USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 847 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 94 TYR OH : rot 32:sc= 0.0681 USER MOD Set 1.2: A 99 GLN : amide:sc= -1.66 K(o=-1.6,f=-2.5!) USER MOD Set 2.1: A 59 HIS : no HD1:sc= 0.221 X(o=0.27,f=-0.23) USER MOD Set 2.2: A 61 TYR OH : rot -114:sc= 0.0529 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.925 (180deg=0.475) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= 0.0182 X(o=0.018,f=-0.1) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.967 K(o=-0.97,f=-0.029) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0652 X(o=-0.065,f=-0.15) USER MOD Single : A 11 MET CE :methyl 176:sc= 0 (180deg=-0.00847) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 57:sc= -0.0231 USER MOD Single : A 15 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=-0.48) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -70:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.12 USER MOD Single : A 43 SER OG : rot -59:sc= 0.037 USER MOD Single : A 51 CYS SG : rot 180:sc= -0.802 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0684 (180deg=-0.432) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.016) USER MOD Single : A 75 THR OG1 : rot 158:sc= -0.312 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.036) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 103 CYS SG : rot -59:sc= -1.02! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.615 -15.390 -40.024 1.00 0.00 N ATOM 2 CA MET A 1 -7.090 -15.924 -38.745 1.00 0.00 C ATOM 3 C MET A 1 -6.311 -14.821 -38.013 1.00 0.00 C ATOM 4 O MET A 1 -5.724 -13.939 -38.653 1.00 0.00 O ATOM 5 CB MET A 1 -6.203 -17.181 -38.977 1.00 0.00 C ATOM 6 CG MET A 1 -6.951 -18.385 -39.578 1.00 0.00 C ATOM 7 SD MET A 1 -7.655 -18.028 -41.207 1.00 0.00 S ATOM 8 CE MET A 1 -8.515 -19.552 -41.580 1.00 0.00 C ATOM 0 H1 MET A 1 -7.757 -16.172 -40.694 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.522 -14.911 -39.854 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.935 -14.712 -40.422 1.00 0.00 H new ATOM 0 HA MET A 1 -7.929 -16.238 -38.124 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.380 -16.913 -39.639 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.762 -17.480 -38.026 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.266 -19.229 -39.660 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.749 -18.687 -38.900 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.994 -19.470 -42.556 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.803 -20.377 -41.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.272 -19.738 -40.818 1.00 0.00 H new ATOM 20 N GLY A 2 -6.327 -14.881 -36.676 1.00 0.00 N ATOM 21 CA GLY A 2 -5.709 -13.862 -35.827 1.00 0.00 C ATOM 22 C GLY A 2 -6.163 -13.991 -34.378 1.00 0.00 C ATOM 23 O GLY A 2 -5.448 -13.599 -33.456 1.00 0.00 O ATOM 0 H GLY A 2 -6.769 -15.638 -36.155 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.624 -13.953 -35.879 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -5.964 -12.871 -36.202 1.00 0.00 H new ATOM 27 N HIS A 3 -7.363 -14.566 -34.190 1.00 0.00 N ATOM 28 CA HIS A 3 -7.948 -14.814 -32.866 1.00 0.00 C ATOM 29 C HIS A 3 -7.287 -16.043 -32.216 1.00 0.00 C ATOM 30 O HIS A 3 -7.279 -17.130 -32.805 1.00 0.00 O ATOM 31 CB HIS A 3 -9.473 -15.041 -33.000 1.00 0.00 C ATOM 32 CG HIS A 3 -10.172 -15.344 -31.699 1.00 0.00 C ATOM 33 ND1 HIS A 3 -10.496 -16.625 -31.299 1.00 0.00 N ATOM 34 CD2 HIS A 3 -10.601 -14.527 -30.712 1.00 0.00 C ATOM 35 CE1 HIS A 3 -11.088 -16.580 -30.122 1.00 0.00 C ATOM 36 NE2 HIS A 3 -11.163 -15.321 -29.746 1.00 0.00 N ATOM 0 H HIS A 3 -7.957 -14.873 -34.960 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.771 -13.945 -32.232 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.923 -14.152 -33.442 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -9.646 -15.865 -33.693 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.517 -13.451 -30.689 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.449 -17.430 -29.562 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.574 -14.989 -28.874 1.00 0.00 H new ATOM 45 N HIS A 4 -6.726 -15.844 -31.016 1.00 0.00 N ATOM 46 CA HIS A 4 -6.176 -16.921 -30.171 1.00 0.00 C ATOM 47 C HIS A 4 -5.997 -16.396 -28.734 1.00 0.00 C ATOM 48 O HIS A 4 -5.779 -15.193 -28.535 1.00 0.00 O ATOM 49 CB HIS A 4 -4.823 -17.472 -30.723 1.00 0.00 C ATOM 50 CG HIS A 4 -3.640 -16.541 -30.605 1.00 0.00 C ATOM 51 ND1 HIS A 4 -2.646 -16.714 -29.665 1.00 0.00 N ATOM 52 CD2 HIS A 4 -3.276 -15.462 -31.335 1.00 0.00 C ATOM 53 CE1 HIS A 4 -1.725 -15.788 -29.821 1.00 0.00 C ATOM 54 NE2 HIS A 4 -2.079 -15.015 -30.828 1.00 0.00 N ATOM 0 H HIS A 4 -6.639 -14.919 -30.596 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.882 -17.752 -30.179 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.587 -18.398 -30.198 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.958 -17.727 -31.774 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -2.628 -17.448 -28.957 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.823 -15.032 -32.161 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -0.831 -15.680 -29.225 1.00 0.00 H new ATOM 63 N HIS A 5 -6.101 -17.298 -27.743 1.00 0.00 N ATOM 64 CA HIS A 5 -5.859 -16.974 -26.320 1.00 0.00 C ATOM 65 C HIS A 5 -4.359 -17.073 -25.973 1.00 0.00 C ATOM 66 O HIS A 5 -3.520 -17.446 -26.808 1.00 0.00 O ATOM 67 CB HIS A 5 -6.695 -17.897 -25.384 1.00 0.00 C ATOM 68 CG HIS A 5 -8.179 -17.646 -25.403 1.00 0.00 C ATOM 69 ND1 HIS A 5 -9.105 -18.658 -25.301 1.00 0.00 N ATOM 70 CD2 HIS A 5 -8.891 -16.495 -25.452 1.00 0.00 C ATOM 71 CE1 HIS A 5 -10.319 -18.148 -25.302 1.00 0.00 C ATOM 72 NE2 HIS A 5 -10.217 -16.838 -25.389 1.00 0.00 N ATOM 0 H HIS A 5 -6.355 -18.273 -27.902 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.179 -15.944 -26.160 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.514 -18.934 -25.665 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.334 -17.776 -24.363 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -8.490 -15.495 -25.527 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -11.240 -18.708 -25.242 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -10.999 -16.183 -25.407 1.00 0.00 H new ATOM 81 N HIS A 6 -4.054 -16.701 -24.723 1.00 0.00 N ATOM 82 CA HIS A 6 -2.709 -16.773 -24.132 1.00 0.00 C ATOM 83 C HIS A 6 -2.853 -16.837 -22.603 1.00 0.00 C ATOM 84 O HIS A 6 -3.787 -16.246 -22.042 1.00 0.00 O ATOM 85 CB HIS A 6 -1.848 -15.550 -24.560 1.00 0.00 C ATOM 86 CG HIS A 6 -2.369 -14.215 -24.080 1.00 0.00 C ATOM 87 ND1 HIS A 6 -3.423 -13.559 -24.674 1.00 0.00 N ATOM 88 CD2 HIS A 6 -1.966 -13.415 -23.064 1.00 0.00 C ATOM 89 CE1 HIS A 6 -3.649 -12.427 -24.041 1.00 0.00 C ATOM 90 NE2 HIS A 6 -2.779 -12.312 -23.063 1.00 0.00 N ATOM 0 H HIS A 6 -4.752 -16.332 -24.078 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.197 -17.666 -24.490 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -0.834 -15.686 -24.183 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.784 -15.530 -25.648 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -1.153 -13.611 -22.380 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.421 -11.712 -24.285 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -2.719 -11.530 -22.410 1.00 0.00 H new ATOM 99 N HIS A 7 -1.939 -17.554 -21.934 1.00 0.00 N ATOM 100 CA HIS A 7 -1.960 -17.701 -20.466 1.00 0.00 C ATOM 101 C HIS A 7 -0.960 -16.704 -19.843 1.00 0.00 C ATOM 102 O HIS A 7 0.186 -17.056 -19.533 1.00 0.00 O ATOM 103 CB HIS A 7 -1.662 -19.171 -20.034 1.00 0.00 C ATOM 104 CG HIS A 7 -1.979 -19.459 -18.588 1.00 0.00 C ATOM 105 ND1 HIS A 7 -3.235 -19.833 -18.163 1.00 0.00 N ATOM 106 CD2 HIS A 7 -1.214 -19.414 -17.473 1.00 0.00 C ATOM 107 CE1 HIS A 7 -3.229 -19.999 -16.858 1.00 0.00 C ATOM 108 NE2 HIS A 7 -2.014 -19.753 -16.412 1.00 0.00 N ATOM 0 H HIS A 7 -1.169 -18.046 -22.388 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.960 -17.471 -20.097 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.238 -19.848 -20.664 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.609 -19.386 -20.215 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.166 -19.158 -17.427 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.077 -20.288 -16.254 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -1.717 -19.806 -15.438 1.00 0.00 H new ATOM 117 N HIS A 8 -1.399 -15.438 -19.750 1.00 0.00 N ATOM 118 CA HIS A 8 -0.656 -14.352 -19.090 1.00 0.00 C ATOM 119 C HIS A 8 -1.672 -13.320 -18.587 1.00 0.00 C ATOM 120 O HIS A 8 -2.227 -12.553 -19.383 1.00 0.00 O ATOM 121 CB HIS A 8 0.365 -13.687 -20.055 1.00 0.00 C ATOM 122 CG HIS A 8 1.202 -12.603 -19.415 1.00 0.00 C ATOM 123 ND1 HIS A 8 2.108 -12.856 -18.409 1.00 0.00 N ATOM 124 CD2 HIS A 8 1.240 -11.263 -19.618 1.00 0.00 C ATOM 125 CE1 HIS A 8 2.666 -11.724 -18.021 1.00 0.00 C ATOM 126 NE2 HIS A 8 2.156 -10.741 -18.740 1.00 0.00 N ATOM 0 H HIS A 8 -2.293 -15.136 -20.137 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.083 -14.760 -18.258 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.027 -14.456 -20.452 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.175 -13.263 -20.902 1.00 0.00 H new ATOM 0 HD2 HIS A 8 0.657 -10.709 -20.338 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.412 -11.620 -17.247 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.403 -9.755 -18.656 1.00 0.00 H new ATOM 135 N SER A 9 -1.937 -13.343 -17.279 1.00 0.00 N ATOM 136 CA SER A 9 -2.888 -12.431 -16.626 1.00 0.00 C ATOM 137 C SER A 9 -2.338 -10.990 -16.576 1.00 0.00 C ATOM 138 O SER A 9 -1.117 -10.780 -16.568 1.00 0.00 O ATOM 139 CB SER A 9 -3.191 -12.933 -15.197 1.00 0.00 C ATOM 140 OG SER A 9 -3.726 -14.245 -15.219 1.00 0.00 O ATOM 0 H SER A 9 -1.496 -13.999 -16.635 1.00 0.00 H new ATOM 0 HA SER A 9 -3.808 -12.418 -17.211 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.278 -12.920 -14.602 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.896 -12.258 -14.713 1.00 0.00 H new ATOM 0 HG SER A 9 -3.907 -14.540 -14.302 1.00 0.00 H new ATOM 146 N HIS A 10 -3.255 -10.010 -16.567 1.00 0.00 N ATOM 147 CA HIS A 10 -2.920 -8.581 -16.462 1.00 0.00 C ATOM 148 C HIS A 10 -3.684 -7.957 -15.288 1.00 0.00 C ATOM 149 O HIS A 10 -4.865 -8.241 -15.083 1.00 0.00 O ATOM 150 CB HIS A 10 -3.243 -7.831 -17.791 1.00 0.00 C ATOM 151 CG HIS A 10 -2.239 -8.068 -18.886 1.00 0.00 C ATOM 152 ND1 HIS A 10 -2.557 -8.017 -20.221 1.00 0.00 N ATOM 153 CD2 HIS A 10 -0.908 -8.310 -18.834 1.00 0.00 C ATOM 154 CE1 HIS A 10 -1.476 -8.224 -20.939 1.00 0.00 C ATOM 155 NE2 HIS A 10 -0.458 -8.399 -20.124 1.00 0.00 N ATOM 0 H HIS A 10 -4.257 -10.188 -16.633 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.849 -8.485 -16.281 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.228 -8.141 -18.141 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.299 -6.761 -17.588 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.311 -8.414 -17.940 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.431 -8.247 -22.018 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.507 -8.572 -20.406 1.00 0.00 H new ATOM 164 N MET A 11 -2.979 -7.121 -14.519 1.00 0.00 N ATOM 165 CA MET A 11 -3.544 -6.355 -13.402 1.00 0.00 C ATOM 166 C MET A 11 -2.638 -5.155 -13.114 1.00 0.00 C ATOM 167 O MET A 11 -3.145 -4.042 -12.944 1.00 0.00 O ATOM 168 CB MET A 11 -3.755 -7.245 -12.130 1.00 0.00 C ATOM 169 CG MET A 11 -2.497 -7.931 -11.569 1.00 0.00 C ATOM 170 SD MET A 11 -2.845 -8.973 -10.135 1.00 0.00 S ATOM 171 CE MET A 11 -1.215 -9.634 -9.771 1.00 0.00 C ATOM 0 H MET A 11 -1.982 -6.954 -14.657 1.00 0.00 H new ATOM 0 HA MET A 11 -4.534 -5.995 -13.683 1.00 0.00 H new ATOM 0 HB2 MET A 11 -4.187 -6.625 -11.345 1.00 0.00 H new ATOM 0 HB3 MET A 11 -4.489 -8.015 -12.368 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.041 -8.538 -12.351 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.768 -7.170 -11.291 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.262 -10.239 -8.866 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.879 -10.252 -10.604 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.514 -8.813 -9.622 1.00 0.00 H new ATOM 181 N SER A 12 -1.302 -5.420 -13.079 1.00 0.00 N ATOM 182 CA SER A 12 -0.225 -4.423 -12.860 1.00 0.00 C ATOM 183 C SER A 12 -0.604 -3.356 -11.820 1.00 0.00 C ATOM 184 O SER A 12 -1.105 -2.280 -12.166 1.00 0.00 O ATOM 185 CB SER A 12 0.210 -3.787 -14.198 1.00 0.00 C ATOM 186 OG SER A 12 0.698 -4.772 -15.098 1.00 0.00 O ATOM 0 H SER A 12 -0.938 -6.364 -13.207 1.00 0.00 H new ATOM 0 HA SER A 12 0.628 -4.959 -12.443 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.635 -3.266 -14.648 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.984 -3.042 -14.015 1.00 0.00 H new ATOM 0 HG SER A 12 0.965 -4.344 -15.938 1.00 0.00 H new ATOM 192 N TRP A 13 -0.362 -3.668 -10.544 1.00 0.00 N ATOM 193 CA TRP A 13 -0.811 -2.837 -9.399 1.00 0.00 C ATOM 194 C TRP A 13 0.123 -1.633 -9.157 1.00 0.00 C ATOM 195 O TRP A 13 -0.123 -0.849 -8.251 1.00 0.00 O ATOM 196 CB TRP A 13 -0.920 -3.726 -8.101 1.00 0.00 C ATOM 197 CG TRP A 13 0.066 -4.890 -8.052 1.00 0.00 C ATOM 198 CD1 TRP A 13 -0.228 -6.217 -8.230 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.501 -4.829 -7.883 1.00 0.00 C ATOM 200 NE1 TRP A 13 0.915 -6.970 -8.165 1.00 0.00 N ATOM 201 CE2 TRP A 13 1.985 -6.149 -7.948 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.417 -3.792 -7.662 1.00 0.00 C ATOM 203 CZ2 TRP A 13 3.341 -6.458 -7.832 1.00 0.00 C ATOM 204 CZ3 TRP A 13 3.762 -4.098 -7.543 1.00 0.00 C ATOM 205 CH2 TRP A 13 4.212 -5.424 -7.622 1.00 0.00 C ATOM 0 H TRP A 13 0.151 -4.504 -10.264 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.794 -2.435 -9.643 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.761 -3.094 -7.227 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.934 -4.120 -8.029 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.219 -6.613 -8.398 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.960 -7.984 -8.263 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.079 -2.769 -7.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.690 -7.477 -7.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.476 -3.303 -7.387 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.266 -5.633 -7.515 1.00 0.00 H new ATOM 216 N TYR A 14 1.138 -1.448 -10.015 1.00 0.00 N ATOM 217 CA TYR A 14 2.185 -0.438 -9.808 1.00 0.00 C ATOM 218 C TYR A 14 2.010 0.653 -10.862 1.00 0.00 C ATOM 219 O TYR A 14 2.354 0.453 -12.033 1.00 0.00 O ATOM 220 CB TYR A 14 3.607 -1.065 -9.877 1.00 0.00 C ATOM 221 CG TYR A 14 4.734 -0.049 -9.638 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.844 0.619 -8.415 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.670 0.262 -10.628 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.828 1.559 -8.199 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.661 1.199 -10.407 1.00 0.00 C ATOM 226 CZ TYR A 14 6.737 1.843 -9.192 1.00 0.00 C ATOM 227 OH TYR A 14 7.714 2.790 -8.981 1.00 0.00 O ATOM 0 H TYR A 14 1.255 -1.993 -10.869 1.00 0.00 H new ATOM 0 HA TYR A 14 2.086 -0.010 -8.811 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.682 -1.860 -9.135 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.745 -1.527 -10.855 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.144 0.394 -7.624 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.618 -0.239 -11.583 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.886 2.073 -7.251 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.375 1.426 -11.185 1.00 0.00 H new ATOM 0 HH TYR A 14 8.245 2.542 -8.196 1.00 0.00 H new ATOM 237 N HIS A 15 1.436 1.785 -10.450 1.00 0.00 N ATOM 238 CA HIS A 15 1.164 2.928 -11.332 1.00 0.00 C ATOM 239 C HIS A 15 1.968 4.119 -10.798 1.00 0.00 C ATOM 240 O HIS A 15 1.759 4.542 -9.657 1.00 0.00 O ATOM 241 CB HIS A 15 -0.355 3.241 -11.365 1.00 0.00 C ATOM 242 CG HIS A 15 -1.215 2.089 -11.808 1.00 0.00 C ATOM 243 ND1 HIS A 15 -1.567 1.871 -13.122 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.776 1.079 -11.099 1.00 0.00 C ATOM 245 CE1 HIS A 15 -2.305 0.779 -13.204 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.446 0.277 -11.988 1.00 0.00 N ATOM 0 H HIS A 15 1.143 1.938 -9.485 1.00 0.00 H new ATOM 0 HA HIS A 15 1.462 2.706 -12.357 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.671 3.554 -10.370 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.526 4.085 -12.034 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.708 0.933 -10.031 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.723 0.366 -14.110 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.967 -0.567 -11.751 1.00 0.00 H new ATOM 255 N ARG A 16 2.885 4.643 -11.630 1.00 0.00 N ATOM 256 CA ARG A 16 3.962 5.556 -11.191 1.00 0.00 C ATOM 257 C ARG A 16 3.396 6.916 -10.726 1.00 0.00 C ATOM 258 O ARG A 16 3.192 7.109 -9.524 1.00 0.00 O ATOM 259 CB ARG A 16 5.052 5.735 -12.298 1.00 0.00 C ATOM 260 CG ARG A 16 5.913 4.476 -12.602 1.00 0.00 C ATOM 261 CD ARG A 16 5.147 3.361 -13.334 1.00 0.00 C ATOM 262 NE ARG A 16 5.992 2.186 -13.610 1.00 0.00 N ATOM 263 CZ ARG A 16 5.573 1.038 -14.161 1.00 0.00 C ATOM 264 NH1 ARG A 16 4.302 0.859 -14.497 1.00 0.00 N ATOM 265 NH2 ARG A 16 6.440 0.063 -14.372 1.00 0.00 N ATOM 0 H ARG A 16 2.902 4.446 -12.631 1.00 0.00 H new ATOM 0 HA ARG A 16 4.448 5.095 -10.331 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.561 6.048 -13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.718 6.545 -12.000 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.771 4.771 -13.206 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.304 4.080 -11.665 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.291 3.056 -12.732 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.753 3.750 -14.273 1.00 0.00 H new ATOM 0 HE ARG A 16 6.979 2.252 -13.361 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.623 1.603 -14.337 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.004 -0.022 -14.915 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.420 0.187 -14.116 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.130 -0.814 -14.791 1.00 0.00 H new ATOM 279 N ASP A 17 3.094 7.844 -11.667 1.00 0.00 N ATOM 280 CA ASP A 17 2.544 9.181 -11.335 1.00 0.00 C ATOM 281 C ASP A 17 1.016 9.139 -11.146 1.00 0.00 C ATOM 282 O ASP A 17 0.297 10.048 -11.592 1.00 0.00 O ATOM 283 CB ASP A 17 2.920 10.212 -12.440 1.00 0.00 C ATOM 284 CG ASP A 17 4.419 10.537 -12.487 1.00 0.00 C ATOM 285 OD1 ASP A 17 4.933 11.123 -11.515 1.00 0.00 O ATOM 286 OD2 ASP A 17 5.092 10.229 -13.501 1.00 0.00 O ATOM 0 H ASP A 17 3.223 7.689 -12.667 1.00 0.00 H new ATOM 0 HA ASP A 17 2.987 9.492 -10.389 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.610 9.823 -13.410 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.361 11.133 -12.272 1.00 0.00 H new ATOM 291 N LEU A 18 0.530 8.101 -10.449 1.00 0.00 N ATOM 292 CA LEU A 18 -0.891 7.957 -10.126 1.00 0.00 C ATOM 293 C LEU A 18 -1.312 9.046 -9.123 1.00 0.00 C ATOM 294 O LEU A 18 -2.347 9.684 -9.306 1.00 0.00 O ATOM 295 CB LEU A 18 -1.179 6.533 -9.585 1.00 0.00 C ATOM 296 CG LEU A 18 -2.674 6.202 -9.272 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.600 6.453 -10.491 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.810 4.757 -8.757 1.00 0.00 C ATOM 0 H LEU A 18 1.112 7.341 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.484 8.088 -11.031 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.813 5.809 -10.314 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.598 6.389 -8.674 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.001 6.883 -8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.628 6.208 -10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.541 7.501 -10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.283 5.826 -11.324 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.858 4.544 -8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.446 4.064 -9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.223 4.639 -7.846 1.00 0.00 H new ATOM 310 N SER A 19 -0.501 9.208 -8.049 1.00 0.00 N ATOM 311 CA SER A 19 -0.608 10.323 -7.068 1.00 0.00 C ATOM 312 C SER A 19 -1.732 10.045 -6.047 1.00 0.00 C ATOM 313 O SER A 19 -2.690 9.347 -6.359 1.00 0.00 O ATOM 314 CB SER A 19 -0.796 11.709 -7.748 1.00 0.00 C ATOM 315 OG SER A 19 0.181 11.931 -8.751 1.00 0.00 O ATOM 0 H SER A 19 0.257 8.560 -7.834 1.00 0.00 H new ATOM 0 HA SER A 19 0.342 10.369 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.791 11.768 -8.188 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.733 12.496 -6.996 1.00 0.00 H new ATOM 0 HG SER A 19 0.035 12.809 -9.161 1.00 0.00 H new ATOM 321 N ARG A 20 -1.592 10.614 -4.836 1.00 0.00 N ATOM 322 CA ARG A 20 -2.424 10.291 -3.652 1.00 0.00 C ATOM 323 C ARG A 20 -3.933 10.491 -3.916 1.00 0.00 C ATOM 324 O ARG A 20 -4.709 9.524 -3.857 1.00 0.00 O ATOM 325 CB ARG A 20 -1.899 11.136 -2.443 1.00 0.00 C ATOM 326 CG ARG A 20 -2.407 10.750 -1.021 1.00 0.00 C ATOM 327 CD ARG A 20 -3.815 11.280 -0.686 1.00 0.00 C ATOM 328 NE ARG A 20 -3.923 12.746 -0.846 1.00 0.00 N ATOM 329 CZ ARG A 20 -5.065 13.422 -1.035 1.00 0.00 C ATOM 330 NH1 ARG A 20 -6.235 12.802 -1.085 1.00 0.00 N ATOM 331 NH2 ARG A 20 -5.030 14.727 -1.188 1.00 0.00 N ATOM 0 H ARG A 20 -0.886 11.325 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.328 9.231 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.811 11.077 -2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.161 12.179 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.409 9.664 -0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.703 11.130 -0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.546 10.793 -1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.066 11.011 0.340 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.059 13.287 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.280 11.789 -0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.091 13.338 -1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.137 15.220 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.896 15.247 -1.332 1.00 0.00 H new ATOM 345 N ALA A 21 -4.326 11.745 -4.206 1.00 0.00 N ATOM 346 CA ALA A 21 -5.737 12.127 -4.446 1.00 0.00 C ATOM 347 C ALA A 21 -6.391 11.278 -5.551 1.00 0.00 C ATOM 348 O ALA A 21 -7.457 10.693 -5.349 1.00 0.00 O ATOM 349 CB ALA A 21 -5.818 13.621 -4.786 1.00 0.00 C ATOM 0 H ALA A 21 -3.675 12.527 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.296 11.934 -3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.857 13.898 -4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.422 14.205 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.232 13.822 -5.683 1.00 0.00 H new ATOM 355 N ALA A 22 -5.708 11.190 -6.702 1.00 0.00 N ATOM 356 CA ALA A 22 -6.199 10.437 -7.869 1.00 0.00 C ATOM 357 C ALA A 22 -6.283 8.920 -7.592 1.00 0.00 C ATOM 358 O ALA A 22 -7.161 8.248 -8.121 1.00 0.00 O ATOM 359 CB ALA A 22 -5.317 10.714 -9.092 1.00 0.00 C ATOM 0 H ALA A 22 -4.803 11.636 -6.851 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.212 10.782 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.692 10.151 -9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.338 11.779 -9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.293 10.409 -8.878 1.00 0.00 H new ATOM 365 N ALA A 23 -5.376 8.399 -6.746 1.00 0.00 N ATOM 366 CA ALA A 23 -5.311 6.955 -6.437 1.00 0.00 C ATOM 367 C ALA A 23 -6.533 6.493 -5.648 1.00 0.00 C ATOM 368 O ALA A 23 -7.193 5.536 -6.044 1.00 0.00 O ATOM 369 CB ALA A 23 -4.039 6.610 -5.660 1.00 0.00 C ATOM 0 H ALA A 23 -4.674 8.958 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.295 6.430 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.021 5.541 -5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.166 6.877 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.023 7.166 -4.723 1.00 0.00 H new ATOM 375 N GLU A 24 -6.811 7.182 -4.519 1.00 0.00 N ATOM 376 CA GLU A 24 -7.930 6.843 -3.621 1.00 0.00 C ATOM 377 C GLU A 24 -9.293 7.048 -4.310 1.00 0.00 C ATOM 378 O GLU A 24 -10.240 6.311 -4.029 1.00 0.00 O ATOM 379 CB GLU A 24 -7.846 7.658 -2.309 1.00 0.00 C ATOM 380 CG GLU A 24 -7.926 9.183 -2.477 1.00 0.00 C ATOM 381 CD GLU A 24 -7.795 9.935 -1.145 1.00 0.00 C ATOM 382 OE1 GLU A 24 -6.714 9.849 -0.526 1.00 0.00 O ATOM 383 OE2 GLU A 24 -8.748 10.632 -0.715 1.00 0.00 O ATOM 0 H GLU A 24 -6.266 7.986 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.845 5.785 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.653 7.339 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.910 7.413 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.137 9.511 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.876 9.443 -2.944 1.00 0.00 H new ATOM 390 N GLU A 25 -9.377 8.048 -5.210 1.00 0.00 N ATOM 391 CA GLU A 25 -10.597 8.303 -5.999 1.00 0.00 C ATOM 392 C GLU A 25 -10.829 7.176 -7.023 1.00 0.00 C ATOM 393 O GLU A 25 -11.952 6.699 -7.177 1.00 0.00 O ATOM 394 CB GLU A 25 -10.548 9.695 -6.689 1.00 0.00 C ATOM 395 CG GLU A 25 -10.610 10.870 -5.697 1.00 0.00 C ATOM 396 CD GLU A 25 -10.734 12.236 -6.392 1.00 0.00 C ATOM 397 OE1 GLU A 25 -9.696 12.830 -6.758 1.00 0.00 O ATOM 398 OE2 GLU A 25 -11.871 12.715 -6.601 1.00 0.00 O ATOM 0 H GLU A 25 -8.612 8.693 -5.408 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.444 8.314 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.631 9.771 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.380 9.775 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.460 10.730 -5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.713 10.863 -5.078 1.00 0.00 H new ATOM 405 N LEU A 26 -9.747 6.756 -7.700 1.00 0.00 N ATOM 406 CA LEU A 26 -9.760 5.601 -8.628 1.00 0.00 C ATOM 407 C LEU A 26 -9.985 4.267 -7.885 1.00 0.00 C ATOM 408 O LEU A 26 -10.506 3.319 -8.485 1.00 0.00 O ATOM 409 CB LEU A 26 -8.465 5.555 -9.509 1.00 0.00 C ATOM 410 CG LEU A 26 -8.538 6.304 -10.882 1.00 0.00 C ATOM 411 CD1 LEU A 26 -9.558 5.633 -11.819 1.00 0.00 C ATOM 412 CD2 LEU A 26 -8.857 7.801 -10.702 1.00 0.00 C ATOM 0 H LEU A 26 -8.835 7.205 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.608 5.741 -9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.642 5.977 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.218 4.511 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.553 6.236 -11.343 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.591 6.171 -12.766 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.262 4.600 -11.999 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.545 5.652 -11.356 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.899 8.284 -11.678 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.819 7.910 -10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.079 8.269 -10.099 1.00 0.00 H new ATOM 424 N LEU A 27 -9.596 4.185 -6.597 1.00 0.00 N ATOM 425 CA LEU A 27 -9.943 3.033 -5.754 1.00 0.00 C ATOM 426 C LEU A 27 -11.462 3.039 -5.538 1.00 0.00 C ATOM 427 O LEU A 27 -12.147 2.149 -6.013 1.00 0.00 O ATOM 428 CB LEU A 27 -9.179 3.047 -4.393 1.00 0.00 C ATOM 429 CG LEU A 27 -7.651 2.723 -4.450 1.00 0.00 C ATOM 430 CD1 LEU A 27 -7.005 2.787 -3.045 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.392 1.357 -5.125 1.00 0.00 C ATOM 0 H LEU A 27 -9.045 4.901 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.639 2.116 -6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.303 4.032 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.656 2.329 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.177 3.490 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.942 2.556 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.130 3.788 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.487 2.062 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.320 1.161 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.892 0.571 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.781 1.375 -6.143 1.00 0.00 H new ATOM 443 N ALA A 28 -11.969 4.127 -4.931 1.00 0.00 N ATOM 444 CA ALA A 28 -13.397 4.290 -4.558 1.00 0.00 C ATOM 445 C ALA A 28 -14.356 4.116 -5.756 1.00 0.00 C ATOM 446 O ALA A 28 -15.475 3.634 -5.596 1.00 0.00 O ATOM 447 CB ALA A 28 -13.610 5.660 -3.894 1.00 0.00 C ATOM 0 H ALA A 28 -11.395 4.932 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.637 3.496 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.660 5.774 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.994 5.730 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.328 6.450 -4.590 1.00 0.00 H new ATOM 453 N ARG A 29 -13.888 4.509 -6.947 1.00 0.00 N ATOM 454 CA ARG A 29 -14.668 4.435 -8.201 1.00 0.00 C ATOM 455 C ARG A 29 -14.673 2.987 -8.724 1.00 0.00 C ATOM 456 O ARG A 29 -15.736 2.375 -8.875 1.00 0.00 O ATOM 457 CB ARG A 29 -14.059 5.429 -9.259 1.00 0.00 C ATOM 458 CG ARG A 29 -15.055 6.110 -10.250 1.00 0.00 C ATOM 459 CD ARG A 29 -15.662 5.176 -11.328 1.00 0.00 C ATOM 460 NE ARG A 29 -16.743 4.306 -10.813 1.00 0.00 N ATOM 461 CZ ARG A 29 -17.641 3.651 -11.560 1.00 0.00 C ATOM 462 NH1 ARG A 29 -17.679 3.800 -12.877 1.00 0.00 N ATOM 463 NH2 ARG A 29 -18.510 2.852 -10.973 1.00 0.00 N ATOM 0 H ARG A 29 -12.951 4.891 -7.075 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.701 4.729 -8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.528 6.214 -8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.317 4.887 -9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.869 6.551 -9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.539 6.929 -10.751 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -16.053 5.783 -12.145 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.871 4.552 -11.744 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.810 4.196 -9.801 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.016 4.423 -13.339 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.371 3.292 -13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.494 2.738 -9.960 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -19.198 2.348 -11.532 1.00 0.00 H new ATOM 477 N ALA A 30 -13.469 2.449 -8.963 1.00 0.00 N ATOM 478 CA ALA A 30 -13.282 1.179 -9.687 1.00 0.00 C ATOM 479 C ALA A 30 -13.529 -0.051 -8.786 1.00 0.00 C ATOM 480 O ALA A 30 -14.356 -0.902 -9.115 1.00 0.00 O ATOM 481 CB ALA A 30 -11.881 1.138 -10.310 1.00 0.00 C ATOM 0 H ALA A 30 -12.596 2.880 -8.661 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.027 1.133 -10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.748 0.197 -10.844 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.768 1.969 -11.006 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.131 1.218 -9.524 1.00 0.00 H new ATOM 487 N GLY A 31 -12.819 -0.133 -7.650 1.00 0.00 N ATOM 488 CA GLY A 31 -12.904 -1.295 -6.753 1.00 0.00 C ATOM 489 C GLY A 31 -13.814 -1.044 -5.557 1.00 0.00 C ATOM 490 O GLY A 31 -14.825 -1.717 -5.381 1.00 0.00 O ATOM 0 H GLY A 31 -12.178 0.594 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.273 -2.155 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.905 -1.550 -6.398 1.00 0.00 H new ATOM 494 N ARG A 32 -13.452 -0.002 -4.798 1.00 0.00 N ATOM 495 CA ARG A 32 -14.002 0.373 -3.477 1.00 0.00 C ATOM 496 C ARG A 32 -14.001 -0.788 -2.463 1.00 0.00 C ATOM 497 O ARG A 32 -14.793 -1.735 -2.605 1.00 0.00 O ATOM 498 CB ARG A 32 -15.427 0.995 -3.579 1.00 0.00 C ATOM 499 CG ARG A 32 -15.875 1.743 -2.294 1.00 0.00 C ATOM 500 CD ARG A 32 -17.288 2.344 -2.387 1.00 0.00 C ATOM 501 NE ARG A 32 -18.337 1.308 -2.388 1.00 0.00 N ATOM 502 CZ ARG A 32 -19.629 1.503 -2.686 1.00 0.00 C ATOM 503 NH1 ARG A 32 -20.060 2.677 -3.120 1.00 0.00 N ATOM 504 NH2 ARG A 32 -20.483 0.498 -2.574 1.00 0.00 N ATOM 0 H ARG A 32 -12.724 0.644 -5.103 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.321 1.136 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.452 1.688 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.144 0.204 -3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.839 1.053 -1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.164 2.541 -2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.449 3.020 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.368 2.940 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.055 0.360 -2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.405 3.451 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.047 2.808 -3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.156 -0.417 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.468 0.638 -2.799 1.00 0.00 H new ATOM 518 N ASP A 33 -13.049 -0.737 -1.493 1.00 0.00 N ATOM 519 CA ASP A 33 -13.074 -1.528 -0.245 1.00 0.00 C ATOM 520 C ASP A 33 -12.372 -2.880 -0.486 1.00 0.00 C ATOM 521 O ASP A 33 -12.780 -3.649 -1.361 1.00 0.00 O ATOM 522 CB ASP A 33 -14.510 -1.702 0.347 1.00 0.00 C ATOM 523 CG ASP A 33 -14.512 -2.182 1.806 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.336 -3.396 2.062 1.00 0.00 O ATOM 525 OD2 ASP A 33 -14.682 -1.342 2.708 1.00 0.00 O ATOM 0 H ASP A 33 -12.231 -0.132 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.527 -0.973 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.039 -0.751 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.063 -2.416 -0.264 1.00 0.00 H new ATOM 530 N GLY A 34 -11.302 -3.149 0.295 1.00 0.00 N ATOM 531 CA GLY A 34 -10.388 -4.271 0.031 1.00 0.00 C ATOM 532 C GLY A 34 -9.401 -3.995 -1.110 1.00 0.00 C ATOM 533 O GLY A 34 -8.555 -4.846 -1.428 1.00 0.00 O ATOM 0 H GLY A 34 -11.054 -2.598 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.829 -4.496 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.973 -5.158 -0.211 1.00 0.00 H new ATOM 537 N SER A 35 -9.504 -2.796 -1.711 1.00 0.00 N ATOM 538 CA SER A 35 -8.717 -2.398 -2.883 1.00 0.00 C ATOM 539 C SER A 35 -7.337 -1.897 -2.429 1.00 0.00 C ATOM 540 O SER A 35 -7.242 -1.230 -1.399 1.00 0.00 O ATOM 541 CB SER A 35 -9.478 -1.284 -3.645 1.00 0.00 C ATOM 542 OG SER A 35 -10.845 -1.633 -3.844 1.00 0.00 O ATOM 0 H SER A 35 -10.145 -2.070 -1.390 1.00 0.00 H new ATOM 0 HA SER A 35 -8.574 -3.250 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.417 -0.351 -3.085 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.001 -1.109 -4.609 1.00 0.00 H new ATOM 0 HG SER A 35 -10.905 -2.362 -4.496 1.00 0.00 H new ATOM 548 N PHE A 36 -6.277 -2.227 -3.183 1.00 0.00 N ATOM 549 CA PHE A 36 -4.917 -1.729 -2.897 1.00 0.00 C ATOM 550 C PHE A 36 -4.165 -1.488 -4.210 1.00 0.00 C ATOM 551 O PHE A 36 -4.518 -2.049 -5.239 1.00 0.00 O ATOM 552 CB PHE A 36 -4.122 -2.718 -1.984 1.00 0.00 C ATOM 553 CG PHE A 36 -3.545 -3.966 -2.677 1.00 0.00 C ATOM 554 CD1 PHE A 36 -4.325 -5.104 -2.885 1.00 0.00 C ATOM 555 CD2 PHE A 36 -2.211 -3.999 -3.117 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.797 -6.222 -3.513 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.691 -5.120 -3.744 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.485 -6.231 -3.939 1.00 0.00 C ATOM 0 H PHE A 36 -6.333 -2.838 -3.998 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.008 -0.787 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.300 -2.172 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.780 -3.046 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.353 -5.114 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.580 -3.136 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.417 -7.092 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.665 -5.124 -4.080 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.080 -7.107 -4.424 1.00 0.00 H new ATOM 568 N LEU A 37 -3.134 -0.644 -4.162 1.00 0.00 N ATOM 569 CA LEU A 37 -2.167 -0.487 -5.261 1.00 0.00 C ATOM 570 C LEU A 37 -0.877 0.152 -4.735 1.00 0.00 C ATOM 571 O LEU A 37 -0.858 0.760 -3.663 1.00 0.00 O ATOM 572 CB LEU A 37 -2.797 0.292 -6.477 1.00 0.00 C ATOM 573 CG LEU A 37 -3.694 1.538 -6.159 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.895 2.743 -5.624 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.555 1.927 -7.383 1.00 0.00 C ATOM 0 H LEU A 37 -2.941 -0.045 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.904 -1.471 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.983 0.621 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.395 -0.414 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.361 1.240 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.575 3.571 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.386 2.462 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.158 3.050 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.168 2.794 -7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.904 2.170 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.201 1.092 -7.654 1.00 0.00 H new ATOM 587 N VAL A 38 0.197 -0.002 -5.509 1.00 0.00 N ATOM 588 CA VAL A 38 1.513 0.567 -5.217 1.00 0.00 C ATOM 589 C VAL A 38 1.775 1.665 -6.258 1.00 0.00 C ATOM 590 O VAL A 38 1.337 1.564 -7.407 1.00 0.00 O ATOM 591 CB VAL A 38 2.651 -0.523 -5.266 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.024 0.064 -4.836 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.274 -1.748 -4.400 1.00 0.00 C ATOM 0 H VAL A 38 0.176 -0.538 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 38 1.521 0.974 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 38 2.749 -0.853 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.784 -0.716 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.298 0.878 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.954 0.443 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.073 -2.488 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.133 -1.433 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.350 -2.188 -4.775 1.00 0.00 H new ATOM 603 N ARG A 39 2.461 2.723 -5.842 1.00 0.00 N ATOM 604 CA ARG A 39 2.746 3.887 -6.677 1.00 0.00 C ATOM 605 C ARG A 39 4.222 4.235 -6.550 1.00 0.00 C ATOM 606 O ARG A 39 4.918 3.746 -5.649 1.00 0.00 O ATOM 607 CB ARG A 39 1.897 5.121 -6.230 1.00 0.00 C ATOM 608 CG ARG A 39 0.377 4.875 -6.081 1.00 0.00 C ATOM 609 CD ARG A 39 -0.409 6.158 -5.737 1.00 0.00 C ATOM 610 NE ARG A 39 0.138 6.884 -4.571 1.00 0.00 N ATOM 611 CZ ARG A 39 -0.564 7.284 -3.496 1.00 0.00 C ATOM 612 NH1 ARG A 39 -1.824 6.920 -3.325 1.00 0.00 N ATOM 613 NH2 ARG A 39 0.014 8.040 -2.585 1.00 0.00 N ATOM 0 H ARG A 39 2.842 2.799 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 39 2.492 3.644 -7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.283 5.477 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.047 5.922 -6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.011 4.456 -7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.209 4.132 -5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.406 6.820 -6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.448 5.897 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 39 1.135 7.100 -4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.281 6.325 -4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.339 7.235 -2.502 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.989 8.319 -2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.513 8.347 -1.767 1.00 0.00 H new ATOM 627 N ASP A 40 4.682 5.071 -7.471 1.00 0.00 N ATOM 628 CA ASP A 40 5.886 5.869 -7.275 1.00 0.00 C ATOM 629 C ASP A 40 5.399 7.168 -6.621 1.00 0.00 C ATOM 630 O ASP A 40 4.553 7.862 -7.199 1.00 0.00 O ATOM 631 CB ASP A 40 6.606 6.135 -8.627 1.00 0.00 C ATOM 632 CG ASP A 40 7.747 7.163 -8.523 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.767 6.869 -7.871 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.628 8.271 -9.092 1.00 0.00 O ATOM 0 H ASP A 40 4.232 5.215 -8.375 1.00 0.00 H new ATOM 0 HA ASP A 40 6.621 5.361 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.008 5.195 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.876 6.487 -9.355 1.00 0.00 H new ATOM 639 N SER A 41 5.885 7.455 -5.400 1.00 0.00 N ATOM 640 CA SER A 41 5.434 8.618 -4.616 1.00 0.00 C ATOM 641 C SER A 41 5.695 9.913 -5.403 1.00 0.00 C ATOM 642 O SER A 41 6.680 10.006 -6.141 1.00 0.00 O ATOM 643 CB SER A 41 6.131 8.647 -3.242 1.00 0.00 C ATOM 644 OG SER A 41 5.843 7.486 -2.481 1.00 0.00 O ATOM 0 H SER A 41 6.596 6.892 -4.932 1.00 0.00 H new ATOM 0 HA SER A 41 4.361 8.535 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.209 8.731 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.811 9.531 -2.691 1.00 0.00 H new ATOM 0 HG SER A 41 6.303 7.539 -1.617 1.00 0.00 H new ATOM 650 N GLU A 42 4.819 10.894 -5.204 1.00 0.00 N ATOM 651 CA GLU A 42 4.661 12.052 -6.089 1.00 0.00 C ATOM 652 C GLU A 42 5.789 13.073 -5.865 1.00 0.00 C ATOM 653 O GLU A 42 5.613 14.084 -5.183 1.00 0.00 O ATOM 654 CB GLU A 42 3.218 12.667 -5.980 1.00 0.00 C ATOM 655 CG GLU A 42 2.652 12.905 -4.561 1.00 0.00 C ATOM 656 CD GLU A 42 2.227 11.618 -3.814 1.00 0.00 C ATOM 657 OE1 GLU A 42 1.220 10.994 -4.201 1.00 0.00 O ATOM 658 OE2 GLU A 42 2.922 11.217 -2.856 1.00 0.00 O ATOM 0 H GLU A 42 4.184 10.909 -4.406 1.00 0.00 H new ATOM 0 HA GLU A 42 4.757 11.717 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.218 13.621 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.530 12.009 -6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.404 13.423 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.790 13.569 -4.634 1.00 0.00 H new ATOM 665 N SER A 43 6.973 12.731 -6.432 1.00 0.00 N ATOM 666 CA SER A 43 8.221 13.504 -6.336 1.00 0.00 C ATOM 667 C SER A 43 8.550 13.877 -4.871 1.00 0.00 C ATOM 668 O SER A 43 8.725 15.058 -4.536 1.00 0.00 O ATOM 669 CB SER A 43 8.155 14.751 -7.267 1.00 0.00 C ATOM 670 OG SER A 43 9.422 15.379 -7.392 1.00 0.00 O ATOM 0 H SER A 43 7.081 11.881 -6.985 1.00 0.00 H new ATOM 0 HA SER A 43 9.044 12.878 -6.681 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.798 14.451 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.433 15.464 -6.870 1.00 0.00 H new ATOM 0 HG SER A 43 9.740 15.654 -6.507 1.00 0.00 H new ATOM 676 N VAL A 44 8.610 12.855 -3.983 1.00 0.00 N ATOM 677 CA VAL A 44 8.882 13.078 -2.544 1.00 0.00 C ATOM 678 C VAL A 44 10.387 12.874 -2.227 1.00 0.00 C ATOM 679 O VAL A 44 11.032 13.790 -1.707 1.00 0.00 O ATOM 680 CB VAL A 44 7.939 12.229 -1.578 1.00 0.00 C ATOM 681 CG1 VAL A 44 6.459 12.347 -2.024 1.00 0.00 C ATOM 682 CG2 VAL A 44 8.351 10.740 -1.418 1.00 0.00 C ATOM 0 H VAL A 44 8.475 11.876 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 44 8.633 14.119 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 44 8.062 12.668 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.829 11.762 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.151 13.392 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.354 11.970 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.655 10.240 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.329 10.250 -2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.358 10.684 -1.006 1.00 0.00 H new ATOM 692 N ALA A 45 10.946 11.691 -2.572 1.00 0.00 N ATOM 693 CA ALA A 45 12.352 11.325 -2.258 1.00 0.00 C ATOM 694 C ALA A 45 12.781 10.040 -3.011 1.00 0.00 C ATOM 695 O ALA A 45 13.804 9.436 -2.682 1.00 0.00 O ATOM 696 CB ALA A 45 12.516 11.123 -0.738 1.00 0.00 C ATOM 0 H ALA A 45 10.439 10.963 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 45 12.995 12.141 -2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.549 10.855 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.261 12.047 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.854 10.324 -0.404 1.00 0.00 H new ATOM 702 N GLY A 46 12.018 9.670 -4.048 1.00 0.00 N ATOM 703 CA GLY A 46 12.216 8.398 -4.765 1.00 0.00 C ATOM 704 C GLY A 46 11.623 7.224 -3.994 1.00 0.00 C ATOM 705 O GLY A 46 12.168 6.114 -4.003 1.00 0.00 O ATOM 0 H GLY A 46 11.252 10.236 -4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.753 8.459 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.281 8.230 -4.923 1.00 0.00 H new ATOM 709 N ALA A 47 10.501 7.493 -3.304 1.00 0.00 N ATOM 710 CA ALA A 47 9.796 6.507 -2.474 1.00 0.00 C ATOM 711 C ALA A 47 8.660 5.800 -3.246 1.00 0.00 C ATOM 712 O ALA A 47 8.289 6.209 -4.346 1.00 0.00 O ATOM 713 CB ALA A 47 9.253 7.210 -1.220 1.00 0.00 C ATOM 0 H ALA A 47 10.056 8.411 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 47 10.502 5.729 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.727 6.487 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.081 7.641 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.565 8.002 -1.516 1.00 0.00 H new ATOM 719 N PHE A 48 8.146 4.715 -2.646 1.00 0.00 N ATOM 720 CA PHE A 48 6.949 3.986 -3.106 1.00 0.00 C ATOM 721 C PHE A 48 5.767 4.306 -2.171 1.00 0.00 C ATOM 722 O PHE A 48 5.954 4.412 -0.962 1.00 0.00 O ATOM 723 CB PHE A 48 7.196 2.452 -3.097 1.00 0.00 C ATOM 724 CG PHE A 48 8.346 1.987 -3.986 1.00 0.00 C ATOM 725 CD1 PHE A 48 9.664 2.029 -3.530 1.00 0.00 C ATOM 726 CD2 PHE A 48 8.110 1.522 -5.279 1.00 0.00 C ATOM 727 CE1 PHE A 48 10.705 1.624 -4.336 1.00 0.00 C ATOM 728 CE2 PHE A 48 9.154 1.120 -6.088 1.00 0.00 C ATOM 729 CZ PHE A 48 10.450 1.170 -5.615 1.00 0.00 C ATOM 0 H PHE A 48 8.560 4.309 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 48 6.725 4.301 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.395 2.136 -2.073 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.283 1.949 -3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.871 2.384 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.098 1.476 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.720 1.661 -3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.957 0.767 -7.089 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.267 0.853 -6.247 1.00 0.00 H new ATOM 739 N ALA A 49 4.562 4.465 -2.727 1.00 0.00 N ATOM 740 CA ALA A 49 3.346 4.752 -1.940 1.00 0.00 C ATOM 741 C ALA A 49 2.334 3.605 -2.103 1.00 0.00 C ATOM 742 O ALA A 49 1.957 3.276 -3.221 1.00 0.00 O ATOM 743 CB ALA A 49 2.744 6.085 -2.403 1.00 0.00 C ATOM 0 H ALA A 49 4.396 4.400 -3.731 1.00 0.00 H new ATOM 0 HA ALA A 49 3.601 4.832 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.846 6.299 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.471 6.884 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.487 6.020 -3.460 1.00 0.00 H new ATOM 749 N LEU A 50 1.869 3.037 -0.982 1.00 0.00 N ATOM 750 CA LEU A 50 0.939 1.893 -0.970 1.00 0.00 C ATOM 751 C LEU A 50 -0.426 2.405 -0.499 1.00 0.00 C ATOM 752 O LEU A 50 -0.606 2.672 0.679 1.00 0.00 O ATOM 753 CB LEU A 50 1.473 0.763 -0.038 1.00 0.00 C ATOM 754 CG LEU A 50 0.557 -0.499 0.131 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.323 -1.233 -1.207 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.111 -1.455 1.213 1.00 0.00 C ATOM 0 H LEU A 50 2.128 3.359 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 50 0.847 1.464 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.439 0.434 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.650 1.190 0.949 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.416 -0.143 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.317 -2.100 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.159 -0.557 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.279 -1.561 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.454 -2.319 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.109 -1.787 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.161 -0.933 2.169 1.00 0.00 H new ATOM 768 N CYS A 51 -1.374 2.570 -1.425 1.00 0.00 N ATOM 769 CA CYS A 51 -2.699 3.135 -1.120 1.00 0.00 C ATOM 770 C CYS A 51 -3.714 1.995 -1.049 1.00 0.00 C ATOM 771 O CYS A 51 -3.912 1.271 -2.025 1.00 0.00 O ATOM 772 CB CYS A 51 -3.123 4.163 -2.184 1.00 0.00 C ATOM 773 SG CYS A 51 -4.738 4.919 -1.886 1.00 0.00 S ATOM 0 H CYS A 51 -1.249 2.318 -2.405 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.654 3.654 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.370 4.950 -2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.138 3.675 -3.159 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.001 5.769 -2.834 1.00 0.00 H new ATOM 779 N VAL A 52 -4.353 1.850 0.116 1.00 0.00 N ATOM 780 CA VAL A 52 -5.287 0.763 0.417 1.00 0.00 C ATOM 781 C VAL A 52 -6.597 1.374 0.943 1.00 0.00 C ATOM 782 O VAL A 52 -6.586 2.119 1.931 1.00 0.00 O ATOM 783 CB VAL A 52 -4.689 -0.235 1.491 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.658 -1.409 1.771 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.286 -0.760 1.080 1.00 0.00 C ATOM 0 H VAL A 52 -4.232 2.500 0.893 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.470 0.194 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.567 0.330 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.217 -2.076 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.603 -1.019 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.837 -1.961 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.914 -1.441 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.359 -1.288 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.599 0.080 0.977 1.00 0.00 H new ATOM 795 N LEU A 53 -7.714 1.087 0.257 1.00 0.00 N ATOM 796 CA LEU A 53 -9.062 1.487 0.685 1.00 0.00 C ATOM 797 C LEU A 53 -9.753 0.288 1.344 1.00 0.00 C ATOM 798 O LEU A 53 -9.761 -0.813 0.780 1.00 0.00 O ATOM 799 CB LEU A 53 -9.900 1.984 -0.520 1.00 0.00 C ATOM 800 CG LEU A 53 -11.382 2.372 -0.215 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.487 3.431 0.908 1.00 0.00 C ATOM 802 CD2 LEU A 53 -12.101 2.837 -1.493 1.00 0.00 C ATOM 0 H LEU A 53 -7.706 0.565 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.979 2.307 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.400 2.852 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.900 1.205 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.884 1.476 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.535 3.670 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.045 3.036 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.955 4.334 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.131 3.102 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.588 3.707 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.094 2.032 -2.228 1.00 0.00 H new ATOM 814 N TYR A 54 -10.338 0.533 2.521 1.00 0.00 N ATOM 815 CA TYR A 54 -11.011 -0.491 3.327 1.00 0.00 C ATOM 816 C TYR A 54 -11.831 0.188 4.425 1.00 0.00 C ATOM 817 O TYR A 54 -11.405 1.212 4.943 1.00 0.00 O ATOM 818 CB TYR A 54 -9.988 -1.466 3.950 1.00 0.00 C ATOM 819 CG TYR A 54 -10.621 -2.727 4.560 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.150 -3.720 3.737 1.00 0.00 C ATOM 821 CD2 TYR A 54 -10.691 -2.923 5.941 1.00 0.00 C ATOM 822 CE1 TYR A 54 -11.720 -4.857 4.263 1.00 0.00 C ATOM 823 CE2 TYR A 54 -11.260 -4.063 6.472 1.00 0.00 C ATOM 824 CZ TYR A 54 -11.771 -5.026 5.630 1.00 0.00 C ATOM 825 OH TYR A 54 -12.335 -6.171 6.154 1.00 0.00 O ATOM 0 H TYR A 54 -10.358 1.460 2.946 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.672 -1.068 2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.272 -1.765 3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.427 -0.943 4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.112 -3.595 2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.293 -2.170 6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.126 -5.613 3.607 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.304 -4.199 7.542 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.293 -6.138 7.133 1.00 0.00 H new ATOM 835 N GLN A 55 -12.988 -0.411 4.766 1.00 0.00 N ATOM 836 CA GLN A 55 -13.918 0.034 5.846 1.00 0.00 C ATOM 837 C GLN A 55 -14.227 1.549 5.788 1.00 0.00 C ATOM 838 O GLN A 55 -14.328 2.212 6.829 1.00 0.00 O ATOM 839 CB GLN A 55 -13.427 -0.432 7.271 1.00 0.00 C ATOM 840 CG GLN A 55 -12.063 0.128 7.749 1.00 0.00 C ATOM 841 CD GLN A 55 -11.628 -0.294 9.156 1.00 0.00 C ATOM 842 OE1 GLN A 55 -10.941 0.453 9.842 1.00 0.00 O ATOM 843 NE2 GLN A 55 -12.000 -1.487 9.589 1.00 0.00 N ATOM 0 H GLN A 55 -13.321 -1.247 4.287 1.00 0.00 H new ATOM 0 HA GLN A 55 -14.869 -0.466 5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.186 -0.152 8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.369 -1.520 7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.295 -0.185 7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.105 1.217 7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.572 -2.089 8.997 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.715 -1.805 10.515 1.00 0.00 H new ATOM 852 N LYS A 56 -14.434 2.060 4.550 1.00 0.00 N ATOM 853 CA LYS A 56 -14.677 3.497 4.256 1.00 0.00 C ATOM 854 C LYS A 56 -13.536 4.395 4.803 1.00 0.00 C ATOM 855 O LYS A 56 -13.751 5.531 5.249 1.00 0.00 O ATOM 856 CB LYS A 56 -16.087 3.926 4.775 1.00 0.00 C ATOM 857 CG LYS A 56 -16.655 5.190 4.094 1.00 0.00 C ATOM 858 CD LYS A 56 -18.159 5.428 4.374 1.00 0.00 C ATOM 859 CE LYS A 56 -18.732 6.571 3.515 1.00 0.00 C ATOM 860 NZ LYS A 56 -18.549 6.325 2.055 1.00 0.00 N ATOM 0 H LYS A 56 -14.437 1.477 3.713 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.673 3.636 3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.784 3.101 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.029 4.101 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.090 6.059 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.503 5.111 3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.714 4.511 4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.299 5.662 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -19.794 6.689 3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.245 7.507 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.195 6.936 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.567 6.539 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.757 5.328 1.842 1.00 0.00 H new ATOM 874 N HIS A 57 -12.312 3.868 4.703 1.00 0.00 N ATOM 875 CA HIS A 57 -11.106 4.498 5.253 1.00 0.00 C ATOM 876 C HIS A 57 -9.924 4.274 4.289 1.00 0.00 C ATOM 877 O HIS A 57 -9.524 3.128 4.044 1.00 0.00 O ATOM 878 CB HIS A 57 -10.798 3.935 6.672 1.00 0.00 C ATOM 879 CG HIS A 57 -9.781 4.737 7.432 1.00 0.00 C ATOM 880 ND1 HIS A 57 -10.121 5.824 8.206 1.00 0.00 N ATOM 881 CD2 HIS A 57 -8.433 4.625 7.520 1.00 0.00 C ATOM 882 CE1 HIS A 57 -9.036 6.343 8.735 1.00 0.00 C ATOM 883 NE2 HIS A 57 -7.997 5.635 8.336 1.00 0.00 N ATOM 0 H HIS A 57 -12.128 2.982 4.233 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.270 5.571 5.355 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.723 3.899 7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.442 2.909 6.577 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.818 3.880 7.037 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.001 7.204 9.386 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.026 5.811 8.594 1.00 0.00 H new ATOM 892 N VAL A 58 -9.390 5.365 3.722 1.00 0.00 N ATOM 893 CA VAL A 58 -8.178 5.318 2.886 1.00 0.00 C ATOM 894 C VAL A 58 -6.937 5.357 3.797 1.00 0.00 C ATOM 895 O VAL A 58 -6.907 6.099 4.785 1.00 0.00 O ATOM 896 CB VAL A 58 -8.114 6.505 1.854 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.874 6.377 0.926 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.420 6.599 1.030 1.00 0.00 C ATOM 0 H VAL A 58 -9.782 6.301 3.828 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.205 4.392 2.311 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.010 7.431 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.857 7.211 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.966 6.391 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.928 5.439 0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.347 7.428 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.572 5.669 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.262 6.766 1.701 1.00 0.00 H new ATOM 908 N HIS A 59 -5.929 4.548 3.456 1.00 0.00 N ATOM 909 CA HIS A 59 -4.663 4.494 4.194 1.00 0.00 C ATOM 910 C HIS A 59 -3.512 4.387 3.184 1.00 0.00 C ATOM 911 O HIS A 59 -3.491 3.460 2.381 1.00 0.00 O ATOM 912 CB HIS A 59 -4.645 3.314 5.215 1.00 0.00 C ATOM 913 CG HIS A 59 -3.602 3.445 6.305 1.00 0.00 C ATOM 914 ND1 HIS A 59 -3.607 2.674 7.452 1.00 0.00 N ATOM 915 CD2 HIS A 59 -2.536 4.273 6.431 1.00 0.00 C ATOM 916 CE1 HIS A 59 -2.601 3.029 8.226 1.00 0.00 C ATOM 917 NE2 HIS A 59 -1.940 3.992 7.630 1.00 0.00 N ATOM 0 H HIS A 59 -5.968 3.912 2.660 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.545 5.406 4.780 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.629 3.235 5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.472 2.384 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.216 5.017 5.717 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.362 2.600 9.188 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.112 4.458 8.002 1.00 0.00 H new ATOM 926 N THR A 60 -2.547 5.319 3.239 1.00 0.00 N ATOM 927 CA THR A 60 -1.370 5.302 2.360 1.00 0.00 C ATOM 928 C THR A 60 -0.112 5.061 3.215 1.00 0.00 C ATOM 929 O THR A 60 0.106 5.747 4.222 1.00 0.00 O ATOM 930 CB THR A 60 -1.240 6.628 1.536 1.00 0.00 C ATOM 931 OG1 THR A 60 -2.481 6.880 0.857 1.00 0.00 O ATOM 932 CG2 THR A 60 -0.083 6.565 0.505 1.00 0.00 C ATOM 0 H THR A 60 -2.562 6.102 3.892 1.00 0.00 H new ATOM 0 HA THR A 60 -1.484 4.494 1.637 1.00 0.00 H new ATOM 0 HB THR A 60 -1.012 7.437 2.231 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.409 7.709 0.340 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.032 7.506 -0.042 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.860 6.396 1.026 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.263 5.748 -0.194 1.00 0.00 H new ATOM 940 N TYR A 61 0.705 4.087 2.784 1.00 0.00 N ATOM 941 CA TYR A 61 1.913 3.647 3.487 1.00 0.00 C ATOM 942 C TYR A 61 3.081 3.996 2.570 1.00 0.00 C ATOM 943 O TYR A 61 3.322 3.300 1.578 1.00 0.00 O ATOM 944 CB TYR A 61 1.889 2.104 3.765 1.00 0.00 C ATOM 945 CG TYR A 61 0.560 1.552 4.315 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.519 1.300 3.464 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.393 1.267 5.663 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.706 0.799 3.943 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.795 0.759 6.145 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.840 0.526 5.280 1.00 0.00 C ATOM 951 OH TYR A 61 -3.030 0.026 5.753 1.00 0.00 O ATOM 0 H TYR A 61 0.538 3.575 1.918 1.00 0.00 H new ATOM 0 HA TYR A 61 1.993 4.136 4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.124 1.581 2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.682 1.867 4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.418 1.503 2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.209 1.446 6.347 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.530 0.621 3.268 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.905 0.545 7.198 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.449 0.685 6.345 1.00 0.00 H new ATOM 961 N ARG A 62 3.770 5.105 2.865 1.00 0.00 N ATOM 962 CA ARG A 62 4.913 5.540 2.061 1.00 0.00 C ATOM 963 C ARG A 62 6.124 4.686 2.447 1.00 0.00 C ATOM 964 O ARG A 62 6.702 4.869 3.522 1.00 0.00 O ATOM 965 CB ARG A 62 5.238 7.060 2.253 1.00 0.00 C ATOM 966 CG ARG A 62 4.170 8.068 1.738 1.00 0.00 C ATOM 967 CD ARG A 62 2.894 8.098 2.596 1.00 0.00 C ATOM 968 NE ARG A 62 1.966 9.176 2.198 1.00 0.00 N ATOM 969 CZ ARG A 62 0.829 9.487 2.836 1.00 0.00 C ATOM 970 NH1 ARG A 62 0.404 8.779 3.878 1.00 0.00 N ATOM 971 NH2 ARG A 62 0.108 10.503 2.404 1.00 0.00 N ATOM 0 H ARG A 62 3.555 5.715 3.654 1.00 0.00 H new ATOM 0 HA ARG A 62 4.665 5.408 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.396 7.244 3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.180 7.274 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.606 9.067 1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.904 7.811 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.385 7.138 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.168 8.228 3.643 1.00 0.00 H new ATOM 0 HE ARG A 62 2.209 9.726 1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.946 7.980 4.207 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.464 9.034 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.418 11.040 1.594 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.760 10.751 2.879 1.00 0.00 H new ATOM 985 N ILE A 63 6.416 3.677 1.621 1.00 0.00 N ATOM 986 CA ILE A 63 7.698 2.973 1.659 1.00 0.00 C ATOM 987 C ILE A 63 8.800 3.899 1.147 1.00 0.00 C ATOM 988 O ILE A 63 8.748 4.328 0.012 1.00 0.00 O ATOM 989 CB ILE A 63 7.698 1.682 0.727 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.395 0.810 0.881 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.977 0.836 0.973 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.256 1.111 -0.087 1.00 0.00 C ATOM 0 H ILE A 63 5.773 3.328 0.911 1.00 0.00 H new ATOM 0 HA ILE A 63 7.867 2.671 2.693 1.00 0.00 H new ATOM 0 HB ILE A 63 7.702 2.034 -0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.671 -0.238 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.020 0.933 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.962 -0.043 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.859 1.436 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.009 0.520 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.417 0.446 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.937 2.146 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.598 0.956 -1.110 1.00 0.00 H new ATOM 1004 N LEU A 64 9.787 4.209 1.981 1.00 0.00 N ATOM 1005 CA LEU A 64 10.963 4.973 1.554 1.00 0.00 C ATOM 1006 C LEU A 64 12.225 4.137 1.802 1.00 0.00 C ATOM 1007 O LEU A 64 12.355 3.509 2.864 1.00 0.00 O ATOM 1008 CB LEU A 64 11.040 6.425 2.162 1.00 0.00 C ATOM 1009 CG LEU A 64 10.854 6.686 3.699 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.484 6.228 4.211 1.00 0.00 C ATOM 1011 CD2 LEU A 64 12.012 6.135 4.561 1.00 0.00 C ATOM 0 H LEU A 64 9.799 3.942 2.965 1.00 0.00 H new ATOM 0 HA LEU A 64 10.874 5.158 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.014 6.831 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.289 7.024 1.647 1.00 0.00 H new ATOM 0 HG LEU A 64 10.888 7.769 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.408 6.432 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.699 6.768 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.369 5.158 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.818 6.350 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.090 5.057 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.947 6.608 4.260 1.00 0.00 H new ATOM 1023 N PRO A 65 13.128 4.021 0.784 1.00 0.00 N ATOM 1024 CA PRO A 65 14.442 3.397 0.971 1.00 0.00 C ATOM 1025 C PRO A 65 15.373 4.324 1.777 1.00 0.00 C ATOM 1026 O PRO A 65 15.593 4.079 2.965 1.00 0.00 O ATOM 1027 CB PRO A 65 14.943 3.116 -0.489 1.00 0.00 C ATOM 1028 CG PRO A 65 13.764 3.421 -1.380 1.00 0.00 C ATOM 1029 CD PRO A 65 12.930 4.433 -0.626 1.00 0.00 C ATOM 0 HA PRO A 65 14.412 2.476 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.798 3.744 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.264 2.081 -0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.092 3.821 -2.339 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.189 2.519 -1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.271 5.453 -0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.880 4.393 -0.918 1.00 0.00 H new ATOM 1037 N ASP A 66 15.865 5.399 1.114 1.00 0.00 N ATOM 1038 CA ASP A 66 16.838 6.373 1.681 1.00 0.00 C ATOM 1039 C ASP A 66 18.207 5.681 1.794 1.00 0.00 C ATOM 1040 O ASP A 66 18.344 4.657 2.480 1.00 0.00 O ATOM 1041 CB ASP A 66 16.392 6.984 3.043 1.00 0.00 C ATOM 1042 CG ASP A 66 17.395 8.022 3.589 1.00 0.00 C ATOM 1043 OD1 ASP A 66 17.320 9.201 3.185 1.00 0.00 O ATOM 1044 OD2 ASP A 66 18.280 7.660 4.401 1.00 0.00 O ATOM 0 H ASP A 66 15.595 5.620 0.156 1.00 0.00 H new ATOM 0 HA ASP A 66 16.897 7.224 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.417 7.456 2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.271 6.184 3.773 1.00 0.00 H new ATOM 1049 N GLY A 67 19.243 6.287 1.189 1.00 0.00 N ATOM 1050 CA GLY A 67 20.404 5.520 0.732 1.00 0.00 C ATOM 1051 C GLY A 67 20.010 4.295 -0.099 1.00 0.00 C ATOM 1052 O GLY A 67 19.053 4.354 -0.883 1.00 0.00 O ATOM 0 H GLY A 67 19.297 7.290 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 67 21.050 6.166 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.985 5.197 1.596 1.00 0.00 H new ATOM 1056 N GLU A 68 20.767 3.202 0.056 1.00 0.00 N ATOM 1057 CA GLU A 68 20.406 1.881 -0.498 1.00 0.00 C ATOM 1058 C GLU A 68 20.207 0.853 0.647 1.00 0.00 C ATOM 1059 O GLU A 68 19.813 1.246 1.756 1.00 0.00 O ATOM 1060 CB GLU A 68 21.481 1.443 -1.533 1.00 0.00 C ATOM 1061 CG GLU A 68 21.616 2.415 -2.728 1.00 0.00 C ATOM 1062 CD GLU A 68 22.268 1.789 -3.970 1.00 0.00 C ATOM 1063 OE1 GLU A 68 21.553 1.103 -4.730 1.00 0.00 O ATOM 1064 OE2 GLU A 68 23.478 1.981 -4.199 1.00 0.00 O ATOM 0 H GLU A 68 21.649 3.203 0.569 1.00 0.00 H new ATOM 0 HA GLU A 68 19.454 1.940 -1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 68 22.445 1.360 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 68 21.230 0.451 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 68 20.626 2.784 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 68 22.205 3.278 -2.417 1.00 0.00 H new ATOM 1071 N ASP A 69 20.409 -0.456 0.330 1.00 0.00 N ATOM 1072 CA ASP A 69 20.351 -1.603 1.269 1.00 0.00 C ATOM 1073 C ASP A 69 18.909 -2.141 1.376 1.00 0.00 C ATOM 1074 O ASP A 69 18.598 -3.206 0.831 1.00 0.00 O ATOM 1075 CB ASP A 69 20.970 -1.313 2.676 1.00 0.00 C ATOM 1076 CG ASP A 69 21.213 -2.595 3.501 1.00 0.00 C ATOM 1077 OD1 ASP A 69 20.276 -3.100 4.155 1.00 0.00 O ATOM 1078 OD2 ASP A 69 22.346 -3.121 3.475 1.00 0.00 O ATOM 0 H ASP A 69 20.625 -0.748 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 69 20.987 -2.379 0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.914 -0.784 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.305 -0.651 3.230 1.00 0.00 H new ATOM 1083 N PHE A 70 18.036 -1.413 2.089 1.00 0.00 N ATOM 1084 CA PHE A 70 16.617 -1.808 2.265 1.00 0.00 C ATOM 1085 C PHE A 70 15.651 -0.655 1.935 1.00 0.00 C ATOM 1086 O PHE A 70 16.029 0.519 1.931 1.00 0.00 O ATOM 1087 CB PHE A 70 16.373 -2.327 3.714 1.00 0.00 C ATOM 1088 CG PHE A 70 16.632 -1.309 4.838 1.00 0.00 C ATOM 1089 CD1 PHE A 70 17.920 -1.106 5.343 1.00 0.00 C ATOM 1090 CD2 PHE A 70 15.592 -0.565 5.392 1.00 0.00 C ATOM 1091 CE1 PHE A 70 18.154 -0.197 6.358 1.00 0.00 C ATOM 1092 CE2 PHE A 70 15.830 0.345 6.408 1.00 0.00 C ATOM 1093 CZ PHE A 70 17.109 0.528 6.891 1.00 0.00 C ATOM 0 H PHE A 70 18.283 -0.542 2.558 1.00 0.00 H new ATOM 0 HA PHE A 70 16.413 -2.614 1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.341 -2.669 3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 70 17.010 -3.196 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 70 18.746 -1.669 4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 70 14.586 -0.700 5.024 1.00 0.00 H new ATOM 0 HE1 PHE A 70 19.156 -0.055 6.734 1.00 0.00 H new ATOM 0 HE2 PHE A 70 15.011 0.914 6.824 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.292 1.237 7.685 1.00 0.00 H new ATOM 1103 N LEU A 71 14.397 -1.031 1.640 1.00 0.00 N ATOM 1104 CA LEU A 71 13.247 -0.118 1.587 1.00 0.00 C ATOM 1105 C LEU A 71 12.309 -0.432 2.775 1.00 0.00 C ATOM 1106 O LEU A 71 11.912 -1.585 2.984 1.00 0.00 O ATOM 1107 CB LEU A 71 12.555 -0.180 0.174 1.00 0.00 C ATOM 1108 CG LEU A 71 12.235 -1.597 -0.454 1.00 0.00 C ATOM 1109 CD1 LEU A 71 10.927 -2.233 0.078 1.00 0.00 C ATOM 1110 CD2 LEU A 71 12.216 -1.541 -2.007 1.00 0.00 C ATOM 0 H LEU A 71 14.150 -1.998 1.428 1.00 0.00 H new ATOM 0 HA LEU A 71 13.563 0.919 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.617 0.371 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.191 0.357 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 71 13.050 -2.245 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.774 -3.202 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.000 -2.366 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.085 -1.579 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.993 -2.531 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.451 -0.838 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.190 -1.215 -2.371 1.00 0.00 H new ATOM 1122 N ALA A 72 12.037 0.592 3.606 1.00 0.00 N ATOM 1123 CA ALA A 72 11.204 0.454 4.810 1.00 0.00 C ATOM 1124 C ALA A 72 9.828 1.108 4.606 1.00 0.00 C ATOM 1125 O ALA A 72 9.726 2.302 4.296 1.00 0.00 O ATOM 1126 CB ALA A 72 11.923 1.061 6.029 1.00 0.00 C ATOM 0 H ALA A 72 12.390 1.538 3.459 1.00 0.00 H new ATOM 0 HA ALA A 72 11.043 -0.608 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.295 0.952 6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.868 0.543 6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.115 2.119 5.849 1.00 0.00 H new ATOM 1132 N VAL A 73 8.783 0.302 4.805 1.00 0.00 N ATOM 1133 CA VAL A 73 7.379 0.748 4.761 1.00 0.00 C ATOM 1134 C VAL A 73 7.001 1.288 6.141 1.00 0.00 C ATOM 1135 O VAL A 73 7.562 0.847 7.147 1.00 0.00 O ATOM 1136 CB VAL A 73 6.408 -0.412 4.329 1.00 0.00 C ATOM 1137 CG1 VAL A 73 6.509 -1.630 5.262 1.00 0.00 C ATOM 1138 CG2 VAL A 73 4.938 0.077 4.192 1.00 0.00 C ATOM 0 H VAL A 73 8.884 -0.693 5.004 1.00 0.00 H new ATOM 0 HA VAL A 73 7.278 1.532 4.010 1.00 0.00 H new ATOM 0 HB VAL A 73 6.735 -0.735 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.821 -2.405 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.528 -2.017 5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.250 -1.332 6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.304 -0.757 3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.594 0.469 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.885 0.863 3.438 1.00 0.00 H new ATOM 1148 N GLN A 74 6.121 2.297 6.196 1.00 0.00 N ATOM 1149 CA GLN A 74 5.679 2.895 7.463 1.00 0.00 C ATOM 1150 C GLN A 74 4.202 2.516 7.667 1.00 0.00 C ATOM 1151 O GLN A 74 3.309 3.174 7.128 1.00 0.00 O ATOM 1152 CB GLN A 74 5.891 4.434 7.433 1.00 0.00 C ATOM 1153 CG GLN A 74 7.345 4.884 7.165 1.00 0.00 C ATOM 1154 CD GLN A 74 8.365 4.364 8.190 1.00 0.00 C ATOM 1155 OE1 GLN A 74 8.589 4.988 9.229 1.00 0.00 O ATOM 1156 NE2 GLN A 74 9.015 3.244 7.895 1.00 0.00 N ATOM 0 H GLN A 74 5.698 2.719 5.369 1.00 0.00 H new ATOM 0 HA GLN A 74 6.264 2.518 8.302 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.246 4.860 6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.567 4.850 8.387 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.641 4.546 6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.380 5.973 7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.809 2.748 7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.720 2.880 8.536 1.00 0.00 H new ATOM 1165 N THR A 75 3.978 1.390 8.365 1.00 0.00 N ATOM 1166 CA THR A 75 2.630 0.841 8.603 1.00 0.00 C ATOM 1167 C THR A 75 1.875 1.612 9.704 1.00 0.00 C ATOM 1168 O THR A 75 0.789 2.152 9.456 1.00 0.00 O ATOM 1169 CB THR A 75 2.691 -0.678 8.949 1.00 0.00 C ATOM 1170 OG1 THR A 75 3.585 -0.892 10.051 1.00 0.00 O ATOM 1171 CG2 THR A 75 3.135 -1.532 7.742 1.00 0.00 C ATOM 0 H THR A 75 4.725 0.834 8.781 1.00 0.00 H new ATOM 0 HA THR A 75 2.074 0.963 7.673 1.00 0.00 H new ATOM 0 HB THR A 75 1.684 -0.992 9.222 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.364 -1.739 10.492 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.163 -2.583 8.030 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.428 -1.399 6.923 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.128 -1.218 7.419 1.00 0.00 H new ATOM 1179 N SER A 76 2.456 1.651 10.917 1.00 0.00 N ATOM 1180 CA SER A 76 1.841 2.303 12.092 1.00 0.00 C ATOM 1181 C SER A 76 2.898 3.092 12.879 1.00 0.00 C ATOM 1182 O SER A 76 4.093 2.776 12.813 1.00 0.00 O ATOM 1183 CB SER A 76 1.179 1.247 13.000 1.00 0.00 C ATOM 1184 OG SER A 76 0.251 0.463 12.276 1.00 0.00 O ATOM 0 H SER A 76 3.365 1.232 11.112 1.00 0.00 H new ATOM 0 HA SER A 76 1.076 2.997 11.745 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.945 0.603 13.432 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.673 1.742 13.829 1.00 0.00 H new ATOM 0 HG SER A 76 -0.154 -0.200 12.874 1.00 0.00 H new ATOM 1190 N GLN A 77 2.454 4.127 13.596 1.00 0.00 N ATOM 1191 CA GLN A 77 3.332 4.957 14.435 1.00 0.00 C ATOM 1192 C GLN A 77 3.654 4.223 15.749 1.00 0.00 C ATOM 1193 O GLN A 77 2.768 3.610 16.356 1.00 0.00 O ATOM 1194 CB GLN A 77 2.653 6.323 14.732 1.00 0.00 C ATOM 1195 CG GLN A 77 3.541 7.346 15.481 1.00 0.00 C ATOM 1196 CD GLN A 77 2.769 8.583 15.940 1.00 0.00 C ATOM 1197 OE1 GLN A 77 2.621 9.553 15.195 1.00 0.00 O ATOM 1198 NE2 GLN A 77 2.299 8.567 17.178 1.00 0.00 N ATOM 0 H GLN A 77 1.476 4.416 13.614 1.00 0.00 H new ATOM 0 HA GLN A 77 4.263 5.140 13.899 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.332 6.765 13.789 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.754 6.144 15.322 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.991 6.862 16.348 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.358 7.655 14.829 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.440 7.746 17.767 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.796 9.376 17.543 1.00 0.00 H new ATOM 1207 N GLY A 78 4.919 4.303 16.166 1.00 0.00 N ATOM 1208 CA GLY A 78 5.376 3.717 17.422 1.00 0.00 C ATOM 1209 C GLY A 78 5.418 2.195 17.417 1.00 0.00 C ATOM 1210 O GLY A 78 5.195 1.565 18.457 1.00 0.00 O ATOM 0 H GLY A 78 5.654 4.777 15.640 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.373 4.097 17.647 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.719 4.049 18.226 1.00 0.00 H new ATOM 1214 N VAL A 79 5.709 1.594 16.244 1.00 0.00 N ATOM 1215 CA VAL A 79 5.863 0.129 16.095 1.00 0.00 C ATOM 1216 C VAL A 79 7.137 -0.163 15.270 1.00 0.00 C ATOM 1217 O VAL A 79 7.486 0.624 14.373 1.00 0.00 O ATOM 1218 CB VAL A 79 4.613 -0.587 15.422 1.00 0.00 C ATOM 1219 CG1 VAL A 79 3.298 -0.281 16.183 1.00 0.00 C ATOM 1220 CG2 VAL A 79 4.481 -0.247 13.910 1.00 0.00 C ATOM 0 H VAL A 79 5.844 2.109 15.374 1.00 0.00 H new ATOM 0 HA VAL A 79 5.940 -0.283 17.101 1.00 0.00 H new ATOM 0 HB VAL A 79 4.795 -1.659 15.494 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.467 -0.788 15.692 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.382 -0.633 17.211 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.119 0.794 16.182 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.613 -0.760 13.496 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.359 0.829 13.788 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.379 -0.572 13.384 1.00 0.00 H new ATOM 1230 N PRO A 80 7.887 -1.266 15.581 1.00 0.00 N ATOM 1231 CA PRO A 80 8.960 -1.758 14.705 1.00 0.00 C ATOM 1232 C PRO A 80 8.337 -2.429 13.462 1.00 0.00 C ATOM 1233 O PRO A 80 7.794 -3.535 13.560 1.00 0.00 O ATOM 1234 CB PRO A 80 9.753 -2.775 15.601 1.00 0.00 C ATOM 1235 CG PRO A 80 9.182 -2.616 16.987 1.00 0.00 C ATOM 1236 CD PRO A 80 7.770 -2.107 16.797 1.00 0.00 C ATOM 0 HA PRO A 80 9.618 -0.976 14.327 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.630 -3.796 15.240 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.821 -2.559 15.589 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.186 -3.565 17.523 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.774 -1.915 17.576 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.061 -2.923 16.658 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.428 -1.530 17.657 1.00 0.00 H new ATOM 1244 N VAL A 81 8.351 -1.730 12.316 1.00 0.00 N ATOM 1245 CA VAL A 81 7.795 -2.241 11.043 1.00 0.00 C ATOM 1246 C VAL A 81 8.828 -3.211 10.396 1.00 0.00 C ATOM 1247 O VAL A 81 9.958 -3.324 10.892 1.00 0.00 O ATOM 1248 CB VAL A 81 7.439 -1.030 10.075 1.00 0.00 C ATOM 1249 CG1 VAL A 81 6.526 -1.474 8.908 1.00 0.00 C ATOM 1250 CG2 VAL A 81 6.792 0.156 10.848 1.00 0.00 C ATOM 0 H VAL A 81 8.747 -0.793 12.241 1.00 0.00 H new ATOM 0 HA VAL A 81 6.871 -2.789 11.229 1.00 0.00 H new ATOM 0 HB VAL A 81 8.382 -0.685 9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.307 -0.617 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.032 -2.242 8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.595 -1.877 9.307 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.564 0.963 10.152 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.873 -0.180 11.327 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.486 0.517 11.607 1.00 0.00 H new ATOM 1260 N ARG A 82 8.468 -3.883 9.284 1.00 0.00 N ATOM 1261 CA ARG A 82 9.334 -4.884 8.650 1.00 0.00 C ATOM 1262 C ARG A 82 10.115 -4.206 7.519 1.00 0.00 C ATOM 1263 O ARG A 82 9.532 -3.439 6.734 1.00 0.00 O ATOM 1264 CB ARG A 82 8.498 -6.063 8.087 1.00 0.00 C ATOM 1265 CG ARG A 82 9.325 -7.317 7.718 1.00 0.00 C ATOM 1266 CD ARG A 82 9.948 -7.978 8.960 1.00 0.00 C ATOM 1267 NE ARG A 82 8.913 -8.310 9.967 1.00 0.00 N ATOM 1268 CZ ARG A 82 8.915 -7.927 11.255 1.00 0.00 C ATOM 1269 NH1 ARG A 82 9.931 -7.232 11.757 1.00 0.00 N ATOM 1270 NH2 ARG A 82 7.885 -8.232 12.033 1.00 0.00 N ATOM 0 H ARG A 82 7.577 -3.746 8.808 1.00 0.00 H new ATOM 0 HA ARG A 82 10.022 -5.288 9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.746 -6.343 8.825 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.963 -5.722 7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.686 -8.036 7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.115 -7.039 7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.477 -8.885 8.666 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.686 -7.307 9.401 1.00 0.00 H new ATOM 0 HE ARG A 82 8.128 -8.881 9.654 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.722 -6.983 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.920 -6.948 12.736 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.096 -8.755 11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.882 -7.944 13.011 1.00 0.00 H new ATOM 1284 N ARG A 83 11.431 -4.450 7.457 1.00 0.00 N ATOM 1285 CA ARG A 83 12.286 -3.952 6.375 1.00 0.00 C ATOM 1286 C ARG A 83 12.355 -5.004 5.266 1.00 0.00 C ATOM 1287 O ARG A 83 12.453 -6.205 5.545 1.00 0.00 O ATOM 1288 CB ARG A 83 13.698 -3.649 6.931 1.00 0.00 C ATOM 1289 CG ARG A 83 13.694 -2.574 8.034 1.00 0.00 C ATOM 1290 CD ARG A 83 15.045 -2.433 8.750 1.00 0.00 C ATOM 1291 NE ARG A 83 15.024 -1.316 9.713 1.00 0.00 N ATOM 1292 CZ ARG A 83 15.708 -1.257 10.862 1.00 0.00 C ATOM 1293 NH1 ARG A 83 16.422 -2.297 11.292 1.00 0.00 N ATOM 1294 NH2 ARG A 83 15.654 -0.152 11.592 1.00 0.00 N ATOM 0 H ARG A 83 11.931 -4.998 8.156 1.00 0.00 H new ATOM 0 HA ARG A 83 11.872 -3.032 5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.131 -4.567 7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.341 -3.321 6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.421 -1.614 7.595 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.926 -2.819 8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.282 -3.361 9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.833 -2.269 8.016 1.00 0.00 H new ATOM 0 HE ARG A 83 14.435 -0.516 9.482 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.453 -3.156 10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.937 -2.234 12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.096 0.641 11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 83 16.171 -0.095 12.470 1.00 0.00 H new ATOM 1308 N PHE A 84 12.296 -4.545 4.015 1.00 0.00 N ATOM 1309 CA PHE A 84 12.318 -5.416 2.828 1.00 0.00 C ATOM 1310 C PHE A 84 13.458 -4.997 1.913 1.00 0.00 C ATOM 1311 O PHE A 84 13.826 -3.829 1.872 1.00 0.00 O ATOM 1312 CB PHE A 84 10.969 -5.350 2.072 1.00 0.00 C ATOM 1313 CG PHE A 84 9.775 -5.746 2.929 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.449 -7.083 3.117 1.00 0.00 C ATOM 1315 CD2 PHE A 84 8.996 -4.781 3.562 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.381 -7.448 3.908 1.00 0.00 C ATOM 1317 CE2 PHE A 84 7.933 -5.148 4.353 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.623 -6.481 4.521 1.00 0.00 C ATOM 0 H PHE A 84 12.231 -3.552 3.790 1.00 0.00 H new ATOM 0 HA PHE A 84 12.473 -6.446 3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.819 -4.337 1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 84 11.016 -6.006 1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.041 -7.848 2.636 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.229 -3.735 3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.141 -8.492 4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.340 -4.391 4.844 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.782 -6.765 5.136 1.00 0.00 H new ATOM 1328 N GLN A 85 14.013 -5.963 1.186 1.00 0.00 N ATOM 1329 CA GLN A 85 15.063 -5.710 0.187 1.00 0.00 C ATOM 1330 C GLN A 85 14.424 -5.591 -1.206 1.00 0.00 C ATOM 1331 O GLN A 85 15.047 -5.083 -2.141 1.00 0.00 O ATOM 1332 CB GLN A 85 16.117 -6.845 0.221 1.00 0.00 C ATOM 1333 CG GLN A 85 16.841 -6.987 1.571 1.00 0.00 C ATOM 1334 CD GLN A 85 17.793 -8.182 1.619 1.00 0.00 C ATOM 1335 OE1 GLN A 85 17.409 -9.284 2.008 1.00 0.00 O ATOM 1336 NE2 GLN A 85 19.040 -7.976 1.221 1.00 0.00 N ATOM 0 H GLN A 85 13.752 -6.946 1.268 1.00 0.00 H new ATOM 0 HA GLN A 85 15.571 -4.774 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.627 -7.789 -0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.857 -6.663 -0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.402 -6.075 1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.101 -7.088 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.328 -7.050 0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.712 -8.743 1.232 1.00 0.00 H new ATOM 1345 N THR A 86 13.165 -6.055 -1.325 1.00 0.00 N ATOM 1346 CA THR A 86 12.410 -6.056 -2.578 1.00 0.00 C ATOM 1347 C THR A 86 10.920 -5.773 -2.271 1.00 0.00 C ATOM 1348 O THR A 86 10.383 -6.263 -1.269 1.00 0.00 O ATOM 1349 CB THR A 86 12.573 -7.432 -3.328 1.00 0.00 C ATOM 1350 OG1 THR A 86 13.967 -7.765 -3.451 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.937 -7.425 -4.731 1.00 0.00 C ATOM 0 H THR A 86 12.643 -6.443 -0.539 1.00 0.00 H new ATOM 0 HA THR A 86 12.798 -5.276 -3.233 1.00 0.00 H new ATOM 0 HB THR A 86 12.051 -8.177 -2.728 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.059 -8.622 -3.917 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.080 -8.398 -5.200 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.871 -7.216 -4.646 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.410 -6.655 -5.341 1.00 0.00 H new ATOM 1359 N LEU A 87 10.276 -4.965 -3.135 1.00 0.00 N ATOM 1360 CA LEU A 87 8.844 -4.594 -3.028 1.00 0.00 C ATOM 1361 C LEU A 87 7.954 -5.857 -3.181 1.00 0.00 C ATOM 1362 O LEU A 87 6.874 -5.941 -2.589 1.00 0.00 O ATOM 1363 CB LEU A 87 8.531 -3.491 -4.104 1.00 0.00 C ATOM 1364 CG LEU A 87 7.209 -2.644 -3.973 1.00 0.00 C ATOM 1365 CD1 LEU A 87 5.951 -3.421 -4.410 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.055 -2.060 -2.550 1.00 0.00 C ATOM 0 H LEU A 87 10.739 -4.543 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 87 8.622 -4.178 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.368 -2.793 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.513 -3.979 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 87 7.305 -1.810 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.073 -2.785 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.051 -3.719 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.838 -4.309 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.133 -1.481 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.019 -2.873 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.904 -1.414 -2.328 1.00 0.00 H new ATOM 1378 N GLY A 88 8.428 -6.832 -3.987 1.00 0.00 N ATOM 1379 CA GLY A 88 7.778 -8.150 -4.106 1.00 0.00 C ATOM 1380 C GLY A 88 7.586 -8.876 -2.760 1.00 0.00 C ATOM 1381 O GLY A 88 6.513 -9.449 -2.507 1.00 0.00 O ATOM 0 H GLY A 88 9.262 -6.728 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.805 -8.023 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.375 -8.780 -4.766 1.00 0.00 H new ATOM 1385 N GLU A 89 8.625 -8.816 -1.893 1.00 0.00 N ATOM 1386 CA GLU A 89 8.585 -9.389 -0.520 1.00 0.00 C ATOM 1387 C GLU A 89 7.505 -8.696 0.330 1.00 0.00 C ATOM 1388 O GLU A 89 6.846 -9.331 1.162 1.00 0.00 O ATOM 1389 CB GLU A 89 9.954 -9.229 0.196 1.00 0.00 C ATOM 1390 CG GLU A 89 11.141 -9.919 -0.486 1.00 0.00 C ATOM 1391 CD GLU A 89 12.442 -9.744 0.322 1.00 0.00 C ATOM 1392 OE1 GLU A 89 13.157 -8.736 0.119 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.731 -10.593 1.187 1.00 0.00 O ATOM 0 H GLU A 89 9.514 -8.371 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 89 8.352 -10.449 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.176 -8.165 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.862 -9.620 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.926 -10.981 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.276 -9.508 -1.486 1.00 0.00 H new ATOM 1400 N LEU A 90 7.370 -7.382 0.112 1.00 0.00 N ATOM 1401 CA LEU A 90 6.452 -6.510 0.857 1.00 0.00 C ATOM 1402 C LEU A 90 4.989 -6.944 0.664 1.00 0.00 C ATOM 1403 O LEU A 90 4.290 -7.205 1.643 1.00 0.00 O ATOM 1404 CB LEU A 90 6.696 -5.037 0.433 1.00 0.00 C ATOM 1405 CG LEU A 90 5.935 -3.918 1.232 1.00 0.00 C ATOM 1406 CD1 LEU A 90 6.804 -2.653 1.333 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.544 -3.579 0.620 1.00 0.00 C ATOM 0 H LEU A 90 7.905 -6.885 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 90 6.651 -6.596 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.765 -4.837 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.428 -4.941 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 90 5.749 -4.310 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.266 -1.885 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.734 -2.891 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.029 -2.285 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.065 -2.800 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.673 -3.227 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.919 -4.472 0.621 1.00 0.00 H new ATOM 1419 N ILE A 91 4.552 -7.036 -0.604 1.00 0.00 N ATOM 1420 CA ILE A 91 3.176 -7.452 -0.949 1.00 0.00 C ATOM 1421 C ILE A 91 2.938 -8.922 -0.561 1.00 0.00 C ATOM 1422 O ILE A 91 1.844 -9.282 -0.109 1.00 0.00 O ATOM 1423 CB ILE A 91 2.877 -7.243 -2.478 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.044 -5.736 -2.852 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.466 -7.765 -2.878 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.709 -5.405 -4.294 1.00 0.00 C ATOM 0 H ILE A 91 5.135 -6.827 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 91 2.493 -6.821 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 91 3.600 -7.832 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.407 -5.140 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.073 -5.437 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.305 -7.599 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.398 -8.831 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.705 -7.231 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.853 -4.338 -4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.362 -5.970 -4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.671 -5.668 -4.496 1.00 0.00 H new ATOM 1438 N GLY A 92 3.977 -9.751 -0.749 1.00 0.00 N ATOM 1439 CA GLY A 92 3.947 -11.162 -0.363 1.00 0.00 C ATOM 1440 C GLY A 92 3.587 -11.367 1.108 1.00 0.00 C ATOM 1441 O GLY A 92 2.653 -12.112 1.432 1.00 0.00 O ATOM 0 H GLY A 92 4.858 -9.458 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.224 -11.689 -0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.922 -11.608 -0.559 1.00 0.00 H new ATOM 1445 N LEU A 93 4.319 -10.672 1.994 1.00 0.00 N ATOM 1446 CA LEU A 93 4.119 -10.764 3.449 1.00 0.00 C ATOM 1447 C LEU A 93 2.814 -10.063 3.884 1.00 0.00 C ATOM 1448 O LEU A 93 2.072 -10.598 4.702 1.00 0.00 O ATOM 1449 CB LEU A 93 5.333 -10.160 4.213 1.00 0.00 C ATOM 1450 CG LEU A 93 5.284 -10.279 5.774 1.00 0.00 C ATOM 1451 CD1 LEU A 93 5.250 -11.754 6.237 1.00 0.00 C ATOM 1452 CD2 LEU A 93 6.446 -9.503 6.436 1.00 0.00 C ATOM 0 H LEU A 93 5.065 -10.032 1.722 1.00 0.00 H new ATOM 0 HA LEU A 93 4.036 -11.821 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.241 -10.648 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.415 -9.105 3.950 1.00 0.00 H new ATOM 0 HG LEU A 93 4.353 -9.819 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.216 -11.793 7.326 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.365 -12.243 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.144 -12.267 5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.382 -9.606 7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.397 -9.906 6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.379 -8.449 6.168 1.00 0.00 H new ATOM 1464 N TYR A 94 2.545 -8.860 3.330 1.00 0.00 N ATOM 1465 CA TYR A 94 1.385 -8.021 3.735 1.00 0.00 C ATOM 1466 C TYR A 94 0.068 -8.423 3.049 1.00 0.00 C ATOM 1467 O TYR A 94 -0.982 -7.820 3.315 1.00 0.00 O ATOM 1468 CB TYR A 94 1.705 -6.516 3.560 1.00 0.00 C ATOM 1469 CG TYR A 94 2.724 -5.997 4.581 1.00 0.00 C ATOM 1470 CD1 TYR A 94 2.615 -6.337 5.936 1.00 0.00 C ATOM 1471 CD2 TYR A 94 3.769 -5.160 4.212 1.00 0.00 C ATOM 1472 CE1 TYR A 94 3.512 -5.862 6.867 1.00 0.00 C ATOM 1473 CE2 TYR A 94 4.666 -4.692 5.145 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.538 -5.038 6.470 1.00 0.00 C ATOM 1475 OH TYR A 94 5.438 -4.555 7.401 1.00 0.00 O ATOM 0 H TYR A 94 3.117 -8.442 2.596 1.00 0.00 H new ATOM 0 HA TYR A 94 1.219 -8.208 4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.089 -6.346 2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.783 -5.941 3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.812 -6.984 6.257 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.879 -4.872 3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 94 3.409 -6.136 7.907 1.00 0.00 H new ATOM 0 HE2 TYR A 94 5.476 -4.049 4.835 1.00 0.00 H new ATOM 0 HH TYR A 94 5.556 -5.216 8.115 1.00 0.00 H new ATOM 1485 N ALA A 95 0.115 -9.462 2.197 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.082 -10.243 1.836 1.00 0.00 C ATOM 1487 C ALA A 95 -1.702 -10.869 3.112 1.00 0.00 C ATOM 1488 O ALA A 95 -2.901 -11.144 3.176 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.705 -11.319 0.807 1.00 0.00 C ATOM 0 H ALA A 95 0.971 -9.781 1.744 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.829 -9.590 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.591 -11.895 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.301 -10.843 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.045 -11.984 1.234 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.833 -11.060 4.121 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.200 -11.460 5.481 1.00 0.00 C ATOM 1497 C GLN A 96 -1.303 -10.174 6.334 1.00 0.00 C ATOM 1498 O GLN A 96 -0.373 -9.359 6.318 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.123 -12.412 6.065 1.00 0.00 C ATOM 1500 CG GLN A 96 0.243 -13.582 5.134 1.00 0.00 C ATOM 1501 CD GLN A 96 1.391 -14.419 5.672 1.00 0.00 C ATOM 1502 OE1 GLN A 96 1.182 -15.413 6.363 1.00 0.00 O ATOM 1503 NE2 GLN A 96 2.614 -13.988 5.408 1.00 0.00 N ATOM 0 H GLN A 96 0.172 -10.935 4.003 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.151 -11.992 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.777 -11.837 6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.481 -12.813 7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.631 -14.218 4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.512 -13.191 4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.749 -13.158 4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.422 -14.485 5.782 1.00 0.00 H new ATOM 1512 N PRO A 97 -2.423 -9.952 7.076 1.00 0.00 N ATOM 1513 CA PRO A 97 -2.625 -8.716 7.885 1.00 0.00 C ATOM 1514 C PRO A 97 -1.883 -8.767 9.253 1.00 0.00 C ATOM 1515 O PRO A 97 -0.869 -9.468 9.388 1.00 0.00 O ATOM 1516 CB PRO A 97 -4.166 -8.713 8.052 1.00 0.00 C ATOM 1517 CG PRO A 97 -4.524 -10.166 8.145 1.00 0.00 C ATOM 1518 CD PRO A 97 -3.588 -10.879 7.192 1.00 0.00 C ATOM 0 HA PRO A 97 -2.225 -7.815 7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.469 -8.169 8.947 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.658 -8.234 7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.402 -10.535 9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.565 -10.331 7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.288 -11.852 7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.059 -11.053 6.224 1.00 0.00 H new ATOM 1526 N ASN A 98 -2.393 -7.982 10.234 1.00 0.00 N ATOM 1527 CA ASN A 98 -1.950 -8.015 11.653 1.00 0.00 C ATOM 1528 C ASN A 98 -0.500 -7.497 11.816 1.00 0.00 C ATOM 1529 O ASN A 98 0.325 -8.122 12.497 1.00 0.00 O ATOM 1530 CB ASN A 98 -2.110 -9.452 12.262 1.00 0.00 C ATOM 1531 CG ASN A 98 -3.525 -10.032 12.161 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -4.516 -9.307 12.156 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -3.623 -11.349 12.084 1.00 0.00 N ATOM 0 H ASN A 98 -3.132 -7.300 10.062 1.00 0.00 H new ATOM 0 HA ASN A 98 -2.599 -7.339 12.210 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.418 -10.126 11.757 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.817 -9.423 13.312 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -4.541 -11.789 12.018 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -2.781 -11.924 12.090 1.00 0.00 H new ATOM 1540 N GLN A 99 -0.211 -6.328 11.206 1.00 0.00 N ATOM 1541 CA GLN A 99 1.140 -5.713 11.262 1.00 0.00 C ATOM 1542 C GLN A 99 1.099 -4.218 10.853 1.00 0.00 C ATOM 1543 O GLN A 99 2.143 -3.586 10.671 1.00 0.00 O ATOM 1544 CB GLN A 99 2.149 -6.528 10.380 1.00 0.00 C ATOM 1545 CG GLN A 99 3.641 -6.340 10.755 1.00 0.00 C ATOM 1546 CD GLN A 99 4.623 -7.203 9.944 1.00 0.00 C ATOM 1547 OE1 GLN A 99 5.762 -6.803 9.709 1.00 0.00 O ATOM 1548 NE2 GLN A 99 4.206 -8.393 9.520 1.00 0.00 N ATOM 0 H GLN A 99 -0.891 -5.789 10.669 1.00 0.00 H new ATOM 0 HA GLN A 99 1.490 -5.750 12.294 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.901 -7.587 10.454 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.012 -6.241 9.337 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.905 -5.291 10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.767 -6.568 11.813 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.257 -8.704 9.727 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.835 -8.994 8.988 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.121 -3.641 10.732 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.295 -2.208 10.435 1.00 0.00 C ATOM 1559 C GLY A 100 -1.208 -1.951 9.241 1.00 0.00 C ATOM 1560 O GLY A 100 -1.602 -0.808 8.985 1.00 0.00 O ATOM 0 H GLY A 100 -0.998 -4.152 10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.705 -1.708 11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.681 -1.762 10.241 1.00 0.00 H new ATOM 1564 N LEU A 101 -1.508 -3.019 8.485 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.384 -2.970 7.298 1.00 0.00 C ATOM 1566 C LEU A 101 -3.879 -2.980 7.698 1.00 0.00 C ATOM 1567 O LEU A 101 -4.345 -3.931 8.331 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.041 -4.167 6.344 1.00 0.00 C ATOM 1569 CG LEU A 101 -0.818 -3.981 5.383 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.132 -2.981 4.255 1.00 0.00 C ATOM 1571 CD2 LEU A 101 0.459 -3.578 6.148 1.00 0.00 C ATOM 0 H LEU A 101 -1.146 -3.952 8.681 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.205 -2.034 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.858 -5.049 6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.921 -4.379 5.736 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.626 -4.950 4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.261 -2.877 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.977 -3.345 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.381 -2.012 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.283 -3.459 5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.289 -2.636 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.709 -4.353 6.872 1.00 0.00 H new ATOM 1583 N VAL A 102 -4.597 -1.892 7.337 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.061 -1.771 7.482 1.00 0.00 C ATOM 1585 C VAL A 102 -6.792 -2.931 6.769 1.00 0.00 C ATOM 1586 O VAL A 102 -7.840 -3.396 7.221 1.00 0.00 O ATOM 1587 CB VAL A 102 -6.564 -0.368 6.942 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.320 -0.193 5.417 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -8.046 -0.112 7.318 1.00 0.00 C ATOM 0 H VAL A 102 -4.166 -1.062 6.931 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.299 -1.833 8.544 1.00 0.00 H new ATOM 0 HB VAL A 102 -5.961 0.392 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.683 0.785 5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.253 -0.269 5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.853 -0.972 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.357 0.859 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.671 -0.892 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.153 -0.122 8.403 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.191 -3.405 5.668 1.00 0.00 N ATOM 1600 CA CYS A 103 -6.698 -4.526 4.878 1.00 0.00 C ATOM 1601 C CYS A 103 -5.541 -5.433 4.464 1.00 0.00 C ATOM 1602 O CYS A 103 -4.434 -4.948 4.194 1.00 0.00 O ATOM 1603 CB CYS A 103 -7.413 -3.999 3.621 1.00 0.00 C ATOM 1604 SG CYS A 103 -8.117 -5.268 2.545 1.00 0.00 S ATOM 0 H CYS A 103 -5.325 -3.011 5.299 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.404 -5.095 5.482 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.212 -3.326 3.933 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.705 -3.407 3.042 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.174 -6.065 2.139 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.811 -6.745 4.408 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.896 -7.726 3.813 1.00 0.00 C ATOM 1612 C ALA A 104 -4.862 -7.499 2.292 1.00 0.00 C ATOM 1613 O ALA A 104 -5.903 -7.191 1.687 1.00 0.00 O ATOM 1614 CB ALA A 104 -5.359 -9.150 4.163 1.00 0.00 C ATOM 0 H ALA A 104 -6.670 -7.155 4.774 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.888 -7.603 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.676 -9.874 3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.366 -9.275 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.364 -9.312 3.773 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.679 -7.627 1.677 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.513 -7.313 0.250 1.00 0.00 C ATOM 1622 C LEU A 105 -4.114 -8.466 -0.580 1.00 0.00 C ATOM 1623 O LEU A 105 -3.470 -9.484 -0.831 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.023 -7.033 -0.106 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.330 -5.874 0.699 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.103 -5.604 0.189 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.177 -4.578 0.715 1.00 0.00 C ATOM 0 H LEU A 105 -2.827 -7.944 2.141 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.048 -6.394 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.454 -7.949 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.962 -6.798 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.255 -6.215 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.550 -4.797 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.705 -6.506 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.067 -5.318 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.654 -3.809 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.332 -4.232 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.142 -4.780 1.180 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.404 -8.298 -0.940 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.220 -9.359 -1.579 1.00 0.00 C ATOM 1641 C LEU A 106 -6.333 -9.139 -3.097 1.00 0.00 C ATOM 1642 O LEU A 106 -5.923 -9.990 -3.893 1.00 0.00 O ATOM 1643 CB LEU A 106 -7.639 -9.428 -0.930 1.00 0.00 C ATOM 1644 CG LEU A 106 -8.567 -10.585 -1.443 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -7.949 -11.974 -1.175 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -9.984 -10.480 -0.840 1.00 0.00 C ATOM 0 H LEU A 106 -5.911 -7.425 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.715 -10.311 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.520 -9.534 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.144 -8.478 -1.104 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.656 -10.470 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.621 -12.749 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.990 -12.051 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.799 -12.105 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.601 -11.296 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.923 -10.542 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.431 -9.527 -1.124 1.00 0.00 H new ATOM 1658 N LEU A 107 -6.864 -7.965 -3.483 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.233 -7.652 -4.887 1.00 0.00 C ATOM 1660 C LEU A 107 -6.899 -6.184 -5.185 1.00 0.00 C ATOM 1661 O LEU A 107 -7.351 -5.302 -4.445 1.00 0.00 O ATOM 1662 CB LEU A 107 -8.741 -7.949 -5.163 1.00 0.00 C ATOM 1663 CG LEU A 107 -9.128 -9.461 -5.280 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.648 -9.639 -5.469 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -8.332 -10.156 -6.415 1.00 0.00 C ATOM 0 H LEU A 107 -7.052 -7.201 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.655 -8.295 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.332 -7.503 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.027 -7.448 -6.088 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.857 -9.945 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -10.883 -10.700 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.173 -9.213 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.964 -9.130 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.622 -11.205 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.550 -9.667 -7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.264 -10.085 -6.207 1.00 0.00 H new ATOM 1677 N PRO A 108 -6.062 -5.898 -6.250 1.00 0.00 N ATOM 1678 CA PRO A 108 -5.631 -4.525 -6.576 1.00 0.00 C ATOM 1679 C PRO A 108 -6.819 -3.584 -6.922 1.00 0.00 C ATOM 1680 O PRO A 108 -7.240 -2.761 -6.095 1.00 0.00 O ATOM 1681 CB PRO A 108 -4.625 -4.714 -7.760 1.00 0.00 C ATOM 1682 CG PRO A 108 -4.943 -6.063 -8.336 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.451 -6.898 -7.179 1.00 0.00 C ATOM 0 HA PRO A 108 -5.167 -4.025 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.744 -3.929 -8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.593 -4.668 -7.411 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.695 -5.985 -9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -4.058 -6.515 -8.785 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.183 -7.634 -7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.642 -7.447 -6.698 1.00 0.00 H new ATOM 1691 N VAL A 109 -7.384 -3.757 -8.127 1.00 0.00 N ATOM 1692 CA VAL A 109 -8.486 -2.929 -8.654 1.00 0.00 C ATOM 1693 C VAL A 109 -9.548 -3.863 -9.291 1.00 0.00 C ATOM 1694 O VAL A 109 -9.208 -4.592 -10.241 1.00 0.00 O ATOM 1695 CB VAL A 109 -7.959 -1.843 -9.683 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -9.125 -1.131 -10.408 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -7.041 -0.801 -8.975 1.00 0.00 C ATOM 1698 OXT VAL A 109 -10.711 -3.875 -8.823 1.00 0.00 O ATOM 0 H VAL A 109 -7.085 -4.486 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.945 -2.372 -7.837 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.370 -2.369 -10.434 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.725 -0.394 -11.105 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -9.715 -1.865 -10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -9.758 -0.631 -9.675 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.694 -0.068 -9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.603 -0.295 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.183 -1.311 -8.536 1.00 0.00 H new TER 1708 VAL A 109