USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 911 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 33 THR OG1 : rot 158:sc= 0.588 USER MOD Set 1.2: A 73 TYR OH : rot -169:sc= 1.55 USER MOD Set 2.1: A 11 ASN : amide:sc= 1.4 K(o=7.2,f=-4.2) USER MOD Set 2.2: A 16 GLN : amide:sc= 1.71 K(o=7.2,f=-2.6) USER MOD Set 2.3: A 23 LYS NZ :NH3+ 179:sc= 1.02 (180deg=0) USER MOD Set 2.4: A 34 SER OG : rot -76:sc= 1.29 USER MOD Set 2.5: A 60 GLN : amide:sc= 1.78 K(o=7.2,f=1.1) USER MOD Set 3.1: A 12 SER OG : rot 79:sc= 0.372 USER MOD Set 3.2: A 13 CYS SG : rot -120:sc= -0.446 USER MOD Set 3.3: A 43 HIS : no HD1:sc= -1.41 K(o=-1.5,f=-2.1) USER MOD Set 4.1: A 5 MET CE :methyl -165:sc= -0.651 (180deg=-0.883) USER MOD Set 4.2: A 35 CYS SG : rot 25:sc= 0.207 USER MOD Single : A 2 LYS NZ :NH3+ -156:sc= 2.26 (180deg=1.31) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.18 (180deg=0.994) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.394 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 179:sc= -0.399 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.122 (180deg=-0.122) USER MOD Single : A 24 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0631 USER MOD Single : A 40 SER OG : rot 11:sc= 0.661 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 141:sc= -0.709 (180deg=-1.17) USER MOD Single : A 50 MET CE :methyl -128:sc= -4.08 (180deg=-13.4!) USER MOD Single : A 58 SER OG : rot 98:sc= 1.21 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 171:sc= 1.22 USER MOD Single : A 67 ASN : amide:sc= 1.02 K(o=1,f=-0.51) USER MOD Single : A 69 ASN : amide:sc= 1.04 K(o=1,f=-0.015) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -2:sc= 0.361 USER MOD Single : A 93 GLN : amide:sc= 0.927 K(o=0.93,f=-0.14) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.986 K(o=0.99,f=-1.4) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 120 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.18) USER MOD Single : A 125 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 68:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.665 0.343 -2.663 1.00 0.00 N ATOM 19 CA LYS A 2 6.006 0.136 -2.110 1.00 0.00 C ATOM 20 C LYS A 2 6.590 1.516 -1.834 1.00 0.00 C ATOM 21 O LYS A 2 6.349 2.451 -2.600 1.00 0.00 O ATOM 22 CB LYS A 2 6.866 -0.644 -3.124 1.00 0.00 C ATOM 23 CG LYS A 2 6.420 -2.096 -3.388 1.00 0.00 C ATOM 24 CD LYS A 2 6.496 -2.986 -2.144 1.00 0.00 C ATOM 25 CE LYS A 2 6.995 -4.398 -2.497 1.00 0.00 C ATOM 26 NZ LYS A 2 7.302 -5.208 -1.295 1.00 0.00 N ATOM 0 HA LYS A 2 5.978 -0.447 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.863 -0.103 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.896 -0.657 -2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.396 -2.092 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.045 -2.524 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.165 -2.534 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.512 -3.051 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.238 -4.909 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.888 -4.320 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.987 -5.950 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.706 -4.596 -0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.429 -5.647 -0.940 1.00 0.00 H new ATOM 40 N LYS A 3 7.334 1.658 -0.739 1.00 0.00 N ATOM 41 CA LYS A 3 7.955 2.926 -0.373 1.00 0.00 C ATOM 42 C LYS A 3 9.409 2.895 -0.775 1.00 0.00 C ATOM 43 O LYS A 3 10.134 2.011 -0.322 1.00 0.00 O ATOM 44 CB LYS A 3 7.777 3.207 1.128 1.00 0.00 C ATOM 45 CG LYS A 3 6.532 4.090 1.279 1.00 0.00 C ATOM 46 CD LYS A 3 6.183 4.354 2.741 1.00 0.00 C ATOM 47 CE LYS A 3 5.130 5.458 2.847 1.00 0.00 C ATOM 48 NZ LYS A 3 4.785 5.737 4.259 1.00 0.00 N ATOM 0 H LYS A 3 7.522 0.899 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 3 7.467 3.744 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.658 2.276 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.656 3.709 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.699 5.040 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.686 3.609 0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.809 3.440 3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.080 4.644 3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.504 6.367 2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.233 5.162 2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.160 6.567 4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.298 4.913 4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.654 5.927 4.798 1.00 0.00 H new ATOM 62 N VAL A 4 9.834 3.850 -1.590 1.00 0.00 N ATOM 63 CA VAL A 4 11.216 3.972 -2.011 1.00 0.00 C ATOM 64 C VAL A 4 11.910 5.091 -1.246 1.00 0.00 C ATOM 65 O VAL A 4 11.331 6.138 -0.950 1.00 0.00 O ATOM 66 CB VAL A 4 11.274 4.132 -3.539 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.608 5.399 -4.079 1.00 0.00 C ATOM 68 CG2 VAL A 4 12.715 4.084 -4.065 1.00 0.00 C ATOM 0 H VAL A 4 9.221 4.567 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 4 11.769 3.064 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 4 10.701 3.280 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.700 5.424 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.553 5.401 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.096 6.276 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.711 4.201 -5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.294 4.891 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.166 3.126 -3.805 1.00 0.00 H new ATOM 78 N MET A 5 13.184 4.855 -0.970 1.00 0.00 N ATOM 79 CA MET A 5 14.078 5.785 -0.318 1.00 0.00 C ATOM 80 C MET A 5 15.297 6.000 -1.214 1.00 0.00 C ATOM 81 O MET A 5 15.785 5.031 -1.796 1.00 0.00 O ATOM 82 CB MET A 5 14.431 5.205 1.055 1.00 0.00 C ATOM 83 CG MET A 5 15.611 5.911 1.712 1.00 0.00 C ATOM 84 SD MET A 5 15.456 7.708 1.952 1.00 0.00 S ATOM 85 CE MET A 5 13.978 7.858 2.989 1.00 0.00 C ATOM 0 H MET A 5 13.636 3.972 -1.206 1.00 0.00 H new ATOM 0 HA MET A 5 13.623 6.763 -0.161 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.562 5.277 1.708 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.662 4.145 0.947 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.784 5.451 2.685 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.499 5.723 1.108 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.631 8.891 2.981 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.193 7.209 2.600 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.219 7.564 4.011 1.00 0.00 H new ATOM 95 N PHE A 6 15.827 7.226 -1.273 1.00 0.00 N ATOM 96 CA PHE A 6 17.087 7.546 -1.945 1.00 0.00 C ATOM 97 C PHE A 6 18.012 8.228 -0.928 1.00 0.00 C ATOM 98 O PHE A 6 17.606 9.243 -0.368 1.00 0.00 O ATOM 99 CB PHE A 6 16.854 8.448 -3.158 1.00 0.00 C ATOM 100 CG PHE A 6 15.950 7.837 -4.207 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.491 7.006 -5.209 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.566 8.091 -4.173 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.655 6.440 -6.188 1.00 0.00 C ATOM 104 CE2 PHE A 6 13.738 7.497 -5.143 1.00 0.00 C ATOM 105 CZ PHE A 6 14.278 6.691 -6.152 1.00 0.00 C ATOM 0 H PHE A 6 15.382 8.038 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 6 17.548 6.630 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.420 9.390 -2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.816 8.685 -3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.552 6.803 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.146 8.733 -3.413 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.073 5.815 -6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.672 7.665 -5.109 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.632 6.262 -6.904 1.00 0.00 H new ATOM 115 N VAL A 7 19.230 7.736 -0.683 1.00 0.00 N ATOM 116 CA VAL A 7 20.112 8.224 0.386 1.00 0.00 C ATOM 117 C VAL A 7 21.476 8.564 -0.209 1.00 0.00 C ATOM 118 O VAL A 7 22.136 7.680 -0.745 1.00 0.00 O ATOM 119 CB VAL A 7 20.301 7.162 1.496 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.976 7.794 2.725 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.997 6.489 1.933 1.00 0.00 C ATOM 0 H VAL A 7 19.638 6.977 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 7 19.651 9.106 0.830 1.00 0.00 H new ATOM 0 HB VAL A 7 20.932 6.386 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 7 21.104 7.037 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.951 8.191 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.353 8.602 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.209 5.757 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.310 7.242 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.542 5.987 1.079 1.00 0.00 H new ATOM 131 N CYS A 8 21.946 9.806 -0.079 1.00 0.00 N ATOM 132 CA CYS A 8 23.241 10.223 -0.621 1.00 0.00 C ATOM 133 C CYS A 8 24.147 10.679 0.511 1.00 0.00 C ATOM 134 O CYS A 8 23.692 10.983 1.609 1.00 0.00 O ATOM 135 CB CYS A 8 23.015 11.306 -1.698 1.00 0.00 C ATOM 136 SG CYS A 8 24.519 11.978 -2.448 1.00 0.00 S ATOM 0 H CYS A 8 21.441 10.550 0.404 1.00 0.00 H new ATOM 0 HA CYS A 8 23.747 9.389 -1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.392 10.885 -2.487 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.453 12.127 -1.252 1.00 0.00 H new ATOM 0 HG CYS A 8 24.199 12.873 -3.335 1.00 0.00 H new ATOM 142 N LYS A 9 25.439 10.808 0.220 1.00 0.00 N ATOM 143 CA LYS A 9 26.417 11.428 1.108 1.00 0.00 C ATOM 144 C LYS A 9 26.026 12.867 1.502 1.00 0.00 C ATOM 145 O LYS A 9 26.508 13.351 2.524 1.00 0.00 O ATOM 146 CB LYS A 9 27.803 11.349 0.431 1.00 0.00 C ATOM 147 CG LYS A 9 28.805 10.557 1.283 1.00 0.00 C ATOM 148 CD LYS A 9 30.107 10.329 0.500 1.00 0.00 C ATOM 149 CE LYS A 9 31.179 9.593 1.320 1.00 0.00 C ATOM 150 NZ LYS A 9 31.750 10.424 2.412 1.00 0.00 N ATOM 0 H LYS A 9 25.843 10.478 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 9 26.448 10.883 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.704 10.878 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.184 12.356 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 9 29.017 11.099 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.372 9.598 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.888 9.755 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.503 11.291 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 9 30.744 8.690 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.982 9.276 0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.466 9.874 2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.192 11.274 2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.992 10.706 3.066 1.00 0.00 H new ATOM 164 N ARG A 10 25.158 13.540 0.725 1.00 0.00 N ATOM 165 CA ARG A 10 24.733 14.926 0.969 1.00 0.00 C ATOM 166 C ARG A 10 23.242 15.209 0.727 1.00 0.00 C ATOM 167 O ARG A 10 22.814 16.332 0.976 1.00 0.00 O ATOM 168 CB ARG A 10 25.646 15.891 0.189 1.00 0.00 C ATOM 169 CG ARG A 10 25.846 15.563 -1.304 1.00 0.00 C ATOM 170 CD ARG A 10 26.668 16.653 -2.002 1.00 0.00 C ATOM 171 NE ARG A 10 27.985 16.894 -1.380 1.00 0.00 N ATOM 172 CZ ARG A 10 29.094 16.158 -1.528 1.00 0.00 C ATOM 173 NH1 ARG A 10 29.098 15.057 -2.273 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.212 16.533 -0.913 1.00 0.00 N ATOM 0 H ARG A 10 24.727 13.128 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 10 24.847 15.097 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.233 16.897 0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.623 15.908 0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 10 26.351 14.602 -1.404 1.00 0.00 H new ATOM 0 HG3 ARG A 10 24.876 15.466 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.815 16.373 -3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.099 17.583 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 10 28.058 17.709 -0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.245 14.758 -2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 10 29.954 14.511 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.219 17.374 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.062 15.980 -1.019 1.00 0.00 H new ATOM 188 N ASN A 11 22.439 14.234 0.268 1.00 0.00 N ATOM 189 CA ASN A 11 21.039 14.341 -0.223 1.00 0.00 C ATOM 190 C ASN A 11 20.833 15.256 -1.438 1.00 0.00 C ATOM 191 O ASN A 11 20.176 14.866 -2.402 1.00 0.00 O ATOM 192 CB ASN A 11 20.063 14.803 0.884 1.00 0.00 C ATOM 193 CG ASN A 11 18.634 14.961 0.354 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.133 16.069 0.209 1.00 0.00 O ATOM 195 ND2 ASN A 11 17.949 13.880 0.032 1.00 0.00 N ATOM 0 H ASN A 11 22.771 13.271 0.224 1.00 0.00 H new ATOM 0 HA ASN A 11 20.821 13.321 -0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.070 14.080 1.700 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.405 15.752 1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.002 13.967 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.366 12.957 0.153 1.00 0.00 H new ATOM 202 N SER A 12 21.408 16.452 -1.388 1.00 0.00 N ATOM 203 CA SER A 12 21.219 17.605 -2.250 1.00 0.00 C ATOM 204 C SER A 12 21.156 17.416 -3.762 1.00 0.00 C ATOM 205 O SER A 12 20.563 18.272 -4.424 1.00 0.00 O ATOM 206 CB SER A 12 22.328 18.592 -1.901 1.00 0.00 C ATOM 207 OG SER A 12 23.613 17.995 -1.852 1.00 0.00 O ATOM 0 H SER A 12 22.093 16.656 -0.660 1.00 0.00 H new ATOM 0 HA SER A 12 20.204 17.942 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.336 19.395 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.109 19.048 -0.935 1.00 0.00 H new ATOM 0 HG SER A 12 23.953 17.876 -2.763 1.00 0.00 H new ATOM 213 N CYS A 13 21.763 16.359 -4.306 1.00 0.00 N ATOM 214 CA CYS A 13 21.945 16.211 -5.744 1.00 0.00 C ATOM 215 C CYS A 13 21.398 14.863 -6.198 1.00 0.00 C ATOM 216 O CYS A 13 20.339 14.816 -6.827 1.00 0.00 O ATOM 217 CB CYS A 13 23.435 16.378 -6.105 1.00 0.00 C ATOM 218 SG CYS A 13 24.111 17.921 -5.437 1.00 0.00 S ATOM 0 H CYS A 13 22.140 15.585 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 13 21.389 16.988 -6.268 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.002 15.532 -5.715 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.551 16.368 -7.189 1.00 0.00 H new ATOM 0 HG CYS A 13 24.548 18.661 -6.412 1.00 0.00 H new ATOM 224 N ARG A 14 22.098 13.766 -5.868 1.00 0.00 N ATOM 225 CA ARG A 14 21.778 12.455 -6.435 1.00 0.00 C ATOM 226 C ARG A 14 20.374 12.036 -5.979 1.00 0.00 C ATOM 227 O ARG A 14 19.537 11.694 -6.814 1.00 0.00 O ATOM 228 CB ARG A 14 22.855 11.403 -6.094 1.00 0.00 C ATOM 229 CG ARG A 14 24.155 11.711 -6.854 1.00 0.00 C ATOM 230 CD ARG A 14 25.313 10.785 -6.468 1.00 0.00 C ATOM 231 NE ARG A 14 25.983 11.203 -5.227 1.00 0.00 N ATOM 232 CZ ARG A 14 27.035 10.588 -4.671 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.641 9.570 -5.274 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.518 11.042 -3.522 1.00 0.00 N ATOM 0 H ARG A 14 22.883 13.764 -5.216 1.00 0.00 H new ATOM 0 HA ARG A 14 21.776 12.526 -7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.044 11.400 -5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.498 10.407 -6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.971 11.625 -7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.445 12.744 -6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.936 9.769 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.041 10.762 -7.279 1.00 0.00 H new ATOM 0 HE ARG A 14 25.617 12.028 -4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 14 27.306 9.241 -6.180 1.00 0.00 H new ATOM 0 HH12 ARG A 14 28.441 9.117 -4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.089 11.851 -3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.319 10.583 -3.088 1.00 0.00 H new ATOM 248 N SER A 15 20.091 12.121 -4.672 1.00 0.00 N ATOM 249 CA SER A 15 18.807 11.694 -4.126 1.00 0.00 C ATOM 250 C SER A 15 17.686 12.642 -4.550 1.00 0.00 C ATOM 251 O SER A 15 16.594 12.188 -4.881 1.00 0.00 O ATOM 252 CB SER A 15 18.838 11.669 -2.599 1.00 0.00 C ATOM 253 OG SER A 15 20.091 11.340 -2.054 1.00 0.00 O ATOM 0 H SER A 15 20.741 12.484 -3.975 1.00 0.00 H new ATOM 0 HA SER A 15 18.621 10.693 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.537 12.647 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.100 10.950 -2.243 1.00 0.00 H new ATOM 0 HG SER A 15 20.039 11.364 -1.076 1.00 0.00 H new ATOM 259 N GLN A 16 17.939 13.956 -4.522 1.00 0.00 N ATOM 260 CA GLN A 16 16.926 14.968 -4.813 1.00 0.00 C ATOM 261 C GLN A 16 16.373 14.804 -6.227 1.00 0.00 C ATOM 262 O GLN A 16 15.154 14.814 -6.415 1.00 0.00 O ATOM 263 CB GLN A 16 17.538 16.365 -4.620 1.00 0.00 C ATOM 264 CG GLN A 16 17.501 16.790 -3.147 1.00 0.00 C ATOM 265 CD GLN A 16 16.093 17.099 -2.635 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.186 17.467 -3.377 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.884 16.952 -1.343 1.00 0.00 N ATOM 0 H GLN A 16 18.855 14.344 -4.296 1.00 0.00 H new ATOM 0 HA GLN A 16 16.090 14.843 -4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.569 16.365 -4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.992 17.090 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.934 15.997 -2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.128 17.672 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.644 16.646 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.962 17.144 -0.950 1.00 0.00 H new ATOM 276 N MET A 17 17.253 14.603 -7.212 1.00 0.00 N ATOM 277 CA MET A 17 16.814 14.337 -8.573 1.00 0.00 C ATOM 278 C MET A 17 16.049 13.020 -8.649 1.00 0.00 C ATOM 279 O MET A 17 14.986 12.964 -9.269 1.00 0.00 O ATOM 280 CB MET A 17 18.012 14.315 -9.524 1.00 0.00 C ATOM 281 CG MET A 17 18.454 15.740 -9.876 1.00 0.00 C ATOM 282 SD MET A 17 19.413 15.908 -11.406 1.00 0.00 S ATOM 283 CE MET A 17 21.010 15.278 -10.842 1.00 0.00 C ATOM 0 H MET A 17 18.265 14.620 -7.088 1.00 0.00 H new ATOM 0 HA MET A 17 16.141 15.139 -8.878 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.839 13.777 -9.062 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.750 13.776 -10.434 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.566 16.368 -9.954 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.049 16.131 -9.051 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.725 15.310 -11.664 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.374 15.894 -10.020 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.895 14.249 -10.501 1.00 0.00 H new ATOM 293 N ALA A 18 16.559 11.970 -7.997 1.00 0.00 N ATOM 294 CA ALA A 18 15.902 10.675 -8.002 1.00 0.00 C ATOM 295 C ALA A 18 14.481 10.776 -7.446 1.00 0.00 C ATOM 296 O ALA A 18 13.576 10.143 -7.986 1.00 0.00 O ATOM 297 CB ALA A 18 16.733 9.663 -7.215 1.00 0.00 C ATOM 0 H ALA A 18 17.426 12.000 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 18 15.824 10.330 -9.033 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.232 8.695 -7.224 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.718 9.567 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.843 10.004 -6.186 1.00 0.00 H new ATOM 303 N GLU A 19 14.268 11.603 -6.419 1.00 0.00 N ATOM 304 CA GLU A 19 12.945 11.808 -5.841 1.00 0.00 C ATOM 305 C GLU A 19 12.018 12.479 -6.851 1.00 0.00 C ATOM 306 O GLU A 19 10.881 12.033 -7.021 1.00 0.00 O ATOM 307 CB GLU A 19 13.028 12.578 -4.508 1.00 0.00 C ATOM 308 CG GLU A 19 11.643 13.029 -3.998 1.00 0.00 C ATOM 309 CD GLU A 19 11.603 13.502 -2.529 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.614 13.384 -1.802 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.530 13.973 -2.089 1.00 0.00 O ATOM 0 H GLU A 19 15.006 12.145 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 19 12.514 10.835 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.500 11.946 -3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.667 13.452 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.286 13.840 -4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.944 12.201 -4.115 1.00 0.00 H new ATOM 318 N GLY A 20 12.500 13.516 -7.542 1.00 0.00 N ATOM 319 CA GLY A 20 11.710 14.229 -8.531 1.00 0.00 C ATOM 320 C GLY A 20 11.257 13.295 -9.653 1.00 0.00 C ATOM 321 O GLY A 20 10.082 13.323 -10.030 1.00 0.00 O ATOM 0 H GLY A 20 13.446 13.878 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.839 14.675 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.297 15.046 -8.949 1.00 0.00 H new ATOM 325 N PHE A 21 12.143 12.433 -10.167 1.00 0.00 N ATOM 326 CA PHE A 21 11.735 11.464 -11.178 1.00 0.00 C ATOM 327 C PHE A 21 10.774 10.455 -10.555 1.00 0.00 C ATOM 328 O PHE A 21 9.686 10.267 -11.082 1.00 0.00 O ATOM 329 CB PHE A 21 12.938 10.784 -11.857 1.00 0.00 C ATOM 330 CG PHE A 21 13.834 11.753 -12.608 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.324 12.519 -13.679 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.149 11.974 -12.161 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.092 13.567 -14.222 1.00 0.00 C ATOM 334 CE2 PHE A 21 15.911 13.022 -12.705 1.00 0.00 C ATOM 335 CZ PHE A 21 15.365 13.833 -13.711 1.00 0.00 C ATOM 0 H PHE A 21 13.127 12.390 -9.903 1.00 0.00 H new ATOM 0 HA PHE A 21 11.214 11.994 -11.976 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.528 10.267 -11.100 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.574 10.026 -12.550 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.346 12.301 -14.081 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.574 11.338 -11.399 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.698 14.164 -15.031 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.915 13.203 -12.349 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.932 14.669 -14.093 1.00 0.00 H new ATOM 345 N ALA A 22 11.109 9.846 -9.418 1.00 0.00 N ATOM 346 CA ALA A 22 10.325 8.771 -8.816 1.00 0.00 C ATOM 347 C ALA A 22 8.894 9.186 -8.535 1.00 0.00 C ATOM 348 O ALA A 22 7.983 8.415 -8.835 1.00 0.00 O ATOM 349 CB ALA A 22 11.000 8.288 -7.533 1.00 0.00 C ATOM 0 H ALA A 22 11.943 10.089 -8.883 1.00 0.00 H new ATOM 0 HA ALA A 22 10.284 7.955 -9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.409 7.486 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.998 7.917 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.075 9.116 -6.828 1.00 0.00 H new ATOM 355 N LYS A 23 8.664 10.393 -8.014 1.00 0.00 N ATOM 356 CA LYS A 23 7.302 10.843 -7.817 1.00 0.00 C ATOM 357 C LYS A 23 6.629 11.110 -9.160 1.00 0.00 C ATOM 358 O LYS A 23 5.471 10.765 -9.320 1.00 0.00 O ATOM 359 CB LYS A 23 7.220 12.018 -6.836 1.00 0.00 C ATOM 360 CG LYS A 23 7.671 13.364 -7.396 1.00 0.00 C ATOM 361 CD LYS A 23 7.803 14.367 -6.245 1.00 0.00 C ATOM 362 CE LYS A 23 7.590 15.768 -6.812 1.00 0.00 C ATOM 363 NZ LYS A 23 7.849 16.828 -5.805 1.00 0.00 N ATOM 0 H LYS A 23 9.387 11.054 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 23 6.736 10.043 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.190 12.112 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.828 11.784 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.625 13.256 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.951 13.726 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.068 14.155 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.787 14.289 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.248 15.915 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.567 15.858 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.708 17.762 -6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.193 16.716 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.828 16.750 -5.463 1.00 0.00 H new ATOM 377 N THR A 24 7.304 11.634 -10.175 1.00 0.00 N ATOM 378 CA THR A 24 6.630 11.868 -11.435 1.00 0.00 C ATOM 379 C THR A 24 6.232 10.536 -12.090 1.00 0.00 C ATOM 380 O THR A 24 5.124 10.382 -12.607 1.00 0.00 O ATOM 381 CB THR A 24 7.582 12.675 -12.328 1.00 0.00 C ATOM 382 OG1 THR A 24 7.990 13.858 -11.669 1.00 0.00 O ATOM 383 CG2 THR A 24 6.898 13.072 -13.628 1.00 0.00 C ATOM 0 H THR A 24 8.289 11.897 -10.150 1.00 0.00 H new ATOM 0 HA THR A 24 5.708 12.428 -11.281 1.00 0.00 H new ATOM 0 HB THR A 24 8.445 12.044 -12.542 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.668 13.640 -10.996 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.592 13.643 -14.245 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.589 12.175 -14.165 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.022 13.682 -13.407 1.00 0.00 H new ATOM 391 N LEU A 25 7.151 9.573 -12.054 1.00 0.00 N ATOM 392 CA LEU A 25 7.045 8.283 -12.705 1.00 0.00 C ATOM 393 C LEU A 25 6.048 7.392 -11.979 1.00 0.00 C ATOM 394 O LEU A 25 5.286 6.677 -12.631 1.00 0.00 O ATOM 395 CB LEU A 25 8.429 7.622 -12.714 1.00 0.00 C ATOM 396 CG LEU A 25 9.476 8.365 -13.568 1.00 0.00 C ATOM 397 CD1 LEU A 25 10.847 7.780 -13.241 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.184 8.232 -15.064 1.00 0.00 C ATOM 0 H LEU A 25 8.028 9.683 -11.545 1.00 0.00 H new ATOM 0 HA LEU A 25 6.690 8.423 -13.726 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.794 7.554 -11.689 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.330 6.602 -13.086 1.00 0.00 H new ATOM 0 HG LEU A 25 9.444 9.429 -13.334 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.609 8.288 -13.832 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.058 7.918 -12.181 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.854 6.716 -13.477 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.944 8.769 -15.632 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.197 7.179 -15.345 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.203 8.653 -15.282 1.00 0.00 H new ATOM 410 N GLY A 26 6.053 7.446 -10.645 1.00 0.00 N ATOM 411 CA GLY A 26 5.317 6.494 -9.826 1.00 0.00 C ATOM 412 C GLY A 26 4.475 7.032 -8.670 1.00 0.00 C ATOM 413 O GLY A 26 3.893 6.198 -7.972 1.00 0.00 O ATOM 0 H GLY A 26 6.565 8.147 -10.110 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.656 5.930 -10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.035 5.786 -9.413 1.00 0.00 H new ATOM 456 N ILE A 30 3.896 4.118 -5.928 1.00 0.00 N ATOM 457 CA ILE A 30 4.994 4.150 -4.978 1.00 0.00 C ATOM 458 C ILE A 30 4.922 5.499 -4.275 1.00 0.00 C ATOM 459 O ILE A 30 4.381 6.469 -4.815 1.00 0.00 O ATOM 460 CB ILE A 30 6.373 3.910 -5.636 1.00 0.00 C ATOM 461 CG1 ILE A 30 6.718 4.870 -6.797 1.00 0.00 C ATOM 462 CG2 ILE A 30 6.466 2.451 -6.106 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.227 5.050 -7.019 1.00 0.00 C ATOM 0 HA ILE A 30 4.892 3.332 -4.265 1.00 0.00 H new ATOM 0 HB ILE A 30 7.114 4.122 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.267 4.493 -7.715 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.270 5.843 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.437 2.279 -6.570 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.350 1.785 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.677 2.251 -6.831 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.393 5.737 -7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.682 5.456 -6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.678 4.085 -7.250 1.00 0.00 H new ATOM 475 N ALA A 31 5.489 5.551 -3.077 1.00 0.00 N ATOM 476 CA ALA A 31 5.694 6.776 -2.332 1.00 0.00 C ATOM 477 C ALA A 31 7.195 6.883 -2.116 1.00 0.00 C ATOM 478 O ALA A 31 7.834 5.911 -1.713 1.00 0.00 O ATOM 479 CB ALA A 31 4.914 6.713 -1.016 1.00 0.00 C ATOM 0 H ALA A 31 5.825 4.721 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 31 5.330 7.658 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.069 7.635 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.852 6.592 -1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.265 5.867 -0.425 1.00 0.00 H new ATOM 485 N VAL A 32 7.762 8.042 -2.423 1.00 0.00 N ATOM 486 CA VAL A 32 9.181 8.292 -2.358 1.00 0.00 C ATOM 487 C VAL A 32 9.519 9.303 -1.263 1.00 0.00 C ATOM 488 O VAL A 32 8.727 10.196 -0.951 1.00 0.00 O ATOM 489 CB VAL A 32 9.622 8.795 -3.743 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.801 9.948 -4.332 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.098 9.201 -3.730 1.00 0.00 C ATOM 0 H VAL A 32 7.225 8.852 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 32 9.715 7.377 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 32 9.446 7.939 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.202 10.219 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.762 9.637 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.854 10.810 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.387 9.553 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.250 9.998 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.710 8.341 -3.458 1.00 0.00 H new ATOM 501 N THR A 33 10.723 9.183 -0.710 1.00 0.00 N ATOM 502 CA THR A 33 11.336 10.173 0.145 1.00 0.00 C ATOM 503 C THR A 33 12.835 10.059 -0.130 1.00 0.00 C ATOM 504 O THR A 33 13.350 8.949 -0.244 1.00 0.00 O ATOM 505 CB THR A 33 11.018 9.906 1.627 1.00 0.00 C ATOM 506 OG1 THR A 33 9.645 9.631 1.851 1.00 0.00 O ATOM 507 CG2 THR A 33 11.415 11.083 2.519 1.00 0.00 C ATOM 0 H THR A 33 11.312 8.363 -0.855 1.00 0.00 H new ATOM 0 HA THR A 33 10.960 11.175 -0.060 1.00 0.00 H new ATOM 0 HB THR A 33 11.607 9.027 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.543 9.138 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.173 10.851 3.556 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.486 11.263 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.869 11.974 2.209 1.00 0.00 H new ATOM 515 N SER A 34 13.550 11.164 -0.284 1.00 0.00 N ATOM 516 CA SER A 34 14.995 11.155 -0.317 1.00 0.00 C ATOM 517 C SER A 34 15.508 11.635 1.034 1.00 0.00 C ATOM 518 O SER A 34 14.819 12.344 1.774 1.00 0.00 O ATOM 519 CB SER A 34 15.511 12.010 -1.474 1.00 0.00 C ATOM 520 OG SER A 34 15.149 13.371 -1.380 1.00 0.00 O ATOM 0 H SER A 34 13.138 12.091 -0.389 1.00 0.00 H new ATOM 0 HA SER A 34 15.368 10.146 -0.492 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.598 11.934 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.129 11.606 -2.411 1.00 0.00 H new ATOM 0 HG SER A 34 14.206 13.476 -1.625 1.00 0.00 H new ATOM 526 N CYS A 35 16.735 11.246 1.350 1.00 0.00 N ATOM 527 CA CYS A 35 17.443 11.585 2.559 1.00 0.00 C ATOM 528 C CYS A 35 18.924 11.646 2.199 1.00 0.00 C ATOM 529 O CYS A 35 19.317 11.515 1.031 1.00 0.00 O ATOM 530 CB CYS A 35 17.155 10.501 3.610 1.00 0.00 C ATOM 531 SG CYS A 35 15.578 10.835 4.434 1.00 0.00 S ATOM 0 H CYS A 35 17.287 10.653 0.730 1.00 0.00 H new ATOM 0 HA CYS A 35 17.132 12.543 2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.125 9.521 3.134 1.00 0.00 H new ATOM 0 HB3 CYS A 35 17.959 10.474 4.345 1.00 0.00 H new ATOM 0 HG CYS A 35 14.820 11.543 3.650 1.00 0.00 H new ATOM 537 N GLY A 36 19.763 11.851 3.200 1.00 0.00 N ATOM 538 CA GLY A 36 21.192 11.714 3.064 1.00 0.00 C ATOM 539 C GLY A 36 21.751 11.285 4.385 1.00 0.00 C ATOM 540 O GLY A 36 21.168 11.565 5.435 1.00 0.00 O ATOM 0 H GLY A 36 19.462 12.120 4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.432 10.981 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.636 12.659 2.753 1.00 0.00 H new ATOM 544 N LEU A 37 22.901 10.628 4.297 1.00 0.00 N ATOM 545 CA LEU A 37 23.749 10.297 5.415 1.00 0.00 C ATOM 546 C LEU A 37 23.973 11.546 6.285 1.00 0.00 C ATOM 547 O LEU A 37 24.042 11.463 7.510 1.00 0.00 O ATOM 548 CB LEU A 37 25.028 9.751 4.779 1.00 0.00 C ATOM 549 CG LEU A 37 26.093 9.407 5.808 1.00 0.00 C ATOM 550 CD1 LEU A 37 25.619 8.293 6.749 1.00 0.00 C ATOM 551 CD2 LEU A 37 27.360 8.980 5.064 1.00 0.00 C ATOM 0 H LEU A 37 23.275 10.302 3.406 1.00 0.00 H new ATOM 0 HA LEU A 37 23.323 9.557 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 37 24.789 8.860 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.426 10.489 4.082 1.00 0.00 H new ATOM 0 HG LEU A 37 26.297 10.282 6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.403 8.070 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 37 24.721 8.618 7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 37 25.395 7.398 6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 37 28.138 8.728 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 37 27.143 8.109 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 37 27.703 9.798 4.431 1.00 0.00 H new ATOM 563 N GLU A 38 24.037 12.702 5.628 1.00 0.00 N ATOM 564 CA GLU A 38 24.006 14.036 6.193 1.00 0.00 C ATOM 565 C GLU A 38 23.274 14.877 5.138 1.00 0.00 C ATOM 566 O GLU A 38 23.334 14.571 3.941 1.00 0.00 O ATOM 567 CB GLU A 38 25.428 14.543 6.464 1.00 0.00 C ATOM 568 CG GLU A 38 25.439 15.828 7.303 1.00 0.00 C ATOM 569 CD GLU A 38 26.873 16.244 7.678 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.553 16.919 6.871 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.334 15.917 8.796 1.00 0.00 O ATOM 0 H GLU A 38 24.118 12.725 4.611 1.00 0.00 H new ATOM 0 HA GLU A 38 23.501 14.081 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.995 13.769 6.982 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.933 14.727 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.960 16.632 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.854 15.677 8.210 1.00 0.00 H new ATOM 578 N SER A 39 22.544 15.896 5.575 1.00 0.00 N ATOM 579 CA SER A 39 21.807 16.802 4.699 1.00 0.00 C ATOM 580 C SER A 39 22.715 17.913 4.142 1.00 0.00 C ATOM 581 O SER A 39 23.797 18.187 4.670 1.00 0.00 O ATOM 582 CB SER A 39 20.618 17.379 5.486 1.00 0.00 C ATOM 583 OG SER A 39 20.972 17.686 6.829 1.00 0.00 O ATOM 0 H SER A 39 22.445 16.121 6.565 1.00 0.00 H new ATOM 0 HA SER A 39 21.436 16.252 3.834 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.257 18.280 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.797 16.662 5.481 1.00 0.00 H new ATOM 0 HG SER A 39 20.193 18.052 7.297 1.00 0.00 H new ATOM 589 N SER A 40 22.264 18.578 3.077 1.00 0.00 N ATOM 590 CA SER A 40 22.820 19.795 2.490 1.00 0.00 C ATOM 591 C SER A 40 21.701 20.425 1.647 1.00 0.00 C ATOM 592 O SER A 40 20.746 19.729 1.294 1.00 0.00 O ATOM 593 CB SER A 40 24.038 19.457 1.615 1.00 0.00 C ATOM 594 OG SER A 40 25.109 18.975 2.406 1.00 0.00 O ATOM 0 H SER A 40 21.442 18.256 2.567 1.00 0.00 H new ATOM 0 HA SER A 40 23.161 20.486 3.261 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.762 18.707 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.355 20.345 1.068 1.00 0.00 H new ATOM 0 HG SER A 40 24.788 18.791 3.314 1.00 0.00 H new ATOM 600 N ARG A 41 21.781 21.722 1.321 1.00 0.00 N ATOM 601 CA ARG A 41 20.763 22.430 0.536 1.00 0.00 C ATOM 602 C ARG A 41 20.482 21.686 -0.762 1.00 0.00 C ATOM 603 O ARG A 41 21.440 21.240 -1.385 1.00 0.00 O ATOM 604 CB ARG A 41 21.195 23.895 0.289 1.00 0.00 C ATOM 605 CG ARG A 41 22.288 24.202 -0.766 1.00 0.00 C ATOM 606 CD ARG A 41 23.721 23.700 -0.496 1.00 0.00 C ATOM 607 NE ARG A 41 23.932 22.308 -0.943 1.00 0.00 N ATOM 608 CZ ARG A 41 25.011 21.805 -1.559 1.00 0.00 C ATOM 609 NH1 ARG A 41 26.071 22.546 -1.856 1.00 0.00 N ATOM 610 NH2 ARG A 41 25.058 20.531 -1.922 1.00 0.00 N ATOM 0 H ARG A 41 22.563 22.315 1.598 1.00 0.00 H new ATOM 0 HA ARG A 41 19.831 22.459 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.303 24.455 0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.538 24.299 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 41 21.961 23.781 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.332 25.283 -0.895 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.432 24.352 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.931 23.770 0.571 1.00 0.00 H new ATOM 0 HE ARG A 41 23.170 21.655 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.084 23.537 -1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.873 22.125 -2.325 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.265 19.917 -1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.887 20.164 -2.390 1.00 0.00 H new ATOM 624 N VAL A 42 19.230 21.553 -1.198 1.00 0.00 N ATOM 625 CA VAL A 42 18.978 21.015 -2.536 1.00 0.00 C ATOM 626 C VAL A 42 19.705 21.910 -3.547 1.00 0.00 C ATOM 627 O VAL A 42 19.634 23.141 -3.476 1.00 0.00 O ATOM 628 CB VAL A 42 17.483 20.789 -2.825 1.00 0.00 C ATOM 629 CG1 VAL A 42 16.594 22.009 -2.563 1.00 0.00 C ATOM 630 CG2 VAL A 42 17.282 20.294 -4.270 1.00 0.00 C ATOM 0 H VAL A 42 18.397 21.801 -0.664 1.00 0.00 H new ATOM 0 HA VAL A 42 19.385 20.007 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 42 17.164 20.026 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.558 21.760 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 42 16.674 22.299 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.917 22.837 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.219 20.139 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.669 21.038 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.816 19.354 -4.410 1.00 0.00 H new ATOM 640 N HIS A 43 20.468 21.276 -4.433 1.00 0.00 N ATOM 641 CA HIS A 43 21.391 21.967 -5.314 1.00 0.00 C ATOM 642 C HIS A 43 20.617 22.685 -6.431 1.00 0.00 C ATOM 643 O HIS A 43 19.625 22.138 -6.916 1.00 0.00 O ATOM 644 CB HIS A 43 22.388 20.928 -5.833 1.00 0.00 C ATOM 645 CG HIS A 43 23.713 21.515 -6.236 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.113 21.838 -7.509 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.746 21.837 -5.398 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.357 22.341 -7.437 1.00 0.00 C ATOM 649 NE2 HIS A 43 25.791 22.362 -6.167 1.00 0.00 N ATOM 0 H HIS A 43 20.460 20.264 -4.557 1.00 0.00 H new ATOM 0 HA HIS A 43 21.945 22.748 -4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.553 20.177 -5.061 1.00 0.00 H new ATOM 0 HB3 HIS A 43 21.952 20.414 -6.690 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.754 21.708 -4.326 1.00 0.00 H new ATOM 0 HE1 HIS A 43 25.930 22.682 -8.286 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.696 22.692 -5.832 1.00 0.00 H new ATOM 657 N PRO A 44 21.030 23.889 -6.871 1.00 0.00 N ATOM 658 CA PRO A 44 20.206 24.693 -7.763 1.00 0.00 C ATOM 659 C PRO A 44 20.257 24.194 -9.202 1.00 0.00 C ATOM 660 O PRO A 44 19.217 24.080 -9.838 1.00 0.00 O ATOM 661 CB PRO A 44 20.733 26.123 -7.619 1.00 0.00 C ATOM 662 CG PRO A 44 22.207 25.932 -7.258 1.00 0.00 C ATOM 663 CD PRO A 44 22.226 24.618 -6.473 1.00 0.00 C ATOM 0 HA PRO A 44 19.151 24.632 -7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 44 20.617 26.687 -8.544 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.198 26.670 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.832 25.874 -8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 44 22.582 26.761 -6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.125 24.044 -6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.228 24.806 -5.399 1.00 0.00 H new ATOM 671 N THR A 45 21.417 23.819 -9.733 1.00 0.00 N ATOM 672 CA THR A 45 21.503 23.351 -11.114 1.00 0.00 C ATOM 673 C THR A 45 20.686 22.069 -11.323 1.00 0.00 C ATOM 674 O THR A 45 20.175 21.838 -12.416 1.00 0.00 O ATOM 675 CB THR A 45 22.992 23.160 -11.443 1.00 0.00 C ATOM 676 OG1 THR A 45 23.703 24.342 -11.110 1.00 0.00 O ATOM 677 CG2 THR A 45 23.273 22.770 -12.892 1.00 0.00 C ATOM 0 H THR A 45 22.306 23.829 -9.232 1.00 0.00 H new ATOM 0 HA THR A 45 21.071 24.083 -11.796 1.00 0.00 H new ATOM 0 HB THR A 45 23.333 22.317 -10.842 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.653 24.222 -11.317 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.347 22.656 -13.036 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.774 21.828 -13.118 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.898 23.548 -13.557 1.00 0.00 H new ATOM 685 N ALA A 46 20.458 21.286 -10.262 1.00 0.00 N ATOM 686 CA ALA A 46 19.585 20.119 -10.297 1.00 0.00 C ATOM 687 C ALA A 46 18.217 20.461 -10.874 1.00 0.00 C ATOM 688 O ALA A 46 17.658 19.687 -11.654 1.00 0.00 O ATOM 689 CB ALA A 46 19.377 19.632 -8.867 1.00 0.00 C ATOM 0 H ALA A 46 20.881 21.451 -9.349 1.00 0.00 H new ATOM 0 HA ALA A 46 20.053 19.360 -10.924 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.726 18.758 -8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.339 19.365 -8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.917 20.424 -8.276 1.00 0.00 H new ATOM 695 N ILE A 47 17.698 21.636 -10.498 1.00 0.00 N ATOM 696 CA ILE A 47 16.419 22.122 -10.934 1.00 0.00 C ATOM 697 C ILE A 47 16.415 22.133 -12.461 1.00 0.00 C ATOM 698 O ILE A 47 15.467 21.658 -13.078 1.00 0.00 O ATOM 699 CB ILE A 47 16.218 23.542 -10.365 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.256 23.576 -8.816 1.00 0.00 C ATOM 701 CG2 ILE A 47 14.920 24.142 -10.895 1.00 0.00 C ATOM 702 CD1 ILE A 47 16.504 24.984 -8.262 1.00 0.00 C ATOM 0 H ILE A 47 18.180 22.277 -9.868 1.00 0.00 H new ATOM 0 HA ILE A 47 15.605 21.489 -10.582 1.00 0.00 H new ATOM 0 HB ILE A 47 17.056 24.150 -10.706 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.312 23.197 -8.425 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.040 22.907 -8.461 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.789 25.144 -10.487 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.962 24.196 -11.983 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.080 23.515 -10.595 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.521 24.949 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.461 25.356 -8.628 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.707 25.650 -8.591 1.00 0.00 H new ATOM 714 N ALA A 48 17.490 22.648 -13.062 1.00 0.00 N ATOM 715 CA ALA A 48 17.587 22.908 -14.477 1.00 0.00 C ATOM 716 C ALA A 48 17.537 21.602 -15.254 1.00 0.00 C ATOM 717 O ALA A 48 16.903 21.520 -16.300 1.00 0.00 O ATOM 718 CB ALA A 48 18.879 23.677 -14.767 1.00 0.00 C ATOM 0 H ALA A 48 18.336 22.899 -12.551 1.00 0.00 H new ATOM 0 HA ALA A 48 16.742 23.518 -14.796 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.953 23.874 -15.837 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.870 24.622 -14.224 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.735 23.083 -14.447 1.00 0.00 H new ATOM 724 N MET A 49 18.182 20.568 -14.723 1.00 0.00 N ATOM 725 CA MET A 49 18.252 19.264 -15.359 1.00 0.00 C ATOM 726 C MET A 49 16.869 18.587 -15.358 1.00 0.00 C ATOM 727 O MET A 49 16.397 18.020 -16.357 1.00 0.00 O ATOM 728 CB MET A 49 19.297 18.415 -14.630 1.00 0.00 C ATOM 729 CG MET A 49 20.549 19.129 -14.115 1.00 0.00 C ATOM 730 SD MET A 49 21.291 20.495 -15.073 1.00 0.00 S ATOM 731 CE MET A 49 21.601 19.733 -16.673 1.00 0.00 C ATOM 0 H MET A 49 18.674 20.616 -13.831 1.00 0.00 H new ATOM 0 HA MET A 49 18.553 19.374 -16.401 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.809 17.936 -13.781 1.00 0.00 H new ATOM 0 HB3 MET A 49 19.616 17.620 -15.305 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.313 19.520 -13.125 1.00 0.00 H new ATOM 0 HG3 MET A 49 21.321 18.371 -13.983 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.377 20.447 -17.466 1.00 0.00 H new ATOM 0 HE2 MET A 49 22.648 19.436 -16.738 1.00 0.00 H new ATOM 0 HE3 MET A 49 20.966 18.854 -16.787 1.00 0.00 H new ATOM 741 N MET A 50 16.185 18.666 -14.220 1.00 0.00 N ATOM 742 CA MET A 50 14.831 18.166 -14.095 1.00 0.00 C ATOM 743 C MET A 50 13.895 18.982 -14.975 1.00 0.00 C ATOM 744 O MET A 50 13.024 18.399 -15.614 1.00 0.00 O ATOM 745 CB MET A 50 14.412 18.167 -12.624 1.00 0.00 C ATOM 746 CG MET A 50 15.263 17.140 -11.862 1.00 0.00 C ATOM 747 SD MET A 50 14.376 16.220 -10.587 1.00 0.00 S ATOM 748 CE MET A 50 13.277 15.245 -11.619 1.00 0.00 C ATOM 0 H MET A 50 16.558 19.078 -13.365 1.00 0.00 H new ATOM 0 HA MET A 50 14.778 17.134 -14.443 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.546 19.160 -12.195 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.354 17.921 -12.534 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.680 16.432 -12.578 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.103 17.657 -11.399 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.250 15.367 -11.274 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.355 15.581 -12.653 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.557 14.194 -11.557 1.00 0.00 H new ATOM 758 N GLU A 51 14.126 20.287 -15.116 1.00 0.00 N ATOM 759 CA GLU A 51 13.384 21.133 -16.040 1.00 0.00 C ATOM 760 C GLU A 51 13.592 20.696 -17.490 1.00 0.00 C ATOM 761 O GLU A 51 12.694 20.897 -18.307 1.00 0.00 O ATOM 762 CB GLU A 51 13.793 22.600 -15.864 1.00 0.00 C ATOM 763 CG GLU A 51 13.020 23.304 -14.739 1.00 0.00 C ATOM 764 CD GLU A 51 13.307 24.817 -14.710 1.00 0.00 C ATOM 765 OE1 GLU A 51 14.477 25.231 -14.546 1.00 0.00 O ATOM 766 OE2 GLU A 51 12.353 25.616 -14.855 1.00 0.00 O ATOM 0 H GLU A 51 14.840 20.787 -14.586 1.00 0.00 H new ATOM 0 HA GLU A 51 12.324 21.028 -15.809 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.861 22.651 -15.652 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.628 23.133 -16.800 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.951 23.139 -14.874 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.292 22.864 -13.780 1.00 0.00 H new ATOM 773 N GLU A 52 14.723 20.059 -17.816 1.00 0.00 N ATOM 774 CA GLU A 52 14.923 19.493 -19.145 1.00 0.00 C ATOM 775 C GLU A 52 13.942 18.355 -19.375 1.00 0.00 C ATOM 776 O GLU A 52 13.391 18.222 -20.470 1.00 0.00 O ATOM 777 CB GLU A 52 16.338 18.955 -19.388 1.00 0.00 C ATOM 778 CG GLU A 52 17.424 20.000 -19.114 1.00 0.00 C ATOM 779 CD GLU A 52 18.728 19.717 -19.867 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.497 18.821 -19.447 1.00 0.00 O ATOM 781 OE2 GLU A 52 19.013 20.412 -20.866 1.00 0.00 O ATOM 0 H GLU A 52 15.507 19.926 -17.178 1.00 0.00 H new ATOM 0 HA GLU A 52 14.761 20.316 -19.841 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.506 18.087 -18.751 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.420 18.614 -20.420 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.053 20.985 -19.398 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.628 20.032 -18.044 1.00 0.00 H new ATOM 788 N VAL A 53 13.718 17.543 -18.338 1.00 0.00 N ATOM 789 CA VAL A 53 12.743 16.451 -18.454 1.00 0.00 C ATOM 790 C VAL A 53 11.303 16.996 -18.358 1.00 0.00 C ATOM 791 O VAL A 53 10.382 16.401 -18.922 1.00 0.00 O ATOM 792 CB VAL A 53 13.073 15.342 -17.438 1.00 0.00 C ATOM 793 CG1 VAL A 53 12.080 14.170 -17.475 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.472 14.773 -17.739 1.00 0.00 C ATOM 0 H VAL A 53 14.182 17.615 -17.433 1.00 0.00 H new ATOM 0 HA VAL A 53 12.811 15.988 -19.438 1.00 0.00 H new ATOM 0 HB VAL A 53 13.019 15.804 -16.452 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.370 13.424 -16.735 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.078 14.535 -17.249 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.087 13.719 -18.467 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.708 13.988 -17.021 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.487 14.359 -18.747 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.213 15.569 -17.662 1.00 0.00 H new ATOM 804 N GLY A 54 11.106 18.144 -17.703 1.00 0.00 N ATOM 805 CA GLY A 54 9.811 18.793 -17.520 1.00 0.00 C ATOM 806 C GLY A 54 9.326 18.691 -16.072 1.00 0.00 C ATOM 807 O GLY A 54 8.118 18.696 -15.832 1.00 0.00 O ATOM 0 H GLY A 54 11.872 18.662 -17.272 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.886 19.842 -17.805 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.077 18.334 -18.183 1.00 0.00 H new ATOM 811 N ILE A 55 10.252 18.556 -15.117 1.00 0.00 N ATOM 812 CA ILE A 55 9.976 18.419 -13.685 1.00 0.00 C ATOM 813 C ILE A 55 10.723 19.560 -12.960 1.00 0.00 C ATOM 814 O ILE A 55 11.394 20.372 -13.597 1.00 0.00 O ATOM 815 CB ILE A 55 10.358 16.983 -13.236 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.667 15.885 -14.087 1.00 0.00 C ATOM 817 CG2 ILE A 55 10.016 16.695 -11.757 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.535 14.631 -14.170 1.00 0.00 C ATOM 0 H ILE A 55 11.250 18.539 -15.329 1.00 0.00 H new ATOM 0 HA ILE A 55 8.921 18.526 -13.433 1.00 0.00 H new ATOM 0 HB ILE A 55 11.438 16.946 -13.377 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.701 15.635 -13.649 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.474 16.265 -15.090 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.308 15.675 -11.508 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.554 17.393 -11.116 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.944 16.813 -11.602 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.028 13.877 -14.772 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.491 14.880 -14.630 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.706 14.240 -13.167 1.00 0.00 H new ATOM 830 N ASP A 56 10.604 19.661 -11.637 1.00 0.00 N ATOM 831 CA ASP A 56 11.197 20.713 -10.813 1.00 0.00 C ATOM 832 C ASP A 56 11.658 20.113 -9.482 1.00 0.00 C ATOM 833 O ASP A 56 11.108 19.100 -9.043 1.00 0.00 O ATOM 834 CB ASP A 56 10.145 21.800 -10.545 1.00 0.00 C ATOM 835 CG ASP A 56 10.638 22.801 -9.495 1.00 0.00 C ATOM 836 OD1 ASP A 56 11.715 23.397 -9.714 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.004 22.925 -8.425 1.00 0.00 O ATOM 0 H ASP A 56 10.071 18.986 -11.089 1.00 0.00 H new ATOM 0 HA ASP A 56 12.050 21.150 -11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.916 22.325 -11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.219 21.337 -10.204 1.00 0.00 H new ATOM 842 N ILE A 57 12.627 20.761 -8.827 1.00 0.00 N ATOM 843 CA ILE A 57 13.034 20.450 -7.458 1.00 0.00 C ATOM 844 C ILE A 57 13.046 21.695 -6.554 1.00 0.00 C ATOM 845 O ILE A 57 13.028 21.546 -5.335 1.00 0.00 O ATOM 846 CB ILE A 57 14.378 19.691 -7.388 1.00 0.00 C ATOM 847 CG1 ILE A 57 14.862 19.009 -8.681 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.276 18.633 -6.283 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.229 18.357 -8.473 1.00 0.00 C ATOM 0 H ILE A 57 13.157 21.527 -9.242 1.00 0.00 H new ATOM 0 HA ILE A 57 12.271 19.774 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 57 15.124 20.461 -7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.139 18.256 -8.993 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.923 19.744 -9.484 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.216 18.085 -6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.072 19.121 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.467 17.940 -6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.550 17.882 -9.400 1.00 0.00 H new ATOM 0 HD12 ILE A 57 16.955 19.117 -8.185 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.158 17.606 -7.686 1.00 0.00 H new ATOM 861 N SER A 58 13.016 22.910 -7.109 1.00 0.00 N ATOM 862 CA SER A 58 12.868 24.166 -6.363 1.00 0.00 C ATOM 863 C SER A 58 11.755 24.103 -5.300 1.00 0.00 C ATOM 864 O SER A 58 11.898 24.672 -4.215 1.00 0.00 O ATOM 865 CB SER A 58 12.524 25.322 -7.317 1.00 0.00 C ATOM 866 OG SER A 58 13.131 25.190 -8.576 1.00 0.00 O ATOM 0 H SER A 58 13.096 23.052 -8.116 1.00 0.00 H new ATOM 0 HA SER A 58 13.825 24.330 -5.867 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.443 25.372 -7.444 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.836 26.264 -6.866 1.00 0.00 H new ATOM 0 HG SER A 58 12.490 24.804 -9.209 1.00 0.00 H new ATOM 872 N GLY A 59 10.643 23.429 -5.618 1.00 0.00 N ATOM 873 CA GLY A 59 9.443 23.378 -4.793 1.00 0.00 C ATOM 874 C GLY A 59 9.551 22.445 -3.585 1.00 0.00 C ATOM 875 O GLY A 59 8.636 22.437 -2.758 1.00 0.00 O ATOM 0 H GLY A 59 10.557 22.892 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.214 24.384 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.604 23.058 -5.411 1.00 0.00 H new ATOM 879 N GLN A 60 10.636 21.674 -3.456 1.00 0.00 N ATOM 880 CA GLN A 60 10.886 20.758 -2.357 1.00 0.00 C ATOM 881 C GLN A 60 12.235 21.051 -1.693 1.00 0.00 C ATOM 882 O GLN A 60 13.034 21.838 -2.201 1.00 0.00 O ATOM 883 CB GLN A 60 10.740 19.311 -2.857 1.00 0.00 C ATOM 884 CG GLN A 60 11.781 18.853 -3.887 1.00 0.00 C ATOM 885 CD GLN A 60 11.584 17.405 -4.342 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.480 16.981 -4.685 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.654 16.630 -4.395 1.00 0.00 N ATOM 0 H GLN A 60 11.388 21.677 -4.145 1.00 0.00 H new ATOM 0 HA GLN A 60 10.143 20.902 -1.572 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.789 18.643 -1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.748 19.196 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.736 19.509 -4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.778 18.960 -3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.562 16.994 -4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.571 15.668 -4.723 1.00 0.00 H new ATOM 896 N THR A 61 12.483 20.424 -0.545 1.00 0.00 N ATOM 897 CA THR A 61 13.630 20.688 0.315 1.00 0.00 C ATOM 898 C THR A 61 14.386 19.394 0.626 1.00 0.00 C ATOM 899 O THR A 61 13.925 18.290 0.315 1.00 0.00 O ATOM 900 CB THR A 61 13.131 21.398 1.591 1.00 0.00 C ATOM 901 OG1 THR A 61 12.001 20.745 2.153 1.00 0.00 O ATOM 902 CG2 THR A 61 12.702 22.826 1.257 1.00 0.00 C ATOM 0 H THR A 61 11.871 19.696 -0.178 1.00 0.00 H new ATOM 0 HA THR A 61 14.340 21.341 -0.192 1.00 0.00 H new ATOM 0 HB THR A 61 13.956 21.382 2.303 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.715 21.222 2.960 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.351 23.322 2.162 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.551 23.375 0.849 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.898 22.802 0.521 1.00 0.00 H new ATOM 910 N SER A 62 15.565 19.536 1.228 1.00 0.00 N ATOM 911 CA SER A 62 16.417 18.435 1.642 1.00 0.00 C ATOM 912 C SER A 62 16.142 18.035 3.095 1.00 0.00 C ATOM 913 O SER A 62 15.549 18.800 3.863 1.00 0.00 O ATOM 914 CB SER A 62 17.868 18.841 1.377 1.00 0.00 C ATOM 915 OG SER A 62 18.142 20.170 1.777 1.00 0.00 O ATOM 0 H SER A 62 15.961 20.450 1.446 1.00 0.00 H new ATOM 0 HA SER A 62 16.202 17.536 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.535 18.161 1.907 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.083 18.734 0.314 1.00 0.00 H new ATOM 0 HG SER A 62 19.107 20.335 1.725 1.00 0.00 H new ATOM 921 N ASP A 63 16.541 16.813 3.464 1.00 0.00 N ATOM 922 CA ASP A 63 16.171 16.193 4.739 1.00 0.00 C ATOM 923 C ASP A 63 17.230 15.151 5.128 1.00 0.00 C ATOM 924 O ASP A 63 17.713 14.444 4.237 1.00 0.00 O ATOM 925 CB ASP A 63 14.789 15.524 4.586 1.00 0.00 C ATOM 926 CG ASP A 63 13.872 15.842 5.774 1.00 0.00 C ATOM 927 OD1 ASP A 63 14.059 15.256 6.858 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.946 16.670 5.620 1.00 0.00 O ATOM 0 H ASP A 63 17.134 16.223 2.881 1.00 0.00 H new ATOM 0 HA ASP A 63 16.120 16.948 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.320 15.864 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.914 14.445 4.501 1.00 0.00 H new ATOM 933 N PRO A 64 17.649 15.043 6.403 1.00 0.00 N ATOM 934 CA PRO A 64 18.600 14.024 6.836 1.00 0.00 C ATOM 935 C PRO A 64 17.913 12.668 7.071 1.00 0.00 C ATOM 936 O PRO A 64 16.749 12.599 7.473 1.00 0.00 O ATOM 937 CB PRO A 64 19.196 14.571 8.137 1.00 0.00 C ATOM 938 CG PRO A 64 18.050 15.388 8.733 1.00 0.00 C ATOM 939 CD PRO A 64 17.353 15.958 7.498 1.00 0.00 C ATOM 0 HA PRO A 64 19.361 13.838 6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.508 13.768 8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.074 15.188 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.378 14.767 9.325 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.416 16.177 9.390 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.278 16.036 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.716 16.961 7.275 1.00 0.00 H new ATOM 947 N ILE A 65 18.685 11.586 6.914 1.00 0.00 N ATOM 948 CA ILE A 65 18.272 10.211 7.222 1.00 0.00 C ATOM 949 C ILE A 65 17.717 10.095 8.649 1.00 0.00 C ATOM 950 O ILE A 65 16.767 9.352 8.899 1.00 0.00 O ATOM 951 CB ILE A 65 19.454 9.255 6.957 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.979 7.793 7.044 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.674 9.506 7.870 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.974 6.848 6.376 1.00 0.00 C ATOM 0 H ILE A 65 19.640 11.644 6.560 1.00 0.00 H new ATOM 0 HA ILE A 65 17.451 9.922 6.566 1.00 0.00 H new ATOM 0 HB ILE A 65 19.805 9.462 5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.851 7.511 8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 65 18.004 7.696 6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.464 8.796 7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 65 21.039 10.522 7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.381 9.377 8.912 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.611 5.823 6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 65 20.081 7.116 5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.941 6.929 6.872 1.00 0.00 H new ATOM 966 N GLU A 66 18.292 10.876 9.569 1.00 0.00 N ATOM 967 CA GLU A 66 18.004 10.876 10.997 1.00 0.00 C ATOM 968 C GLU A 66 16.523 11.158 11.295 1.00 0.00 C ATOM 969 O GLU A 66 16.027 10.790 12.362 1.00 0.00 O ATOM 970 CB GLU A 66 18.886 11.934 11.689 1.00 0.00 C ATOM 971 CG GLU A 66 20.382 11.859 11.327 1.00 0.00 C ATOM 972 CD GLU A 66 21.230 12.741 12.262 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.367 13.958 12.005 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.784 12.222 13.259 1.00 0.00 O ATOM 0 H GLU A 66 19.007 11.559 9.319 1.00 0.00 H new ATOM 0 HA GLU A 66 18.226 9.881 11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.512 12.925 11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.781 11.826 12.769 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.722 10.825 11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.525 12.178 10.295 1.00 0.00 H new ATOM 981 N ASN A 67 15.817 11.820 10.370 1.00 0.00 N ATOM 982 CA ASN A 67 14.433 12.241 10.552 1.00 0.00 C ATOM 983 C ASN A 67 13.423 11.122 10.238 1.00 0.00 C ATOM 984 O ASN A 67 12.230 11.299 10.486 1.00 0.00 O ATOM 985 CB ASN A 67 14.186 13.481 9.681 1.00 0.00 C ATOM 986 CG ASN A 67 12.861 14.186 9.969 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.347 14.191 11.086 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.310 14.848 8.970 1.00 0.00 N ATOM 0 H ASN A 67 16.202 12.080 9.462 1.00 0.00 H new ATOM 0 HA ASN A 67 14.278 12.485 11.603 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.002 14.187 9.832 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.209 13.186 8.632 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.448 15.372 9.119 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.746 14.836 8.048 1.00 0.00 H new ATOM 995 N PHE A 68 13.860 9.966 9.717 1.00 0.00 N ATOM 996 CA PHE A 68 12.985 8.872 9.314 1.00 0.00 C ATOM 997 C PHE A 68 13.433 7.544 9.935 1.00 0.00 C ATOM 998 O PHE A 68 14.384 7.483 10.718 1.00 0.00 O ATOM 999 CB PHE A 68 12.961 8.801 7.782 1.00 0.00 C ATOM 1000 CG PHE A 68 12.329 10.005 7.120 1.00 0.00 C ATOM 1001 CD1 PHE A 68 13.111 11.124 6.781 1.00 0.00 C ATOM 1002 CD2 PHE A 68 10.947 10.007 6.858 1.00 0.00 C ATOM 1003 CE1 PHE A 68 12.504 12.251 6.202 1.00 0.00 C ATOM 1004 CE2 PHE A 68 10.338 11.144 6.297 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.117 12.271 5.975 1.00 0.00 C ATOM 0 H PHE A 68 14.849 9.769 9.564 1.00 0.00 H new ATOM 0 HA PHE A 68 11.975 9.059 9.679 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.983 8.693 7.418 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.418 7.906 7.478 1.00 0.00 H new ATOM 0 HD1 PHE A 68 14.175 11.117 6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.353 9.135 7.088 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.106 13.106 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.274 11.152 6.114 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.650 13.149 5.554 1.00 0.00 H new ATOM 1015 N ASN A 69 12.725 6.474 9.567 1.00 0.00 N ATOM 1016 CA ASN A 69 12.922 5.104 10.018 1.00 0.00 C ATOM 1017 C ASN A 69 12.841 4.183 8.805 1.00 0.00 C ATOM 1018 O ASN A 69 11.903 4.269 8.011 1.00 0.00 O ATOM 1019 CB ASN A 69 11.875 4.692 11.078 1.00 0.00 C ATOM 1020 CG ASN A 69 10.453 5.229 10.878 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.812 5.661 11.832 1.00 0.00 O ATOM 1022 ND2 ASN A 69 9.926 5.246 9.664 1.00 0.00 N ATOM 0 H ASN A 69 11.953 6.551 8.905 1.00 0.00 H new ATOM 0 HA ASN A 69 13.900 5.024 10.492 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.828 3.603 11.106 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.230 5.021 12.055 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.987 5.618 9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.459 4.887 8.872 1.00 0.00 H new ATOM 1029 N ALA A 70 13.807 3.276 8.695 1.00 0.00 N ATOM 1030 CA ALA A 70 13.950 2.346 7.582 1.00 0.00 C ATOM 1031 C ALA A 70 12.744 1.428 7.424 1.00 0.00 C ATOM 1032 O ALA A 70 12.437 1.024 6.307 1.00 0.00 O ATOM 1033 CB ALA A 70 15.203 1.490 7.805 1.00 0.00 C ATOM 0 H ALA A 70 14.535 3.165 9.401 1.00 0.00 H new ATOM 0 HA ALA A 70 14.032 2.937 6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.318 0.791 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.080 2.135 7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.103 0.935 8.737 1.00 0.00 H new ATOM 1039 N ASP A 71 12.058 1.111 8.526 1.00 0.00 N ATOM 1040 CA ASP A 71 10.952 0.155 8.556 1.00 0.00 C ATOM 1041 C ASP A 71 9.781 0.585 7.666 1.00 0.00 C ATOM 1042 O ASP A 71 8.974 -0.251 7.258 1.00 0.00 O ATOM 1043 CB ASP A 71 10.478 -0.021 10.004 1.00 0.00 C ATOM 1044 CG ASP A 71 9.324 -1.032 10.114 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.558 -2.247 9.920 1.00 0.00 O ATOM 1046 OD2 ASP A 71 8.189 -0.627 10.451 1.00 0.00 O ATOM 0 H ASP A 71 12.261 1.520 9.438 1.00 0.00 H new ATOM 0 HA ASP A 71 11.318 -0.792 8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.313 -0.355 10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.155 0.942 10.399 1.00 0.00 H new ATOM 1051 N ASP A 72 9.687 1.880 7.345 1.00 0.00 N ATOM 1052 CA ASP A 72 8.606 2.426 6.549 1.00 0.00 C ATOM 1053 C ASP A 72 8.912 2.297 5.059 1.00 0.00 C ATOM 1054 O ASP A 72 7.998 2.408 4.249 1.00 0.00 O ATOM 1055 CB ASP A 72 8.356 3.886 6.944 1.00 0.00 C ATOM 1056 CG ASP A 72 7.084 4.463 6.305 1.00 0.00 C ATOM 1057 OD1 ASP A 72 6.002 3.845 6.421 1.00 0.00 O ATOM 1058 OD2 ASP A 72 7.131 5.588 5.760 1.00 0.00 O ATOM 0 H ASP A 72 10.371 2.577 7.638 1.00 0.00 H new ATOM 0 HA ASP A 72 7.698 1.856 6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.277 3.956 8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.213 4.490 6.647 1.00 0.00 H new ATOM 1063 N TYR A 73 10.167 2.027 4.680 1.00 0.00 N ATOM 1064 CA TYR A 73 10.634 2.032 3.313 1.00 0.00 C ATOM 1065 C TYR A 73 10.880 0.600 2.860 1.00 0.00 C ATOM 1066 O TYR A 73 11.650 -0.133 3.478 1.00 0.00 O ATOM 1067 CB TYR A 73 11.865 2.937 3.199 1.00 0.00 C ATOM 1068 CG TYR A 73 11.519 4.387 3.488 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.918 5.167 2.484 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.724 4.935 4.770 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.499 6.476 2.764 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.340 6.258 5.057 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.701 7.026 4.051 1.00 0.00 C ATOM 1074 OH TYR A 73 10.288 8.293 4.314 1.00 0.00 O ATOM 0 H TYR A 73 10.900 1.793 5.349 1.00 0.00 H new ATOM 0 HA TYR A 73 9.883 2.446 2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.632 2.599 3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.286 2.855 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.779 4.757 1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.181 4.333 5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.021 7.065 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.530 6.683 6.032 1.00 0.00 H new ATOM 0 HH TYR A 73 10.656 8.585 5.174 1.00 0.00 H new ATOM 1084 N ASP A 74 10.203 0.184 1.788 1.00 0.00 N ATOM 1085 CA ASP A 74 10.385 -1.143 1.220 1.00 0.00 C ATOM 1086 C ASP A 74 11.734 -1.257 0.515 1.00 0.00 C ATOM 1087 O ASP A 74 12.400 -2.288 0.605 1.00 0.00 O ATOM 1088 CB ASP A 74 9.290 -1.429 0.198 1.00 0.00 C ATOM 1089 CG ASP A 74 9.503 -2.824 -0.395 1.00 0.00 C ATOM 1090 OD1 ASP A 74 9.090 -3.801 0.268 1.00 0.00 O ATOM 1091 OD2 ASP A 74 9.970 -2.930 -1.548 1.00 0.00 O ATOM 0 H ASP A 74 9.518 0.757 1.295 1.00 0.00 H new ATOM 0 HA ASP A 74 10.340 -1.861 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.310 -1.368 0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.309 -0.679 -0.592 1.00 0.00 H new ATOM 1096 N VAL A 75 12.145 -0.186 -0.168 1.00 0.00 N ATOM 1097 CA VAL A 75 13.307 -0.206 -1.044 1.00 0.00 C ATOM 1098 C VAL A 75 14.189 0.989 -0.728 1.00 0.00 C ATOM 1099 O VAL A 75 13.693 2.109 -0.607 1.00 0.00 O ATOM 1100 CB VAL A 75 12.861 -0.334 -2.521 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.630 0.454 -2.979 1.00 0.00 C ATOM 1102 CG2 VAL A 75 14.011 -0.063 -3.506 1.00 0.00 C ATOM 0 H VAL A 75 11.677 0.719 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 75 13.926 -1.085 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 75 12.548 -1.378 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.446 0.260 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.762 0.144 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.804 1.520 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.646 -0.165 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 75 14.389 0.948 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.814 -0.780 -3.334 1.00 0.00 H new ATOM 1112 N VAL A 76 15.494 0.748 -0.597 1.00 0.00 N ATOM 1113 CA VAL A 76 16.461 1.784 -0.246 1.00 0.00 C ATOM 1114 C VAL A 76 17.542 1.819 -1.323 1.00 0.00 C ATOM 1115 O VAL A 76 18.221 0.833 -1.612 1.00 0.00 O ATOM 1116 CB VAL A 76 17.023 1.555 1.172 1.00 0.00 C ATOM 1117 CG1 VAL A 76 18.091 2.584 1.570 1.00 0.00 C ATOM 1118 CG2 VAL A 76 15.914 1.529 2.241 1.00 0.00 C ATOM 0 H VAL A 76 15.909 -0.174 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 76 15.981 2.762 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 76 17.498 0.575 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 76 18.446 2.368 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.926 2.530 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.660 3.585 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 76 16.359 1.365 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.383 2.481 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.215 0.723 2.020 1.00 0.00 H new ATOM 1128 N ILE A 77 17.704 2.994 -1.913 1.00 0.00 N ATOM 1129 CA ILE A 77 18.660 3.266 -2.955 1.00 0.00 C ATOM 1130 C ILE A 77 19.663 4.228 -2.365 1.00 0.00 C ATOM 1131 O ILE A 77 19.414 5.428 -2.263 1.00 0.00 O ATOM 1132 CB ILE A 77 17.944 3.829 -4.195 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.942 2.827 -4.803 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.959 4.287 -5.249 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.527 1.450 -5.138 1.00 0.00 C ATOM 0 H ILE A 77 17.147 3.811 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 77 19.173 2.367 -3.296 1.00 0.00 H new ATOM 0 HB ILE A 77 17.369 4.693 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 77 16.115 2.694 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.525 3.259 -5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.430 4.681 -6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.595 5.065 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.575 3.441 -5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.747 0.816 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.333 1.564 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.917 0.990 -4.230 1.00 0.00 H new ATOM 1147 N SER A 78 20.776 3.692 -1.901 1.00 0.00 N ATOM 1148 CA SER A 78 21.873 4.567 -1.568 1.00 0.00 C ATOM 1149 C SER A 78 22.455 5.062 -2.896 1.00 0.00 C ATOM 1150 O SER A 78 22.262 4.471 -3.964 1.00 0.00 O ATOM 1151 CB SER A 78 22.908 3.867 -0.701 1.00 0.00 C ATOM 1152 OG SER A 78 22.380 3.707 0.598 1.00 0.00 O ATOM 0 H SER A 78 20.938 2.696 -1.752 1.00 0.00 H new ATOM 0 HA SER A 78 21.533 5.412 -0.969 1.00 0.00 H new ATOM 0 HB2 SER A 78 23.163 2.897 -1.127 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.828 4.451 -0.665 1.00 0.00 H new ATOM 0 HG SER A 78 23.039 3.255 1.165 1.00 0.00 H new ATOM 1158 N LEU A 79 23.118 6.203 -2.839 1.00 0.00 N ATOM 1159 CA LEU A 79 23.818 6.848 -3.931 1.00 0.00 C ATOM 1160 C LEU A 79 24.878 7.705 -3.246 1.00 0.00 C ATOM 1161 O LEU A 79 24.912 8.929 -3.366 1.00 0.00 O ATOM 1162 CB LEU A 79 22.878 7.573 -4.935 1.00 0.00 C ATOM 1163 CG LEU A 79 21.373 7.731 -4.600 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.173 8.923 -3.685 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.533 7.931 -5.868 1.00 0.00 C ATOM 0 H LEU A 79 23.185 6.736 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 79 24.296 6.140 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.282 8.572 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.946 7.044 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 79 21.046 6.816 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.113 9.030 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.733 8.772 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.528 9.826 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.483 8.038 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.867 8.829 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.652 7.068 -6.523 1.00 0.00 H new ATOM 1177 N CYS A 80 25.684 7.050 -2.406 1.00 0.00 N ATOM 1178 CA CYS A 80 26.806 7.660 -1.705 1.00 0.00 C ATOM 1179 C CYS A 80 28.031 7.697 -2.621 1.00 0.00 C ATOM 1180 O CYS A 80 28.781 8.674 -2.596 1.00 0.00 O ATOM 1181 CB CYS A 80 27.099 6.861 -0.430 1.00 0.00 C ATOM 1182 SG CYS A 80 25.673 6.924 0.698 1.00 0.00 S ATOM 0 H CYS A 80 25.568 6.059 -2.193 1.00 0.00 H new ATOM 0 HA CYS A 80 26.558 8.684 -1.427 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.323 5.825 -0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 80 27.981 7.265 0.066 1.00 0.00 H new ATOM 0 HG CYS A 80 25.938 6.240 1.771 1.00 0.00 H new ATOM 1290 N GLU A 89 19.586 -0.135 9.622 1.00 0.00 N ATOM 1291 CA GLU A 89 18.511 -0.963 9.068 1.00 0.00 C ATOM 1292 C GLU A 89 18.121 -0.607 7.632 1.00 0.00 C ATOM 1293 O GLU A 89 17.453 -1.381 6.946 1.00 0.00 O ATOM 1294 CB GLU A 89 17.254 -0.800 9.942 1.00 0.00 C ATOM 1295 CG GLU A 89 17.286 -1.492 11.309 1.00 0.00 C ATOM 1296 CD GLU A 89 18.359 -0.981 12.292 1.00 0.00 C ATOM 1297 OE1 GLU A 89 18.686 0.227 12.286 1.00 0.00 O ATOM 1298 OE2 GLU A 89 18.878 -1.793 13.092 1.00 0.00 O ATOM 0 HA GLU A 89 18.893 -1.984 9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.083 0.265 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.398 -1.181 9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.308 -1.378 11.776 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.442 -2.559 11.152 1.00 0.00 H new ATOM 1305 N TRP A 90 18.512 0.570 7.157 1.00 0.00 N ATOM 1306 CA TRP A 90 18.310 0.997 5.790 1.00 0.00 C ATOM 1307 C TRP A 90 18.944 0.030 4.788 1.00 0.00 C ATOM 1308 O TRP A 90 18.465 -0.055 3.660 1.00 0.00 O ATOM 1309 CB TRP A 90 18.868 2.412 5.656 1.00 0.00 C ATOM 1310 CG TRP A 90 18.190 3.415 6.536 1.00 0.00 C ATOM 1311 CD1 TRP A 90 18.527 3.723 7.805 1.00 0.00 C ATOM 1312 CD2 TRP A 90 17.004 4.208 6.256 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.711 4.713 8.293 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.728 5.041 7.383 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.118 4.276 5.164 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.649 5.935 7.400 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.013 5.140 5.189 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.785 5.976 6.294 1.00 0.00 C ATOM 0 H TRP A 90 18.989 1.266 7.731 1.00 0.00 H new ATOM 0 HA TRP A 90 17.246 0.998 5.556 1.00 0.00 H new ATOM 0 HB2 TRP A 90 19.932 2.397 5.891 1.00 0.00 H new ATOM 0 HB3 TRP A 90 18.776 2.732 4.618 1.00 0.00 H new ATOM 0 HD1 TRP A 90 19.327 3.256 8.360 1.00 0.00 H new ATOM 0 HE1 TRP A 90 17.818 5.149 9.209 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.291 3.656 4.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.485 6.581 8.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.332 5.162 4.351 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.943 6.652 6.293 1.00 0.00 H new ATOM 1329 N VAL A 91 19.972 -0.739 5.169 1.00 0.00 N ATOM 1330 CA VAL A 91 20.609 -1.660 4.242 1.00 0.00 C ATOM 1331 C VAL A 91 19.883 -3.016 4.244 1.00 0.00 C ATOM 1332 O VAL A 91 20.138 -3.844 3.369 1.00 0.00 O ATOM 1333 CB VAL A 91 22.127 -1.729 4.535 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.486 -2.496 5.817 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.928 -2.323 3.368 1.00 0.00 C ATOM 0 H VAL A 91 20.372 -0.736 6.107 1.00 0.00 H new ATOM 0 HA VAL A 91 20.522 -1.298 3.218 1.00 0.00 H new ATOM 0 HB VAL A 91 22.407 -0.685 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.568 -2.498 5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.017 -2.013 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.128 -3.523 5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.986 -2.347 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.580 -3.336 3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.787 -1.708 2.479 1.00 0.00 H new ATOM 1345 N THR A 92 18.954 -3.251 5.182 1.00 0.00 N ATOM 1346 CA THR A 92 18.352 -4.558 5.422 1.00 0.00 C ATOM 1347 C THR A 92 16.856 -4.591 5.072 1.00 0.00 C ATOM 1348 O THR A 92 16.113 -5.459 5.536 1.00 0.00 O ATOM 1349 CB THR A 92 18.684 -5.028 6.855 1.00 0.00 C ATOM 1350 OG1 THR A 92 18.280 -4.084 7.826 1.00 0.00 O ATOM 1351 CG2 THR A 92 20.189 -5.229 7.061 1.00 0.00 C ATOM 0 H THR A 92 18.599 -2.523 5.802 1.00 0.00 H new ATOM 0 HA THR A 92 18.793 -5.284 4.739 1.00 0.00 H new ATOM 0 HB THR A 92 18.146 -5.968 6.974 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.890 -3.303 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 92 20.375 -5.560 8.083 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.554 -5.983 6.363 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.709 -4.288 6.883 1.00 0.00 H new ATOM 1359 N GLN A 93 16.412 -3.638 4.251 1.00 0.00 N ATOM 1360 CA GLN A 93 15.067 -3.621 3.686 1.00 0.00 C ATOM 1361 C GLN A 93 15.009 -4.547 2.461 1.00 0.00 C ATOM 1362 O GLN A 93 16.019 -5.134 2.063 1.00 0.00 O ATOM 1363 CB GLN A 93 14.639 -2.173 3.380 1.00 0.00 C ATOM 1364 CG GLN A 93 14.699 -1.256 4.617 1.00 0.00 C ATOM 1365 CD GLN A 93 13.985 -1.847 5.843 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.825 -2.251 5.794 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.680 -1.971 6.963 1.00 0.00 N ATOM 0 H GLN A 93 16.986 -2.847 3.958 1.00 0.00 H new ATOM 0 HA GLN A 93 14.348 -4.007 4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.283 -1.766 2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.623 -2.176 2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.742 -1.064 4.869 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.249 -0.294 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.643 -1.636 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.253 -2.401 7.783 1.00 0.00 H new ATOM 1376 N GLU A 94 13.816 -4.709 1.881 1.00 0.00 N ATOM 1377 CA GLU A 94 13.517 -5.694 0.854 1.00 0.00 C ATOM 1378 C GLU A 94 14.398 -5.569 -0.388 1.00 0.00 C ATOM 1379 O GLU A 94 14.740 -6.584 -1.000 1.00 0.00 O ATOM 1380 CB GLU A 94 12.022 -5.603 0.502 1.00 0.00 C ATOM 1381 CG GLU A 94 11.494 -6.988 0.128 1.00 0.00 C ATOM 1382 CD GLU A 94 9.970 -7.028 -0.104 1.00 0.00 C ATOM 1383 OE1 GLU A 94 9.212 -7.264 0.865 1.00 0.00 O ATOM 1384 OE2 GLU A 94 9.513 -6.906 -1.264 1.00 0.00 O ATOM 0 H GLU A 94 13.009 -4.135 2.126 1.00 0.00 H new ATOM 0 HA GLU A 94 13.745 -6.680 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.463 -5.207 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.876 -4.911 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.999 -7.328 -0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.751 -7.691 0.920 1.00 0.00 H new ATOM 1391 N ILE A 95 14.804 -4.347 -0.736 1.00 0.00 N ATOM 1392 CA ILE A 95 15.680 -4.068 -1.866 1.00 0.00 C ATOM 1393 C ILE A 95 16.723 -3.067 -1.363 1.00 0.00 C ATOM 1394 O ILE A 95 16.370 -2.114 -0.659 1.00 0.00 O ATOM 1395 CB ILE A 95 14.845 -3.535 -3.039 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.855 -4.631 -3.502 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.747 -3.053 -4.199 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.153 -4.335 -4.822 1.00 0.00 C ATOM 0 H ILE A 95 14.525 -3.508 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 95 16.189 -4.957 -2.239 1.00 0.00 H new ATOM 0 HB ILE A 95 14.276 -2.667 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.395 -5.573 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.101 -4.771 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.125 -2.682 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.398 -2.253 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.355 -3.884 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.479 -5.156 -5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.582 -3.411 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.895 -4.226 -5.613 1.00 0.00 H new ATOM 1410 N PHE A 96 17.983 -3.255 -1.765 1.00 0.00 N ATOM 1411 CA PHE A 96 19.062 -2.326 -1.521 1.00 0.00 C ATOM 1412 C PHE A 96 19.961 -2.293 -2.754 1.00 0.00 C ATOM 1413 O PHE A 96 20.286 -3.344 -3.313 1.00 0.00 O ATOM 1414 CB PHE A 96 19.888 -2.716 -0.284 1.00 0.00 C ATOM 1415 CG PHE A 96 21.064 -1.771 -0.104 1.00 0.00 C ATOM 1416 CD1 PHE A 96 20.868 -0.537 0.542 1.00 0.00 C ATOM 1417 CD2 PHE A 96 22.293 -2.035 -0.749 1.00 0.00 C ATOM 1418 CE1 PHE A 96 21.891 0.423 0.541 1.00 0.00 C ATOM 1419 CE2 PHE A 96 23.296 -1.051 -0.792 1.00 0.00 C ATOM 1420 CZ PHE A 96 23.099 0.173 -0.132 1.00 0.00 C ATOM 0 H PHE A 96 18.277 -4.084 -2.282 1.00 0.00 H new ATOM 0 HA PHE A 96 18.635 -1.342 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.256 -2.692 0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.250 -3.739 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 96 19.931 -0.329 1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 96 22.463 -2.996 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.749 1.359 1.060 1.00 0.00 H new ATOM 0 HE2 PHE A 96 24.214 -1.235 -1.330 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.876 0.923 -0.142 1.00 0.00 H new ATOM 1430 N GLU A 97 20.387 -1.094 -3.138 1.00 0.00 N ATOM 1431 CA GLU A 97 21.425 -0.835 -4.125 1.00 0.00 C ATOM 1432 C GLU A 97 22.160 0.435 -3.694 1.00 0.00 C ATOM 1433 O GLU A 97 21.599 1.263 -2.978 1.00 0.00 O ATOM 1434 CB GLU A 97 20.838 -0.595 -5.525 1.00 0.00 C ATOM 1435 CG GLU A 97 20.457 -1.881 -6.256 1.00 0.00 C ATOM 1436 CD GLU A 97 20.048 -1.616 -7.717 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.270 -0.672 -7.982 1.00 0.00 O ATOM 1438 OE2 GLU A 97 20.500 -2.367 -8.613 1.00 0.00 O ATOM 0 H GLU A 97 19.997 -0.235 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 97 22.084 -1.702 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.955 0.038 -5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.564 -0.047 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.299 -2.573 -6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.634 -2.366 -5.731 1.00 0.00 H new ATOM 1445 N ASP A 98 23.386 0.604 -4.187 1.00 0.00 N ATOM 1446 CA ASP A 98 24.165 1.838 -4.094 1.00 0.00 C ATOM 1447 C ASP A 98 24.511 2.287 -5.512 1.00 0.00 C ATOM 1448 O ASP A 98 25.366 1.688 -6.169 1.00 0.00 O ATOM 1449 CB ASP A 98 25.423 1.752 -3.221 1.00 0.00 C ATOM 1450 CG ASP A 98 26.162 3.110 -3.259 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.588 4.129 -2.808 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.305 3.163 -3.767 1.00 0.00 O ATOM 0 H ASP A 98 23.881 -0.140 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 98 23.542 2.572 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.152 1.500 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 98 26.077 0.958 -3.582 1.00 0.00 H new ATOM 1457 N TRP A 99 23.778 3.274 -6.026 1.00 0.00 N ATOM 1458 CA TRP A 99 23.953 3.822 -7.364 1.00 0.00 C ATOM 1459 C TRP A 99 25.193 4.712 -7.377 1.00 0.00 C ATOM 1460 O TRP A 99 25.140 5.886 -7.002 1.00 0.00 O ATOM 1461 CB TRP A 99 22.688 4.568 -7.812 1.00 0.00 C ATOM 1462 CG TRP A 99 21.427 3.761 -7.977 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.249 2.432 -7.780 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.114 4.269 -8.348 1.00 0.00 C ATOM 1465 NE1 TRP A 99 19.933 2.089 -8.021 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.167 3.198 -8.310 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.638 5.555 -8.675 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.795 3.410 -8.543 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.274 5.779 -8.910 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.364 4.713 -8.837 1.00 0.00 C ATOM 0 H TRP A 99 23.026 3.725 -5.506 1.00 0.00 H new ATOM 0 HA TRP A 99 24.106 3.017 -8.083 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.489 5.358 -7.088 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.903 5.054 -8.764 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.023 1.742 -7.479 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.573 1.135 -7.989 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.333 6.379 -8.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.092 2.591 -8.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.923 6.773 -9.147 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.314 4.898 -9.010 1.00 0.00 H new ATOM 1481 N GLN A 100 26.322 4.138 -7.797 1.00 0.00 N ATOM 1482 CA GLN A 100 27.541 4.879 -8.074 1.00 0.00 C ATOM 1483 C GLN A 100 27.226 5.896 -9.179 1.00 0.00 C ATOM 1484 O GLN A 100 26.810 5.517 -10.277 1.00 0.00 O ATOM 1485 CB GLN A 100 28.651 3.883 -8.447 1.00 0.00 C ATOM 1486 CG GLN A 100 30.045 4.526 -8.432 1.00 0.00 C ATOM 1487 CD GLN A 100 31.146 3.501 -8.716 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.830 3.562 -9.735 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.344 2.533 -7.832 1.00 0.00 N ATOM 0 H GLN A 100 26.410 3.134 -7.954 1.00 0.00 H new ATOM 0 HA GLN A 100 27.902 5.434 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.633 3.045 -7.750 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.452 3.477 -9.439 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.087 5.321 -9.177 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.221 4.989 -7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.773 2.488 -6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.068 1.833 -7.996 1.00 0.00 H new ATOM 1498 N LEU A 101 27.377 7.184 -8.868 1.00 0.00 N ATOM 1499 CA LEU A 101 26.940 8.316 -9.679 1.00 0.00 C ATOM 1500 C LEU A 101 27.845 9.493 -9.335 1.00 0.00 C ATOM 1501 O LEU A 101 28.232 9.645 -8.172 1.00 0.00 O ATOM 1502 CB LEU A 101 25.503 8.710 -9.295 1.00 0.00 C ATOM 1503 CG LEU A 101 24.363 7.836 -9.855 1.00 0.00 C ATOM 1504 CD1 LEU A 101 23.071 8.215 -9.131 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.195 7.964 -11.370 1.00 0.00 C ATOM 0 H LEU A 101 27.829 7.478 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 101 26.982 8.057 -10.737 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.430 8.706 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.335 9.736 -9.622 1.00 0.00 H new ATOM 0 HG LEU A 101 24.614 6.790 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.249 7.608 -9.512 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.188 8.038 -8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 101 22.853 9.269 -9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.377 7.324 -11.701 1.00 0.00 H new ATOM 0 HD22 LEU A 101 23.971 9.000 -11.625 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.117 7.659 -11.865 1.00 0.00 H new ATOM 1517 N GLU A 102 28.129 10.342 -10.320 1.00 0.00 N ATOM 1518 CA GLU A 102 29.081 11.438 -10.235 1.00 0.00 C ATOM 1519 C GLU A 102 28.439 12.669 -9.613 1.00 0.00 C ATOM 1520 O GLU A 102 28.130 13.631 -10.312 1.00 0.00 O ATOM 1521 CB GLU A 102 29.736 11.712 -11.604 1.00 0.00 C ATOM 1522 CG GLU A 102 30.633 10.548 -12.046 1.00 0.00 C ATOM 1523 CD GLU A 102 31.369 10.864 -13.360 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.839 10.556 -14.452 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.502 11.396 -13.316 1.00 0.00 O ATOM 0 H GLU A 102 27.682 10.279 -11.235 1.00 0.00 H new ATOM 0 HA GLU A 102 29.892 11.148 -9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 102 28.961 11.878 -12.352 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.327 12.626 -11.548 1.00 0.00 H new ATOM 0 HG2 GLU A 102 31.361 10.332 -11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.028 9.651 -12.175 1.00 0.00 H new ATOM 1532 N ASP A 103 28.217 12.580 -8.297 1.00 0.00 N ATOM 1533 CA ASP A 103 27.579 13.566 -7.421 1.00 0.00 C ATOM 1534 C ASP A 103 27.652 14.999 -7.973 1.00 0.00 C ATOM 1535 O ASP A 103 28.716 15.626 -7.909 1.00 0.00 O ATOM 1536 CB ASP A 103 28.195 13.512 -6.027 1.00 0.00 C ATOM 1537 CG ASP A 103 27.333 14.268 -5.004 1.00 0.00 C ATOM 1538 OD1 ASP A 103 26.731 15.311 -5.341 1.00 0.00 O ATOM 1539 OD2 ASP A 103 27.247 13.778 -3.853 1.00 0.00 O ATOM 0 H ASP A 103 28.502 11.750 -7.777 1.00 0.00 H new ATOM 0 HA ASP A 103 26.523 13.300 -7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.305 12.473 -5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.195 13.944 -6.052 1.00 0.00 H new ATOM 1544 N PRO A 104 26.554 15.490 -8.571 1.00 0.00 N ATOM 1545 CA PRO A 104 26.505 16.761 -9.274 1.00 0.00 C ATOM 1546 C PRO A 104 26.815 18.020 -8.455 1.00 0.00 C ATOM 1547 O PRO A 104 26.855 19.102 -9.035 1.00 0.00 O ATOM 1548 CB PRO A 104 25.132 16.831 -9.925 1.00 0.00 C ATOM 1549 CG PRO A 104 24.749 15.372 -10.106 1.00 0.00 C ATOM 1550 CD PRO A 104 25.415 14.669 -8.934 1.00 0.00 C ATOM 0 HA PRO A 104 27.321 16.770 -9.996 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.416 17.359 -9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.167 17.358 -10.879 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.667 15.238 -10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.104 14.981 -11.060 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.725 14.567 -8.097 1.00 0.00 H new ATOM 0 HD3 PRO A 104 25.731 13.663 -9.211 1.00 0.00 H new ATOM 1558 N ASP A 105 27.061 17.927 -7.147 1.00 0.00 N ATOM 1559 CA ASP A 105 27.480 19.063 -6.321 1.00 0.00 C ATOM 1560 C ASP A 105 28.698 19.794 -6.914 1.00 0.00 C ATOM 1561 O ASP A 105 29.842 19.347 -6.805 1.00 0.00 O ATOM 1562 CB ASP A 105 27.742 18.610 -4.882 1.00 0.00 C ATOM 1563 CG ASP A 105 28.209 19.768 -3.984 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.340 20.477 -3.427 1.00 0.00 O ATOM 1565 OD2 ASP A 105 29.431 19.944 -3.779 1.00 0.00 O ATOM 0 H ASP A 105 26.975 17.054 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 105 26.662 19.784 -6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.832 18.176 -4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.498 17.825 -4.882 1.00 0.00 H new ATOM 1570 N GLY A 106 28.424 20.919 -7.578 1.00 0.00 N ATOM 1571 CA GLY A 106 29.394 21.884 -8.079 1.00 0.00 C ATOM 1572 C GLY A 106 29.984 21.508 -9.441 1.00 0.00 C ATOM 1573 O GLY A 106 31.070 21.988 -9.773 1.00 0.00 O ATOM 0 H GLY A 106 27.465 21.192 -7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 106 28.916 22.861 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.204 21.982 -7.356 1.00 0.00 H new ATOM 1577 N GLN A 107 29.317 20.644 -10.215 1.00 0.00 N ATOM 1578 CA GLN A 107 29.901 20.053 -11.420 1.00 0.00 C ATOM 1579 C GLN A 107 29.501 20.789 -12.704 1.00 0.00 C ATOM 1580 O GLN A 107 28.743 21.763 -12.686 1.00 0.00 O ATOM 1581 CB GLN A 107 29.509 18.572 -11.518 1.00 0.00 C ATOM 1582 CG GLN A 107 29.692 17.766 -10.231 1.00 0.00 C ATOM 1583 CD GLN A 107 31.123 17.467 -9.794 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.106 18.014 -10.290 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.250 16.546 -8.855 1.00 0.00 N ATOM 0 H GLN A 107 28.363 20.338 -10.024 1.00 0.00 H new ATOM 0 HA GLN A 107 30.983 20.149 -11.328 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.464 18.508 -11.823 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.100 18.107 -12.307 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.197 18.304 -9.422 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.169 16.817 -10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.420 16.105 -8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.178 16.276 -8.528 1.00 0.00 H new ATOM 1594 N SER A 108 30.023 20.295 -13.827 1.00 0.00 N ATOM 1595 CA SER A 108 29.729 20.763 -15.172 1.00 0.00 C ATOM 1596 C SER A 108 28.357 20.246 -15.615 1.00 0.00 C ATOM 1597 O SER A 108 27.925 19.182 -15.163 1.00 0.00 O ATOM 1598 CB SER A 108 30.819 20.206 -16.095 1.00 0.00 C ATOM 1599 OG SER A 108 32.107 20.620 -15.662 1.00 0.00 O ATOM 0 H SER A 108 30.691 19.524 -13.818 1.00 0.00 H new ATOM 0 HA SER A 108 29.710 21.852 -15.208 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.768 19.117 -16.110 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.647 20.547 -17.116 1.00 0.00 H new ATOM 0 HG SER A 108 32.788 20.253 -16.263 1.00 0.00 H new ATOM 1605 N LEU A 109 27.696 20.942 -16.548 1.00 0.00 N ATOM 1606 CA LEU A 109 26.373 20.542 -17.041 1.00 0.00 C ATOM 1607 C LEU A 109 26.402 19.144 -17.642 1.00 0.00 C ATOM 1608 O LEU A 109 25.410 18.430 -17.554 1.00 0.00 O ATOM 1609 CB LEU A 109 25.828 21.512 -18.100 1.00 0.00 C ATOM 1610 CG LEU A 109 25.533 22.930 -17.577 1.00 0.00 C ATOM 1611 CD1 LEU A 109 25.079 23.819 -18.740 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.458 22.946 -16.482 1.00 0.00 C ATOM 0 H LEU A 109 28.060 21.792 -16.979 1.00 0.00 H new ATOM 0 HA LEU A 109 25.716 20.559 -16.172 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.548 21.582 -18.915 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.912 21.095 -18.519 1.00 0.00 H new ATOM 0 HG LEU A 109 26.455 23.308 -17.136 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.870 24.823 -18.370 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.867 23.866 -19.491 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.176 23.401 -19.186 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.291 23.971 -16.151 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.529 22.537 -16.878 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.790 22.342 -15.638 1.00 0.00 H new ATOM 1624 N GLU A 110 27.523 18.741 -18.238 1.00 0.00 N ATOM 1625 CA GLU A 110 27.681 17.403 -18.793 1.00 0.00 C ATOM 1626 C GLU A 110 27.593 16.339 -17.690 1.00 0.00 C ATOM 1627 O GLU A 110 26.933 15.318 -17.878 1.00 0.00 O ATOM 1628 CB GLU A 110 29.010 17.347 -19.559 1.00 0.00 C ATOM 1629 CG GLU A 110 29.206 16.016 -20.297 1.00 0.00 C ATOM 1630 CD GLU A 110 30.495 16.023 -21.138 1.00 0.00 C ATOM 1631 OE1 GLU A 110 31.574 15.664 -20.614 1.00 0.00 O ATOM 1632 OE2 GLU A 110 30.442 16.370 -22.341 1.00 0.00 O ATOM 0 H GLU A 110 28.345 19.334 -18.348 1.00 0.00 H new ATOM 0 HA GLU A 110 26.870 17.185 -19.488 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.047 18.166 -20.277 1.00 0.00 H new ATOM 0 HB3 GLU A 110 29.834 17.497 -18.862 1.00 0.00 H new ATOM 0 HG2 GLU A 110 29.246 15.201 -19.575 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.349 15.828 -20.944 1.00 0.00 H new ATOM 1639 N VAL A 111 28.199 16.582 -16.522 1.00 0.00 N ATOM 1640 CA VAL A 111 28.128 15.667 -15.383 1.00 0.00 C ATOM 1641 C VAL A 111 26.682 15.614 -14.895 1.00 0.00 C ATOM 1642 O VAL A 111 26.134 14.525 -14.714 1.00 0.00 O ATOM 1643 CB VAL A 111 29.090 16.118 -14.270 1.00 0.00 C ATOM 1644 CG1 VAL A 111 28.993 15.221 -13.029 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.548 16.129 -14.760 1.00 0.00 C ATOM 0 H VAL A 111 28.752 17.420 -16.342 1.00 0.00 H new ATOM 0 HA VAL A 111 28.437 14.666 -15.682 1.00 0.00 H new ATOM 0 HB VAL A 111 28.788 17.130 -13.999 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.689 15.575 -12.269 1.00 0.00 H new ATOM 0 HG12 VAL A 111 27.977 15.254 -12.635 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.244 14.196 -13.301 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.202 16.452 -13.950 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.833 15.126 -15.078 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.644 16.817 -15.600 1.00 0.00 H new ATOM 1655 N PHE A 112 26.050 16.783 -14.744 1.00 0.00 N ATOM 1656 CA PHE A 112 24.654 16.892 -14.354 1.00 0.00 C ATOM 1657 C PHE A 112 23.765 16.082 -15.295 1.00 0.00 C ATOM 1658 O PHE A 112 23.012 15.235 -14.829 1.00 0.00 O ATOM 1659 CB PHE A 112 24.230 18.364 -14.355 1.00 0.00 C ATOM 1660 CG PHE A 112 24.385 19.076 -13.034 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.394 18.944 -12.040 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.519 19.872 -12.797 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.557 19.581 -10.800 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.689 20.490 -11.553 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.725 20.317 -10.551 1.00 0.00 C ATOM 0 H PHE A 112 26.504 17.684 -14.892 1.00 0.00 H new ATOM 0 HA PHE A 112 24.539 16.488 -13.348 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.815 18.894 -15.106 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.186 18.425 -14.663 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.510 18.353 -12.232 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.258 20.006 -13.573 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.790 19.505 -10.044 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.561 21.099 -11.366 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.883 20.755 -9.577 1.00 0.00 H new ATOM 1675 N ARG A 113 23.855 16.307 -16.609 1.00 0.00 N ATOM 1676 CA ARG A 113 23.063 15.601 -17.614 1.00 0.00 C ATOM 1677 C ARG A 113 23.314 14.103 -17.568 1.00 0.00 C ATOM 1678 O ARG A 113 22.346 13.345 -17.646 1.00 0.00 O ATOM 1679 CB ARG A 113 23.364 16.175 -19.013 1.00 0.00 C ATOM 1680 CG ARG A 113 22.461 17.379 -19.320 1.00 0.00 C ATOM 1681 CD ARG A 113 23.134 18.472 -20.145 1.00 0.00 C ATOM 1682 NE ARG A 113 22.159 19.508 -20.522 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.444 20.651 -21.158 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.700 20.963 -21.478 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.458 21.476 -21.474 1.00 0.00 N ATOM 0 H ARG A 113 24.492 16.997 -17.008 1.00 0.00 H new ATOM 0 HA ARG A 113 22.007 15.754 -17.392 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.410 16.477 -19.069 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.215 15.402 -19.767 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.577 17.029 -19.853 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.116 17.809 -18.380 1.00 0.00 H new ATOM 0 HD2 ARG A 113 23.946 18.920 -19.572 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.577 18.038 -21.041 1.00 0.00 H new ATOM 0 HE ARG A 113 21.183 19.341 -20.278 1.00 0.00 H new ATOM 0 HH11 ARG A 113 24.460 20.327 -21.238 1.00 0.00 H new ATOM 0 HH12 ARG A 113 23.901 21.838 -21.963 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.496 21.237 -21.233 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.660 22.350 -21.959 1.00 0.00 H new ATOM 1699 N THR A 114 24.567 13.670 -17.412 1.00 0.00 N ATOM 1700 CA THR A 114 24.900 12.266 -17.352 1.00 0.00 C ATOM 1701 C THR A 114 24.193 11.646 -16.145 1.00 0.00 C ATOM 1702 O THR A 114 23.414 10.707 -16.310 1.00 0.00 O ATOM 1703 CB THR A 114 26.432 12.145 -17.308 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.007 12.726 -18.462 1.00 0.00 O ATOM 1705 CG2 THR A 114 26.874 10.691 -17.254 1.00 0.00 C ATOM 0 H THR A 114 25.371 14.292 -17.325 1.00 0.00 H new ATOM 0 HA THR A 114 24.557 11.715 -18.228 1.00 0.00 H new ATOM 0 HB THR A 114 26.765 12.664 -16.409 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.178 13.677 -18.299 1.00 0.00 H new ATOM 0 HG21 THR A 114 27.963 10.642 -17.224 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.465 10.219 -16.361 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.512 10.168 -18.139 1.00 0.00 H new ATOM 1713 N VAL A 115 24.386 12.203 -14.947 1.00 0.00 N ATOM 1714 CA VAL A 115 23.781 11.667 -13.738 1.00 0.00 C ATOM 1715 C VAL A 115 22.259 11.740 -13.820 1.00 0.00 C ATOM 1716 O VAL A 115 21.603 10.761 -13.489 1.00 0.00 O ATOM 1717 CB VAL A 115 24.359 12.374 -12.505 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.586 12.099 -11.204 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.821 11.954 -12.310 1.00 0.00 C ATOM 0 H VAL A 115 24.962 13.031 -14.794 1.00 0.00 H new ATOM 0 HA VAL A 115 24.028 10.610 -13.640 1.00 0.00 H new ATOM 0 HB VAL A 115 24.272 13.442 -12.703 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.058 12.635 -10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.556 12.438 -11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.596 11.029 -10.994 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.230 12.457 -11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 115 25.873 10.875 -12.166 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.400 12.231 -13.191 1.00 0.00 H new ATOM 1729 N ARG A 116 21.682 12.846 -14.296 1.00 0.00 N ATOM 1730 CA ARG A 116 20.237 13.023 -14.385 1.00 0.00 C ATOM 1731 C ARG A 116 19.624 11.916 -15.235 1.00 0.00 C ATOM 1732 O ARG A 116 18.620 11.326 -14.837 1.00 0.00 O ATOM 1733 CB ARG A 116 19.964 14.441 -14.917 1.00 0.00 C ATOM 1734 CG ARG A 116 18.482 14.848 -14.933 1.00 0.00 C ATOM 1735 CD ARG A 116 17.627 14.603 -16.193 1.00 0.00 C ATOM 1736 NE ARG A 116 18.402 14.485 -17.444 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.855 15.493 -18.200 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.554 16.752 -17.908 1.00 0.00 N ATOM 1739 NH2 ARG A 116 19.624 15.240 -19.252 1.00 0.00 N ATOM 0 H ARG A 116 22.213 13.649 -14.633 1.00 0.00 H new ATOM 0 HA ARG A 116 19.760 12.937 -13.409 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.516 15.156 -14.307 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.358 14.516 -15.931 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.995 14.331 -14.106 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.437 15.915 -14.713 1.00 0.00 H new ATOM 0 HD2 ARG A 116 17.047 13.691 -16.052 1.00 0.00 H new ATOM 0 HD3 ARG A 116 16.914 15.421 -16.298 1.00 0.00 H new ATOM 0 HE ARG A 116 18.614 13.540 -17.765 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.970 16.962 -17.098 1.00 0.00 H new ATOM 0 HH12 ARG A 116 18.906 17.510 -18.493 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.870 14.278 -19.484 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.969 16.008 -19.828 1.00 0.00 H new ATOM 1753 N GLY A 117 20.254 11.596 -16.367 1.00 0.00 N ATOM 1754 CA GLY A 117 19.832 10.489 -17.207 1.00 0.00 C ATOM 1755 C GLY A 117 19.984 9.157 -16.480 1.00 0.00 C ATOM 1756 O GLY A 117 19.018 8.398 -16.417 1.00 0.00 O ATOM 0 H GLY A 117 21.068 12.099 -16.721 1.00 0.00 H new ATOM 0 HA2 GLY A 117 18.792 10.629 -17.502 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.424 10.477 -18.122 1.00 0.00 H new ATOM 1760 N GLN A 118 21.155 8.887 -15.891 1.00 0.00 N ATOM 1761 CA GLN A 118 21.455 7.623 -15.224 1.00 0.00 C ATOM 1762 C GLN A 118 20.453 7.347 -14.100 1.00 0.00 C ATOM 1763 O GLN A 118 19.861 6.269 -14.050 1.00 0.00 O ATOM 1764 CB GLN A 118 22.889 7.645 -14.663 1.00 0.00 C ATOM 1765 CG GLN A 118 23.976 7.534 -15.741 1.00 0.00 C ATOM 1766 CD GLN A 118 25.387 7.696 -15.166 1.00 0.00 C ATOM 1767 OE1 GLN A 118 25.664 8.597 -14.378 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.319 6.835 -15.544 1.00 0.00 N ATOM 0 H GLN A 118 21.928 9.552 -15.866 1.00 0.00 H new ATOM 0 HA GLN A 118 21.373 6.822 -15.959 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.037 8.569 -14.105 1.00 0.00 H new ATOM 0 HB3 GLN A 118 23.006 6.823 -13.956 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.897 6.565 -16.235 1.00 0.00 H new ATOM 0 HG3 GLN A 118 23.807 8.295 -16.503 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.088 6.087 -16.198 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.268 6.919 -15.181 1.00 0.00 H new ATOM 1777 N VAL A 119 20.270 8.327 -13.220 1.00 0.00 N ATOM 1778 CA VAL A 119 19.284 8.366 -12.149 1.00 0.00 C ATOM 1779 C VAL A 119 17.901 8.046 -12.704 1.00 0.00 C ATOM 1780 O VAL A 119 17.275 7.116 -12.206 1.00 0.00 O ATOM 1781 CB VAL A 119 19.311 9.749 -11.450 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.151 9.933 -10.467 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.597 9.939 -10.633 1.00 0.00 C ATOM 0 H VAL A 119 20.845 9.169 -13.239 1.00 0.00 H new ATOM 0 HA VAL A 119 19.529 7.611 -11.402 1.00 0.00 H new ATOM 0 HB VAL A 119 19.241 10.475 -12.260 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.218 10.918 -10.006 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.205 9.846 -11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.204 9.166 -9.694 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.584 10.919 -10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.660 9.164 -9.869 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.461 9.869 -11.293 1.00 0.00 H new ATOM 1793 N LYS A 120 17.412 8.778 -13.712 1.00 0.00 N ATOM 1794 CA LYS A 120 16.039 8.603 -14.186 1.00 0.00 C ATOM 1795 C LYS A 120 15.825 7.171 -14.660 1.00 0.00 C ATOM 1796 O LYS A 120 14.857 6.522 -14.271 1.00 0.00 O ATOM 1797 CB LYS A 120 15.736 9.635 -15.286 1.00 0.00 C ATOM 1798 CG LYS A 120 14.349 9.431 -15.913 1.00 0.00 C ATOM 1799 CD LYS A 120 14.047 10.525 -16.947 1.00 0.00 C ATOM 1800 CE LYS A 120 12.684 10.326 -17.629 1.00 0.00 C ATOM 1801 NZ LYS A 120 12.659 9.163 -18.553 1.00 0.00 N ATOM 0 H LYS A 120 17.944 9.491 -14.210 1.00 0.00 H new ATOM 0 HA LYS A 120 15.339 8.777 -13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 120 15.798 10.639 -14.866 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.497 9.567 -16.064 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.302 8.452 -16.390 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.588 9.443 -15.133 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.067 11.499 -16.458 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.831 10.532 -17.704 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.918 10.192 -16.865 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.427 11.229 -18.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 11.795 9.197 -19.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.492 9.195 -19.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.672 8.281 -18.002 1.00 0.00 H new ATOM 1815 N GLU A 121 16.760 6.667 -15.457 1.00 0.00 N ATOM 1816 CA GLU A 121 16.756 5.306 -15.966 1.00 0.00 C ATOM 1817 C GLU A 121 16.714 4.300 -14.811 1.00 0.00 C ATOM 1818 O GLU A 121 15.996 3.299 -14.865 1.00 0.00 O ATOM 1819 CB GLU A 121 18.006 5.156 -16.863 1.00 0.00 C ATOM 1820 CG GLU A 121 18.877 3.912 -16.661 1.00 0.00 C ATOM 1821 CD GLU A 121 19.973 3.799 -17.737 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.688 3.313 -18.855 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.137 4.169 -17.457 1.00 0.00 O ATOM 0 H GLU A 121 17.563 7.211 -15.774 1.00 0.00 H new ATOM 0 HA GLU A 121 15.866 5.098 -16.560 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.678 5.172 -17.902 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.634 6.034 -16.714 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.339 3.948 -15.674 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.250 3.021 -16.687 1.00 0.00 H new ATOM 1830 N ARG A 122 17.485 4.557 -13.757 1.00 0.00 N ATOM 1831 CA ARG A 122 17.569 3.659 -12.613 1.00 0.00 C ATOM 1832 C ARG A 122 16.286 3.712 -11.783 1.00 0.00 C ATOM 1833 O ARG A 122 15.807 2.648 -11.406 1.00 0.00 O ATOM 1834 CB ARG A 122 18.834 3.957 -11.800 1.00 0.00 C ATOM 1835 CG ARG A 122 20.094 3.410 -12.477 1.00 0.00 C ATOM 1836 CD ARG A 122 21.366 4.150 -12.028 1.00 0.00 C ATOM 1837 NE ARG A 122 22.567 3.673 -12.748 1.00 0.00 N ATOM 1838 CZ ARG A 122 22.795 3.762 -14.068 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.935 4.400 -14.854 1.00 0.00 N ATOM 1840 NH2 ARG A 122 23.878 3.206 -14.598 1.00 0.00 N ATOM 0 H ARG A 122 18.066 5.391 -13.674 1.00 0.00 H new ATOM 0 HA ARG A 122 17.656 2.630 -12.963 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.933 5.034 -11.666 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.738 3.520 -10.806 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.194 2.349 -12.250 1.00 0.00 H new ATOM 0 HG3 ARG A 122 19.989 3.496 -13.559 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.242 5.220 -12.198 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.507 4.012 -10.956 1.00 0.00 H new ATOM 0 HE ARG A 122 23.295 3.232 -12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 122 21.098 4.825 -14.455 1.00 0.00 H new ATOM 0 HH12 ARG A 122 22.112 4.465 -15.856 1.00 0.00 H new ATOM 0 HH21 ARG A 122 24.540 2.709 -14.002 1.00 0.00 H new ATOM 0 HH22 ARG A 122 24.048 3.276 -15.601 1.00 0.00 H new ATOM 1854 N VAL A 123 15.674 4.878 -11.547 1.00 0.00 N ATOM 1855 CA VAL A 123 14.347 4.976 -10.954 1.00 0.00 C ATOM 1856 C VAL A 123 13.352 4.139 -11.768 1.00 0.00 C ATOM 1857 O VAL A 123 12.596 3.370 -11.176 1.00 0.00 O ATOM 1858 CB VAL A 123 13.927 6.454 -10.852 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.502 6.584 -10.314 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.828 7.265 -9.907 1.00 0.00 C ATOM 0 H VAL A 123 16.093 5.782 -11.765 1.00 0.00 H new ATOM 0 HA VAL A 123 14.359 4.573 -9.941 1.00 0.00 H new ATOM 0 HB VAL A 123 14.009 6.845 -11.866 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.231 7.638 -10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.812 6.071 -10.984 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.445 6.136 -9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.484 8.299 -9.875 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.784 6.837 -8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.856 7.235 -10.269 1.00 0.00 H new ATOM 1870 N GLU A 124 13.356 4.235 -13.103 1.00 0.00 N ATOM 1871 CA GLU A 124 12.430 3.468 -13.932 1.00 0.00 C ATOM 1872 C GLU A 124 12.660 1.967 -13.759 1.00 0.00 C ATOM 1873 O GLU A 124 11.704 1.201 -13.638 1.00 0.00 O ATOM 1874 CB GLU A 124 12.538 3.861 -15.417 1.00 0.00 C ATOM 1875 CG GLU A 124 11.984 5.261 -15.708 1.00 0.00 C ATOM 1876 CD GLU A 124 12.016 5.608 -17.206 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.323 4.943 -18.009 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.707 6.581 -17.587 1.00 0.00 O ATOM 0 H GLU A 124 13.991 4.837 -13.628 1.00 0.00 H new ATOM 0 HA GLU A 124 11.420 3.706 -13.597 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.583 3.819 -15.723 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.999 3.130 -16.021 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.958 5.325 -15.346 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.564 6.000 -15.155 1.00 0.00 H new ATOM 1885 N ASN A 125 13.925 1.549 -13.690 1.00 0.00 N ATOM 1886 CA ASN A 125 14.287 0.160 -13.446 1.00 0.00 C ATOM 1887 C ASN A 125 13.790 -0.289 -12.081 1.00 0.00 C ATOM 1888 O ASN A 125 13.246 -1.384 -11.958 1.00 0.00 O ATOM 1889 CB ASN A 125 15.804 -0.067 -13.547 1.00 0.00 C ATOM 1890 CG ASN A 125 16.237 -0.377 -14.973 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.403 -1.535 -15.346 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.413 0.636 -15.801 1.00 0.00 N ATOM 0 H ASN A 125 14.727 2.170 -13.803 1.00 0.00 H new ATOM 0 HA ASN A 125 13.807 -0.437 -14.222 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.328 0.821 -13.193 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.092 -0.890 -12.893 1.00 0.00 H new ATOM 0 HD21 ASN A 125 16.691 0.463 -16.767 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.271 1.592 -15.475 1.00 0.00 H new ATOM 1899 N LEU A 126 13.969 0.541 -11.052 1.00 0.00 N ATOM 1900 CA LEU A 126 13.569 0.196 -9.697 1.00 0.00 C ATOM 1901 C LEU A 126 12.057 0.039 -9.631 1.00 0.00 C ATOM 1902 O LEU A 126 11.601 -0.992 -9.154 1.00 0.00 O ATOM 1903 CB LEU A 126 14.223 1.103 -8.632 1.00 0.00 C ATOM 1904 CG LEU A 126 13.292 2.132 -7.975 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.471 1.531 -6.828 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.069 3.311 -7.405 1.00 0.00 C ATOM 0 H LEU A 126 14.393 1.465 -11.139 1.00 0.00 H new ATOM 0 HA LEU A 126 13.969 -0.782 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.645 0.470 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.054 1.635 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 126 12.625 2.462 -8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.829 2.300 -6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.855 0.716 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.144 1.149 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.375 4.017 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.771 2.954 -6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.617 3.807 -8.206 1.00 0.00 H new ATOM 1918 N ILE A 127 11.286 0.980 -10.181 1.00 0.00 N ATOM 1919 CA ILE A 127 9.841 0.877 -10.293 1.00 0.00 C ATOM 1920 C ILE A 127 9.477 -0.427 -11.004 1.00 0.00 C ATOM 1921 O ILE A 127 8.536 -1.089 -10.575 1.00 0.00 O ATOM 1922 CB ILE A 127 9.288 2.124 -11.023 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.356 3.382 -10.126 1.00 0.00 C ATOM 1924 CG2 ILE A 127 7.833 1.883 -11.447 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.147 4.704 -10.883 1.00 0.00 C ATOM 0 H ILE A 127 11.661 1.847 -10.566 1.00 0.00 H new ATOM 0 HA ILE A 127 9.382 0.849 -9.305 1.00 0.00 H new ATOM 0 HB ILE A 127 9.908 2.294 -11.903 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.600 3.300 -9.345 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.326 3.409 -9.630 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.452 2.766 -11.960 1.00 0.00 H new ATOM 0 HG22 ILE A 127 7.787 1.025 -12.118 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.225 1.686 -10.564 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.209 5.538 -10.183 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.918 4.812 -11.646 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.165 4.701 -11.357 1.00 0.00 H new ATOM 1937 N ALA A 128 10.187 -0.828 -12.059 1.00 0.00 N ATOM 1938 CA ALA A 128 9.805 -1.993 -12.853 1.00 0.00 C ATOM 1939 C ALA A 128 9.838 -3.279 -12.018 1.00 0.00 C ATOM 1940 O ALA A 128 9.042 -4.191 -12.249 1.00 0.00 O ATOM 1941 CB ALA A 128 10.698 -2.117 -14.092 1.00 0.00 C ATOM 0 H ALA A 128 11.033 -0.360 -12.383 1.00 0.00 H new ATOM 0 HA ALA A 128 8.777 -1.848 -13.185 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.398 -2.991 -14.671 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.595 -1.222 -14.706 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.737 -2.226 -13.782 1.00 0.00 H new ATOM 1947 N LYS A 129 10.739 -3.345 -11.034 1.00 0.00 N ATOM 1948 CA LYS A 129 10.856 -4.456 -10.097 1.00 0.00 C ATOM 1949 C LYS A 129 9.618 -4.544 -9.200 1.00 0.00 C ATOM 1950 O LYS A 129 9.089 -5.636 -8.988 1.00 0.00 O ATOM 1951 CB LYS A 129 12.115 -4.266 -9.247 1.00 0.00 C ATOM 1952 CG LYS A 129 13.405 -4.321 -10.082 1.00 0.00 C ATOM 1953 CD LYS A 129 14.591 -3.828 -9.247 1.00 0.00 C ATOM 1954 CE LYS A 129 15.789 -3.408 -10.115 1.00 0.00 C ATOM 1955 NZ LYS A 129 16.441 -4.554 -10.799 1.00 0.00 N ATOM 0 H LYS A 129 11.423 -2.607 -10.866 1.00 0.00 H new ATOM 0 HA LYS A 129 10.931 -5.388 -10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.060 -3.307 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.150 -5.038 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.586 -5.341 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.297 -3.705 -10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.275 -2.982 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.902 -4.617 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.454 -2.689 -10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.523 -2.900 -9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.240 -4.209 -11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.788 -5.230 -10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.752 -5.026 -11.419 1.00 0.00 H new ATOM 1969 N ILE A 130 9.173 -3.406 -8.660 1.00 0.00 N ATOM 1970 CA ILE A 130 8.148 -3.320 -7.626 1.00 0.00 C ATOM 1971 C ILE A 130 6.716 -3.221 -8.164 1.00 0.00 C ATOM 1972 O ILE A 130 5.780 -3.612 -7.465 1.00 0.00 O ATOM 1973 CB ILE A 130 8.444 -2.147 -6.664 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.777 -0.802 -7.331 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.507 -2.597 -5.639 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.276 0.287 -6.375 1.00 0.00 C ATOM 0 H ILE A 130 9.530 -2.493 -8.942 1.00 0.00 H new ATOM 0 HA ILE A 130 8.197 -4.265 -7.085 1.00 0.00 H new ATOM 0 HB ILE A 130 7.510 -1.917 -6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.536 -0.970 -8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.886 -0.436 -7.842 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.723 -1.776 -4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.130 -3.450 -5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.419 -2.883 -6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.484 1.197 -6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.512 0.491 -5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.187 -0.051 -5.882 1.00 0.00 H new ATOM 1988 N SER A 131 6.556 -2.682 -9.372 1.00 0.00 N ATOM 1989 CA SER A 131 5.282 -2.481 -10.058 1.00 0.00 C ATOM 1990 C SER A 131 4.404 -3.734 -9.973 1.00 0.00 C ATOM 1991 O SER A 131 3.226 -3.610 -9.580 1.00 0.00 O ATOM 1992 CB SER A 131 5.528 -2.097 -11.517 1.00 0.00 C ATOM 1993 OG SER A 131 6.118 -0.816 -11.564 1.00 0.00 O ATOM 1994 OXT SER A 131 4.880 -4.837 -10.323 1.00 0.00 O ATOM 0 H SER A 131 7.350 -2.358 -9.925 1.00 0.00 H new ATOM 0 HA SER A 131 4.751 -1.668 -9.562 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.180 -2.829 -11.994 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.589 -2.099 -12.070 1.00 0.00 H new ATOM 0 HG SER A 131 7.022 -0.858 -11.188 1.00 0.00 H new