ATOM 1183 OG1 THR A 155 79.630 27.382 -14.085 1.00 25.00 O ATOM 1184 CG2 THR A 155 79.754 28.767 -12.145 1.00 25.00 C ATOM 0 H THR A 155 78.549 26.191 -12.270 1.00 25.00 H new ATOM 0 HA THR A 155 77.025 28.598 -12.314 1.00 25.00 H new ATOM 0 HB THR A 155 78.799 29.295 -13.994 1.00 25.00 H new ATOM 0 HG1 THR A 155 80.517 27.709 -14.344 1.00 25.00 H new ATOM 0 HG21 THR A 155 80.734 29.128 -12.456 1.00 25.00 H new ATOM 0 HG22 THR A 155 79.243 29.546 -11.580 1.00 25.00 H new ATOM 0 HG23 THR A 155 79.875 27.884 -11.518 1.00 25.00 H new ATOM 1192 N ASP A 156 76.711 26.554 -14.831 1.00 25.00 N ATOM 1193 CA ASP A 156 75.940 26.317 -16.052 1.00 25.00 C ATOM 1194 C ASP A 156 74.587 25.740 -15.670 1.00 25.00 C ATOM 1195 O ASP A 156 74.471 24.565 -15.318 1.00 25.00 O ATOM 1196 CB ASP A 156 76.674 25.369 -16.993 1.00 25.00 C ATOM 1197 CG ASP A 156 75.941 25.180 -18.303 1.00 25.00 C ATOM 1198 OD1 ASP A 156 74.910 25.855 -18.527 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 76.399 24.356 -19.116 1.00 25.00 O1- ATOM 0 H ASP A 156 77.227 25.743 -14.488 1.00 25.00 H new ATOM 0 HA ASP A 156 75.807 27.262 -16.579 1.00 25.00 H new ATOM 0 HB2 ASP A 156 77.673 25.758 -17.191 1.00 25.00 H new ATOM 0 HB3 ASP A 156 76.799 24.402 -16.506 1.00 25.00 H new ATOM 1204 N ASN A 157 73.571 26.586 -15.687 1.00 25.00 N ATOM 1205 CA ASN A 157 72.241 26.183 -15.239 1.00 25.00 C ATOM 1206 C ASN A 157 71.431 25.498 -16.340 1.00 25.00 C ATOM 1207 O ASN A 157 70.374 24.942 -16.070 1.00 25.00 O ATOM 1208 CB ASN A 157 71.462 27.399 -14.717 1.00 25.00 C ATOM 1209 CG ASN A 157 72.094 28.030 -13.490 1.00 25.00 C ATOM 1210 OD1 ASN A 157 72.837 27.264 -12.734 1.00 25.00 O flip ATOM 1211 ND2 ASN A 157 71.893 29.204 -13.226 1.00 25.00 N flip ATOM 0 H ASN A 157 73.637 27.553 -16.004 1.00 25.00 H new ATOM 0 HA ASN A 157 72.388 25.460 -14.437 1.00 25.00 H new ATOM 0 HB2 ASN A 157 71.394 28.146 -15.508 1.00 25.00 H new ATOM 0 HB3 ASN A 157 70.443 27.095 -14.477 1.00 25.00 H new ATOM 0 HD21 ASN A 157 71.308 29.772 -13.839 1.00 25.00 H new ATOM 0 HD22 ASN A 157 72.310 29.618 -12.392 1.00 25.00 H new ATOM 1218 N HIS A 158 71.922 25.527 -17.570 1.00 25.00 N ATOM 1219 CA HIS A 158 71.203 24.920 -18.695 1.00 25.00 C ATOM 1220 C HIS A 158 71.420 23.412 -18.709 1.00 25.00 C ATOM 1221 O HIS A 158 70.705 22.668 -19.365 1.00 25.00 O ATOM 1222 CB HIS A 158 71.707 25.510 -20.012 1.00 25.00 C ATOM 1223 CG HIS A 158 71.839 27.000 -19.986 1.00 25.00 C ATOM 1224 ND1 HIS A 158 73.015 27.659 -19.737 1.00 25.00 N ATOM 1225 CD2 HIS A 158 70.914 27.979 -20.173 1.00 25.00 C ATOM 1226 CE1 HIS A 158 72.777 28.965 -19.782 1.00 25.00 C ATOM 1227 NE2 HIS A 158 71.511 29.220 -20.035 1.00 25.00 N ATOM 0 H HIS A 158 72.811 25.961 -17.820 1.00 25.00 H new ATOM 0 HA HIS A 158 70.140 25.130 -18.580 1.00 25.00 H new ATOM 0 HB2 HIS A 158 72.676 25.071 -20.250 1.00 25.00 H new ATOM 0 HB3 HIS A 158 71.024 25.228 -20.813 1.00 25.00 H new ATOM 0 HD1 HIS A 158 73.917 27.222 -19.549 1.00 25.00 H new ATOM 0 HD2 HIS A 158 69.870 27.813 -20.396 1.00 25.00 H new ATOM 0 HE1 HIS A 158 73.530 29.724 -19.630 1.00 25.00 H new ATOM 1235 N ARG A 159 72.435 22.971 -17.985 1.00 25.00 N ATOM 1236 CA ARG A 159 72.745 21.551 -17.893 1.00 25.00 C ATOM 1237 C ARG A 159 71.728 20.864 -17.007 1.00 25.00 C ATOM 1238 O ARG A 159 71.249 21.450 -16.039 1.00 25.00 O ATOM 1239 CB ARG A 159 74.133 21.363 -17.296 1.00 25.00 C ATOM 1240 CG ARG A 159 75.211 21.237 -18.334 1.00 25.00 C ATOM 1241 CD ARG A 159 76.580 21.219 -17.684 1.00 25.00 C ATOM 1242 NE ARG A 159 77.550 20.496 -18.521 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.209 21.004 -19.557 1.00 25.00 C ATOM 1244 NH1 ARG A 159 78.062 22.239 -19.965 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.036 20.235 -20.207 1.00 25.00 N ATOM 0 H ARG A 159 73.060 23.575 -17.451 1.00 25.00 H new ATOM 0 HA ARG A 159 72.716 21.116 -18.892 1.00 25.00 H new ATOM 0 HB2 ARG A 159 74.360 22.209 -16.647 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.134 20.471 -16.670 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.064 20.323 -18.909 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.147 22.069 -19.035 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.924 22.241 -17.523 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.515 20.746 -16.704 1.00 25.00 H new ATOM 0 HE ARG A 159 77.732 19.520 -18.286 1.00 25.00 H new ATOM 0 HH11 ARG A 159 77.416 22.863 -19.481 1.00 25.00 H new ATOM 0 HH12 ARG A 159 78.593 22.578 -20.767 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.166 19.266 -19.917 1.00 25.00 H new ATOM 0 HH22 ARG A 159 79.553 20.602 -21.006 1.00 25.00 H new ATOM 1259 N SER A 160 71.450 19.607 -17.305 1.00 25.00 N ATOM 1260 CA SER A 160 70.592 18.797 -16.460 1.00 25.00 C ATOM 1261 C SER A 160 71.407 18.292 -15.277 1.00 25.00 C ATOM 1262 O SER A 160 72.644 18.322 -15.299 1.00 25.00 O ATOM 1263 CB SER A 160 70.027 17.618 -17.251 1.00 25.00 C ATOM 1264 OG SER A 160 71.066 16.803 -17.772 1.00 25.00 O ATOM 0 H SER A 160 71.808 19.124 -18.129 1.00 25.00 H new ATOM 0 HA SER A 160 69.756 19.399 -16.103 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.381 17.021 -16.607 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.408 17.988 -18.068 1.00 25.00 H new ATOM 0 HG SER A 160 70.676 16.056 -18.272 1.00 25.00 H new ATOM 1270 N LEU A 161 70.721 17.806 -14.256 1.00 25.00 N ATOM 1271 CA LEU A 161 71.370 17.268 -13.058 1.00 25.00 C ATOM 1272 C LEU A 161 72.258 16.077 -13.428 1.00 25.00 C ATOM 1273 O LEU A 161 73.396 15.946 -12.945 1.00 25.00 O ATOM 1274 CB LEU A 161 70.286 16.842 -12.065 1.00 25.00 C ATOM 1275 CG LEU A 161 69.424 17.999 -11.527 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.125 17.466 -10.994 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.141 18.771 -10.436 1.00 25.00 C ATOM 0 H LEU A 161 69.702 17.770 -14.228 1.00 25.00 H new ATOM 0 HA LEU A 161 72.002 18.031 -12.603 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.634 16.114 -12.548 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.760 16.337 -11.223 1.00 25.00 H new ATOM 0 HG LEU A 161 69.233 18.681 -12.355 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.521 18.291 -10.615 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.585 16.958 -11.793 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.325 16.762 -10.186 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.501 19.579 -10.082 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.372 18.101 -9.608 1.00 25.00 H new ATOM 0 HD23 LEU A 161 71.066 19.188 -10.834 1.00 25.00 H new ATOM 1289 N ALA A 162 71.777 15.258 -14.355 1.00 25.00 N ATOM 1290 CA ALA A 162 72.536 14.114 -14.850 1.00 25.00 C ATOM 1291 C ALA A 162 73.888 14.529 -15.452 1.00 25.00 C ATOM 1292 O ALA A 162 74.856 13.776 -15.381 1.00 25.00 O ATOM 1293 CB ALA A 162 71.704 13.360 -15.895 1.00 25.00 C ATOM 0 H ALA A 162 70.857 15.366 -14.783 1.00 25.00 H new ATOM 0 HA ALA A 162 72.748 13.464 -14.001 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.271 12.506 -16.264 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.777 13.011 -15.439 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.471 14.027 -16.725 1.00 25.00 H new ATOM 1299 N SER A 163 73.971 15.728 -16.015 1.00 25.00 N ATOM 1300 CA SER A 163 75.217 16.200 -16.626 1.00 25.00 C ATOM 1301 C SER A 163 76.293 16.514 -15.583 1.00 25.00 C ATOM 1302 O SER A 163 77.479 16.567 -15.912 1.00 25.00 O ATOM 1303 CB SER A 163 74.958 17.440 -17.482 1.00 25.00 C ATOM 1304 OG SER A 163 76.118 17.785 -18.228 1.00 25.00 O ATOM 0 H SER A 163 73.198 16.391 -16.064 1.00 25.00 H new ATOM 0 HA SER A 163 75.587 15.390 -17.254 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.125 17.253 -18.160 1.00 25.00 H new ATOM 0 HB3 SER A 163 74.668 18.275 -16.844 1.00 25.00 H new ATOM 0 HG SER A 163 76.918 17.497 -17.741 1.00 25.00 H new ATOM 1310 N TYR A 164 75.893 16.686 -14.329 1.00 25.00 N ATOM 1311 CA TYR A 164 76.846 16.899 -13.238 1.00 25.00 C ATOM 1312 C TYR A 164 77.039 15.598 -12.464 1.00 25.00 C ATOM 1313 O TYR A 164 77.871 15.513 -11.565 1.00 25.00 O ATOM 1314 CB TYR A 164 76.332 17.975 -12.287 1.00 25.00 C ATOM 1315 CG TYR A 164 76.431 19.370 -12.848 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.644 20.084 -12.782 1.00 25.00 C ATOM 1317 CD2 TYR A 164 75.316 19.997 -13.437 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.740 21.407 -13.281 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.407 21.328 -13.931 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.617 22.020 -13.841 1.00 25.00 C ATOM 1321 OH TYR A 164 76.704 23.310 -14.293 1.00 25.00 O ATOM 0 H TYR A 164 74.915 16.683 -14.039 1.00 25.00 H new ATOM 0 HA TYR A 164 77.796 17.222 -13.663 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.291 17.764 -12.041 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.896 17.925 -11.356 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.514 19.616 -12.345 1.00 25.00 H new ATOM 0 HD2 TYR A 164 74.381 19.461 -13.515 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.678 21.939 -13.228 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.543 21.802 -14.374 1.00 25.00 H new ATOM 0 HH TYR A 164 75.833 23.595 -14.640 1.00 25.00 H new ATOM 1331 N GLY A 165 76.252 14.589 -12.807 1.00 25.00 N ATOM 1332 CA GLY A 165 76.293 13.328 -12.088 1.00 25.00 C ATOM 1333 C GLY A 165 75.520 13.414 -10.787 1.00 25.00 C ATOM 1334 O GLY A 165 75.747 12.624 -9.876 1.00 25.00 O ATOM 0 H GLY A 165 75.581 14.620 -13.575 1.00 25.00 H new ATOM 0 HA2 GLY A 165 75.875 12.537 -12.711 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.329 13.057 -11.882 1.00 25.00 H new ATOM 1338 N LEU A 166 74.607 14.375 -10.698 1.00 25.00 N ATOM 1339 CA LEU A 166 73.804 14.563 -9.490 1.00 25.00 C ATOM 1340 C LEU A 166 72.766 13.460 -9.397 1.00 25.00 C ATOM 1341 O LEU A 166 71.639 13.614 -9.848 1.00 25.00 O ATOM 1342 CB LEU A 166 73.131 15.941 -9.511 1.00 25.00 C ATOM 1343 CG LEU A 166 74.007 17.059 -8.947 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.589 18.428 -9.454 1.00 25.00 C ATOM 1345 CD2 LEU A 166 73.918 17.027 -7.436 1.00 25.00 C ATOM 0 H LEU A 166 74.403 15.037 -11.447 1.00 25.00 H new ATOM 0 HA LEU A 166 74.450 14.514 -8.614 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.858 16.187 -10.537 1.00 25.00 H new ATOM 0 HB3 LEU A 166 72.205 15.892 -8.938 1.00 25.00 H new ATOM 0 HG LEU A 166 75.031 16.891 -9.280 1.00 25.00 H new ATOM 0 HD11 LEU A 166 74.241 19.189 -9.025 1.00 25.00 H new ATOM 0 HD12 LEU A 166 73.667 18.453 -10.541 1.00 25.00 H new ATOM 0 HD13 LEU A 166 72.558 18.626 -9.160 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.538 17.820 -7.018 1.00 25.00 H new ATOM 0 HD22 LEU A 166 72.883 17.177 -7.129 1.00 25.00 H new ATOM 0 HD23 LEU A 166 74.269 16.062 -7.071 1.00 25.00 H new ATOM 1357 N LYS A 167 73.192 12.328 -8.865 1.00 25.00 N ATOM 1358 CA LYS A 167 72.337 11.143 -8.725 1.00 25.00 C ATOM 1359 C LYS A 167 71.567 11.133 -7.415 1.00 25.00 C ATOM 1360 O LYS A 167 71.825 11.924 -6.516 1.00 25.00 O ATOM 1361 CB LYS A 167 73.198 9.887 -8.781 1.00 25.00 C ATOM 1362 CG LYS A 167 73.840 9.667 -10.121 1.00 25.00 C ATOM 1363 CD LYS A 167 74.660 8.411 -10.085 1.00 25.00 C ATOM 1364 CE LYS A 167 75.375 8.213 -11.399 1.00 25.00 C ATOM 1365 NZ LYS A 167 76.181 6.956 -11.351 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.141 12.196 -8.515 1.00 25.00 H new ATOM 0 HA LYS A 167 71.618 11.169 -9.544 1.00 25.00 H new ATOM 0 HB2 LYS A 167 73.975 9.953 -8.020 1.00 25.00 H new ATOM 0 HB3 LYS A 167 72.583 9.022 -8.534 1.00 25.00 H new ATOM 0 HG2 LYS A 167 73.075 9.592 -10.894 1.00 25.00 H new ATOM 0 HG3 LYS A 167 74.471 10.518 -10.378 1.00 25.00 H new ATOM 0 HD2 LYS A 167 75.385 8.466 -9.273 1.00 25.00 H new ATOM 0 HD3 LYS A 167 74.017 7.555 -9.881 1.00 25.00 H new ATOM 0 HE2 LYS A 167 74.652 8.162 -12.213 1.00 25.00 H new ATOM 0 HE3 LYS A 167 76.024 9.065 -11.603 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 76.672 6.824 -12.258 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 76.881 7.022 -10.585 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 75.552 6.147 -11.176 1.00 25.00 H new ATOM 1379 N ASP A 168 70.659 10.181 -7.295 1.00 25.00 N ATOM 1380 CA ASP A 168 69.901 9.982 -6.069 1.00 25.00 C ATOM 1381 C ASP A 168 70.854 9.805 -4.891 1.00 25.00 C ATOM 1382 O ASP A 168 71.788 9.009 -4.934 1.00 25.00 O ATOM 1383 CB ASP A 168 68.968 8.759 -6.182 1.00 25.00 C ATOM 1384 CG ASP A 168 69.659 7.527 -6.778 1.00 25.00 C ATOM 1385 OD1 ASP A 168 70.077 7.576 -7.967 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.671 6.478 -6.107 1.00 25.00 O1- ATOM 0 H ASP A 168 70.426 9.525 -8.041 1.00 25.00 H new ATOM 0 HA ASP A 168 69.283 10.865 -5.905 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.585 8.510 -5.193 1.00 25.00 H new ATOM 0 HB3 ASP A 168 68.109 9.021 -6.800 1.00 25.00 H new ATOM 1391 N GLY A 169 70.621 10.593 -3.850 1.00 25.00 N ATOM 1392 CA GLY A 169 71.457 10.554 -2.661 1.00 25.00 C ATOM 1393 C GLY A 169 72.484 11.667 -2.583 1.00 25.00 C ATOM 1394 O GLY A 169 73.022 11.920 -1.505 1.00 25.00 O ATOM 0 H GLY A 169 69.858 11.268 -3.806 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.817 10.603 -1.780 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.974 9.595 -2.626 1.00 25.00 H new ATOM 1398 N ASP A 170 72.758 12.355 -3.687 1.00 25.00 N ATOM 1399 CA ASP A 170 73.719 13.464 -3.652 1.00 25.00 C ATOM 1400 C ASP A 170 73.176 14.636 -2.836 1.00 25.00 C ATOM 1401 O ASP A 170 71.958 14.799 -2.668 1.00 25.00 O ATOM 1402 CB ASP A 170 74.066 13.948 -5.062 1.00 25.00 C ATOM 1403 CG ASP A 170 75.296 13.263 -5.624 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.341 13.272 -4.930 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.251 12.773 -6.771 1.00 25.00 O1- ATOM 0 H ASP A 170 72.341 12.174 -4.600 1.00 25.00 H new ATOM 0 HA ASP A 170 74.624 13.085 -3.177 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.219 13.767 -5.724 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.231 15.025 -5.043 1.00 25.00 H new ATOM 1410 N VAL A 171 74.095 15.449 -2.326 1.00 25.00 N ATOM 1411 CA VAL A 171 73.751 16.601 -1.493 1.00 25.00 C ATOM 1412 C VAL A 171 74.219 17.884 -2.177 1.00 25.00 C ATOM 1413 O VAL A 171 75.389 18.010 -2.555 1.00 25.00 O ATOM 1414 CB VAL A 171 74.414 16.501 -0.080 1.00 25.00 C ATOM 1415 CG1 VAL A 171 73.960 17.670 0.824 1.00 25.00 C ATOM 1416 CG2 VAL A 171 74.068 15.155 0.592 1.00 25.00 C ATOM 0 H VAL A 171 75.097 15.331 -2.476 1.00 25.00 H new ATOM 0 HA VAL A 171 72.669 16.614 -1.365 1.00 25.00 H new ATOM 0 HB VAL A 171 75.494 16.560 -0.214 1.00 25.00 H new ATOM 0 HG11 VAL A 171 74.434 17.579 1.801 1.00 25.00 H new ATOM 0 HG12 VAL A 171 74.249 18.617 0.367 1.00 25.00 H new ATOM 0 HG13 VAL A 171 72.877 17.639 0.942 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.539 15.107 1.574 1.00 25.00 H new ATOM 0 HG22 VAL A 171 72.987 15.072 0.704 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.433 14.335 -0.027 1.00 25.00 H new ATOM 1426 N VAL A 172 73.312 18.837 -2.325 1.00 25.00 N ATOM 1427 CA VAL A 172 73.624 20.122 -2.939 1.00 25.00 C ATOM 1428 C VAL A 172 73.613 21.171 -1.836 1.00 25.00 C ATOM 1429 O VAL A 172 72.707 21.193 -1.016 1.00 25.00 O ATOM 1430 CB VAL A 172 72.574 20.480 -4.025 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.022 21.708 -4.807 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.379 19.299 -4.985 1.00 25.00 C ATOM 0 H VAL A 172 72.342 18.744 -2.025 1.00 25.00 H new ATOM 0 HA VAL A 172 74.599 20.080 -3.424 1.00 25.00 H new ATOM 0 HB VAL A 172 71.627 20.698 -3.531 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.277 21.948 -5.565 1.00 25.00 H new ATOM 0 HG12 VAL A 172 73.133 22.552 -4.127 1.00 25.00 H new ATOM 0 HG13 VAL A 172 73.978 21.503 -5.290 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.640 19.563 -5.742 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.327 19.064 -5.470 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.032 18.430 -4.427 1.00 25.00 H new ATOM 1442 N ILE A 173 74.627 22.020 -1.794 1.00 25.00 N ATOM 1443 CA ILE A 173 74.742 23.033 -0.747 1.00 25.00 C ATOM 1444 C ILE A 173 74.452 24.402 -1.346 1.00 25.00 C ATOM 1445 O ILE A 173 75.076 24.811 -2.320 1.00 25.00 O ATOM 1446 CB ILE A 173 76.161 23.032 -0.099 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.489 21.625 0.447 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.233 24.092 1.051 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.938 21.443 0.938 1.00 25.00 C ATOM 0 H ILE A 173 75.387 22.031 -2.474 1.00 25.00 H new ATOM 0 HA ILE A 173 74.020 22.801 0.036 1.00 25.00 H new ATOM 0 HB ILE A 173 76.897 23.296 -0.859 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.811 21.403 1.271 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.291 20.892 -0.335 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.229 24.081 1.494 1.00 25.00 H new ATOM 0 HG22 ILE A 173 76.027 25.083 0.646 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.493 23.851 1.814 1.00 25.00 H new ATOM 0 HD11 ILE A 173 78.073 20.425 1.303 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.627 21.628 0.114 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.140 22.147 1.745 1.00 25.00 H new ATOM 1461 N LEU A 174 73.515 25.119 -0.756 1.00 25.00 N ATOM 1462 CA LEU A 174 73.158 26.460 -1.204 1.00 25.00 C ATOM 1463 C LEU A 174 73.564 27.427 -0.103 1.00 25.00 C ATOM 1464 O LEU A 174 73.371 27.145 1.070 1.00 25.00 O ATOM 1465 CB LEU A 174 71.651 26.521 -1.482 1.00 25.00 C ATOM 1466 CG LEU A 174 71.089 27.869 -1.967 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.964 27.628 -2.970 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.565 28.715 -0.797 1.00 25.00 C ATOM 0 H LEU A 174 72.978 24.793 0.047 1.00 25.00 H new ATOM 0 HA LEU A 174 73.670 26.725 -2.129 1.00 25.00 H new ATOM 0 HB2 LEU A 174 71.413 25.765 -2.230 1.00 25.00 H new ATOM 0 HB3 LEU A 174 71.125 26.243 -0.569 1.00 25.00 H new ATOM 0 HG LEU A 174 71.900 28.419 -2.445 1.00 25.00 H new ATOM 0 HD11 LEU A 174 69.569 28.585 -3.311 1.00 25.00 H new ATOM 0 HD12 LEU A 174 70.350 27.071 -3.823 1.00 25.00 H new ATOM 0 HD13 LEU A 174 69.168 27.056 -2.493 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.176 29.660 -1.177 1.00 25.00 H new ATOM 0 HD22 LEU A 174 69.769 28.174 -0.285 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.378 28.912 -0.098 1.00 25.00 H new ATOM 1480 N ARG A 175 74.135 28.563 -0.469 1.00 25.00 N ATOM 1481 CA ARG A 175 74.531 29.576 0.515 1.00 25.00 C ATOM 1482 C ARG A 175 73.882 30.889 0.149 1.00 25.00 C ATOM 1483 O ARG A 175 74.066 31.375 -0.956 1.00 25.00 O ATOM 1484 CB ARG A 175 76.049 29.748 0.549 1.00 25.00 C ATOM 1485 CG ARG A 175 76.789 28.538 1.092 1.00 25.00 C ATOM 1486 CD ARG A 175 78.278 28.825 1.174 1.00 25.00 C ATOM 1487 NE ARG A 175 79.017 27.698 1.769 1.00 25.00 N ATOM 1488 CZ ARG A 175 80.330 27.665 1.971 1.00 25.00 C ATOM 1489 NH1 ARG A 175 81.113 28.665 1.638 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 80.863 26.610 2.522 1.00 25.00 N ATOM 0 H ARG A 175 74.337 28.813 -1.437 1.00 25.00 H new ATOM 0 HA ARG A 175 74.205 29.252 1.504 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.405 29.958 -0.460 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.294 30.617 1.160 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.406 28.282 2.080 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.613 27.676 0.448 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.665 29.028 0.175 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.443 29.723 1.769 1.00 25.00 H new ATOM 0 HE ARG A 175 78.478 26.878 2.048 1.00 25.00 H new ATOM 0 HH11 ARG A 175 80.717 29.502 1.209 1.00 25.00 H new ATOM 0 HH12 ARG A 175 82.117 28.605 1.808 1.00 25.00 H new ATOM 0 HH21 ARG A 175 80.273 25.823 2.792 1.00 25.00 H new ATOM 0 HH22 ARG A 175 81.870 26.572 2.683 1.00 25.00 H new ATOM 1504 N GLN A 176 73.114 31.452 1.078 1.00 25.00 N ATOM 1505 CA GLN A 176 72.411 32.732 0.894 1.00 25.00 C ATOM 1506 C GLN A 176 72.957 33.793 1.859 1.00 25.00 C ATOM 1507 O GLN A 176 73.117 33.594 3.054 1.00 25.00 O ATOM 1508 CB GLN A 176 70.881 32.526 1.036 1.00 25.00 C ATOM 1509 CG GLN A 176 70.072 33.768 0.596 1.00 25.00 C ATOM 1510 CD GLN A 176 69.644 34.585 1.780 1.00 25.00 C ATOM 1511 OE1 GLN A 176 70.394 35.244 2.458 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.366 34.502 2.114 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.303 34.812 1.329 1.00 25.00 O ATOM 0 H GLN A 176 72.956 31.032 1.994 1.00 25.00 H new ATOM 0 HA GLN A 176 72.594 33.103 -0.114 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.576 31.667 0.437 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.644 32.291 2.074 1.00 25.00 H new ATOM 0 HG2 GLN A 176 70.677 34.381 -0.072 1.00 25.00 H new ATOM 0 HG3 GLN A 176 69.194 33.452 0.032 1.00 25.00 H new ATOM 0 HE21 GLN A 176 67.726 33.947 1.546 1.00 25.00 H new ATOM 0 HE22 GLN A 176 68.022 34.993 2.939 1.00 25.00 H new TER 1523 GLN A 176