USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 433 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 28 SER OG : rot 180:sc= -0.0286 USER MOD Set 1.2: A 30 LYS NZ :NH3+ 180:sc= -0.0165 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -2:sc= 0.37 USER MOD Single : A 23 HIS : no HD1:sc= -2.96! C(o=-3!,f=-4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 144:sc= -9.68! (180deg=-14.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -3.54 K(o=-3.5,f=-2.1) USER MOD Single : A 46 LYS NZ :NH3+ -145:sc= -0.0956 (180deg=-0.387) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -78:sc= 1.07 USER MOD Single : A 52 THR OG1 : rot 2:sc= 0.878! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 62:sc= -0.528! USER MOD Single : A 61 ASN : amide:sc= -0.546 K(o=-0.55,f=-2.9!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 11 15.972 -14.173 -16.185 1.00 0.00 N ATOM 26 CA ASP A 11 16.960 -14.918 -17.014 1.00 0.00 C ATOM 27 C ASP A 11 18.306 -14.191 -16.984 1.00 0.00 C ATOM 28 O ASP A 11 18.372 -12.982 -17.087 1.00 0.00 O ATOM 29 CB ASP A 11 16.456 -14.997 -18.457 1.00 0.00 C ATOM 30 CG ASP A 11 16.036 -16.434 -18.771 1.00 0.00 C ATOM 31 OD1 ASP A 11 16.900 -17.296 -18.777 1.00 0.00 O ATOM 32 OD2 ASP A 11 14.857 -16.648 -19.002 1.00 0.00 O ATOM 0 HA ASP A 11 17.083 -15.925 -16.614 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.612 -14.321 -18.597 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.238 -14.677 -19.145 1.00 0.00 H new ATOM 37 N ILE A 12 19.381 -14.919 -16.847 1.00 0.00 N ATOM 38 CA ILE A 12 20.722 -14.268 -16.813 1.00 0.00 C ATOM 39 C ILE A 12 21.445 -14.529 -18.137 1.00 0.00 C ATOM 40 O ILE A 12 21.512 -15.647 -18.610 1.00 0.00 O ATOM 41 CB ILE A 12 21.542 -14.848 -15.658 1.00 0.00 C ATOM 42 CG1 ILE A 12 21.030 -14.278 -14.333 1.00 0.00 C ATOM 43 CG2 ILE A 12 23.015 -14.476 -15.837 1.00 0.00 C ATOM 44 CD1 ILE A 12 21.412 -12.800 -14.233 1.00 0.00 C ATOM 0 H ILE A 12 19.389 -15.935 -16.757 1.00 0.00 H new ATOM 0 HA ILE A 12 20.604 -13.194 -16.668 1.00 0.00 H new ATOM 0 HB ILE A 12 21.441 -15.933 -15.652 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.948 -14.390 -14.271 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.457 -14.832 -13.497 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.597 -14.890 -15.014 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.381 -14.882 -16.780 1.00 0.00 H new ATOM 0 HG23 ILE A 12 23.118 -13.391 -15.845 1.00 0.00 H new ATOM 0 HD11 ILE A 12 21.048 -12.393 -13.290 1.00 0.00 H new ATOM 0 HD12 ILE A 12 22.497 -12.701 -14.276 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.964 -12.252 -15.062 1.00 0.00 H new ATOM 56 N VAL A 13 21.979 -13.506 -18.742 1.00 0.00 N ATOM 57 CA VAL A 13 22.689 -13.686 -20.037 1.00 0.00 C ATOM 58 C VAL A 13 24.047 -12.995 -19.963 1.00 0.00 C ATOM 59 O VAL A 13 24.240 -12.076 -19.193 1.00 0.00 O ATOM 60 CB VAL A 13 21.864 -13.043 -21.154 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.826 -14.047 -21.662 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.152 -11.802 -20.615 1.00 0.00 C ATOM 0 H VAL A 13 21.954 -12.548 -18.393 1.00 0.00 H new ATOM 0 HA VAL A 13 22.824 -14.749 -20.239 1.00 0.00 H new ATOM 0 HB VAL A 13 22.523 -12.755 -21.973 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.237 -13.591 -22.458 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.333 -14.931 -22.048 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.167 -14.335 -20.843 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.565 -11.345 -21.411 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.492 -12.088 -19.796 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.891 -11.087 -20.253 1.00 0.00 H new ATOM 72 N VAL A 14 24.991 -13.412 -20.758 1.00 0.00 N ATOM 73 CA VAL A 14 26.318 -12.749 -20.716 1.00 0.00 C ATOM 74 C VAL A 14 26.551 -12.033 -22.045 1.00 0.00 C ATOM 75 O VAL A 14 26.289 -12.568 -23.106 1.00 0.00 O ATOM 76 CB VAL A 14 27.418 -13.784 -20.475 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.444 -14.781 -21.635 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.773 -13.077 -20.381 1.00 0.00 C ATOM 0 H VAL A 14 24.901 -14.176 -21.428 1.00 0.00 H new ATOM 0 HA VAL A 14 26.343 -12.027 -19.899 1.00 0.00 H new ATOM 0 HB VAL A 14 27.219 -14.314 -19.544 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.228 -15.519 -21.463 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.480 -15.285 -21.703 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.643 -14.251 -22.566 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.557 -13.814 -20.209 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.972 -12.546 -21.312 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.756 -12.366 -19.555 1.00 0.00 H new ATOM 88 N ALA A 15 27.023 -10.820 -21.992 1.00 0.00 N ATOM 89 CA ALA A 15 27.257 -10.057 -23.246 1.00 0.00 C ATOM 90 C ALA A 15 28.221 -10.823 -24.150 1.00 0.00 C ATOM 91 O ALA A 15 29.377 -11.014 -23.827 1.00 0.00 O ATOM 92 CB ALA A 15 27.854 -8.690 -22.909 1.00 0.00 C ATOM 0 H ALA A 15 27.257 -10.324 -21.132 1.00 0.00 H new ATOM 0 HA ALA A 15 26.308 -9.924 -23.765 1.00 0.00 H new ATOM 0 HB1 ALA A 15 28.025 -8.131 -23.829 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.163 -8.138 -22.272 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.800 -8.825 -22.385 1.00 0.00 H new ATOM 98 N LEU A 16 27.758 -11.238 -25.295 1.00 0.00 N ATOM 99 CA LEU A 16 28.649 -11.963 -26.239 1.00 0.00 C ATOM 100 C LEU A 16 29.314 -10.927 -27.139 1.00 0.00 C ATOM 101 O LEU A 16 30.403 -11.120 -27.642 1.00 0.00 O ATOM 102 CB LEU A 16 27.822 -12.930 -27.091 1.00 0.00 C ATOM 103 CG LEU A 16 27.380 -14.116 -26.232 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.241 -14.858 -26.934 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.562 -15.068 -26.033 1.00 0.00 C ATOM 0 H LEU A 16 26.799 -11.106 -25.618 1.00 0.00 H new ATOM 0 HA LEU A 16 29.400 -12.535 -25.693 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.951 -12.418 -27.499 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.411 -13.280 -27.938 1.00 0.00 H new ATOM 0 HG LEU A 16 27.035 -13.755 -25.263 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.926 -15.703 -26.322 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.399 -14.180 -27.078 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.585 -15.220 -27.903 1.00 0.00 H new ATOM 0 HD21 LEU A 16 28.249 -15.914 -25.421 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.906 -15.429 -27.002 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.374 -14.540 -25.534 1.00 0.00 H new ATOM 117 N TYR A 17 28.652 -9.821 -27.334 1.00 0.00 N ATOM 118 CA TYR A 17 29.211 -8.742 -28.190 1.00 0.00 C ATOM 119 C TYR A 17 28.952 -7.391 -27.518 1.00 0.00 C ATOM 120 O TYR A 17 27.898 -7.166 -26.957 1.00 0.00 O ATOM 121 CB TYR A 17 28.512 -8.768 -29.551 1.00 0.00 C ATOM 122 CG TYR A 17 29.131 -9.843 -30.413 1.00 0.00 C ATOM 123 CD1 TYR A 17 30.394 -9.644 -30.981 1.00 0.00 C ATOM 124 CD2 TYR A 17 28.439 -11.038 -30.646 1.00 0.00 C ATOM 125 CE1 TYR A 17 30.968 -10.640 -31.780 1.00 0.00 C ATOM 126 CE2 TYR A 17 29.011 -12.034 -31.445 1.00 0.00 C ATOM 127 CZ TYR A 17 30.276 -11.835 -32.013 1.00 0.00 C ATOM 128 OH TYR A 17 30.841 -12.816 -32.800 1.00 0.00 O ATOM 0 H TYR A 17 27.737 -9.618 -26.931 1.00 0.00 H new ATOM 0 HA TYR A 17 30.282 -8.891 -28.324 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.447 -8.959 -29.421 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.605 -7.797 -30.038 1.00 0.00 H new ATOM 0 HD1 TYR A 17 30.926 -8.721 -30.803 1.00 0.00 H new ATOM 0 HD2 TYR A 17 27.463 -11.191 -30.209 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.944 -10.487 -32.216 1.00 0.00 H new ATOM 0 HE2 TYR A 17 28.477 -12.956 -31.624 1.00 0.00 H new ATOM 0 HH TYR A 17 30.230 -13.580 -32.859 1.00 0.00 H new ATOM 138 N PRO A 18 29.921 -6.471 -27.588 1.00 0.00 N ATOM 139 CA PRO A 18 29.786 -5.132 -26.999 1.00 0.00 C ATOM 140 C PRO A 18 28.636 -4.349 -27.641 1.00 0.00 C ATOM 141 O PRO A 18 28.398 -4.440 -28.829 1.00 0.00 O ATOM 142 CB PRO A 18 31.135 -4.473 -27.308 1.00 0.00 C ATOM 143 CG PRO A 18 31.639 -5.226 -28.492 1.00 0.00 C ATOM 144 CD PRO A 18 31.222 -6.647 -28.248 1.00 0.00 C ATOM 0 HA PRO A 18 29.555 -5.163 -25.934 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.020 -3.412 -27.529 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.820 -4.551 -26.464 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.210 -4.841 -29.417 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.722 -5.142 -28.583 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.136 -7.213 -29.176 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.933 -7.178 -27.615 1.00 0.00 H new ATOM 152 N TYR A 19 27.910 -3.595 -26.860 1.00 0.00 N ATOM 153 CA TYR A 19 26.763 -2.824 -27.419 1.00 0.00 C ATOM 154 C TYR A 19 26.800 -1.386 -26.904 1.00 0.00 C ATOM 155 O TYR A 19 26.809 -1.145 -25.712 1.00 0.00 O ATOM 156 CB TYR A 19 25.457 -3.480 -26.967 1.00 0.00 C ATOM 157 CG TYR A 19 24.292 -2.898 -27.738 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.668 -1.724 -27.294 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.830 -3.539 -28.894 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.584 -1.193 -28.006 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.748 -3.007 -29.606 1.00 0.00 C ATOM 162 CZ TYR A 19 22.125 -1.835 -29.161 1.00 0.00 C ATOM 163 OH TYR A 19 21.058 -1.313 -29.863 1.00 0.00 O ATOM 0 H TYR A 19 28.062 -3.480 -25.858 1.00 0.00 H new ATOM 0 HA TYR A 19 26.828 -2.819 -28.507 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.507 -4.557 -27.126 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.312 -3.322 -25.898 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.023 -1.228 -26.403 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.309 -4.444 -29.237 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.103 -0.289 -27.663 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.394 -3.501 -30.499 1.00 0.00 H new ATOM 0 HH TYR A 19 20.722 -0.516 -29.402 1.00 0.00 H new ATOM 173 N ASP A 20 26.804 -0.427 -27.786 1.00 0.00 N ATOM 174 CA ASP A 20 26.821 0.991 -27.332 1.00 0.00 C ATOM 175 C ASP A 20 25.416 1.570 -27.498 1.00 0.00 C ATOM 176 O ASP A 20 24.947 1.771 -28.599 1.00 0.00 O ATOM 177 CB ASP A 20 27.820 1.796 -28.168 1.00 0.00 C ATOM 178 CG ASP A 20 29.162 1.063 -28.203 1.00 0.00 C ATOM 179 OD1 ASP A 20 29.285 0.058 -27.521 1.00 0.00 O ATOM 180 OD2 ASP A 20 30.045 1.521 -28.909 1.00 0.00 O ATOM 0 H ASP A 20 26.796 -0.562 -28.797 1.00 0.00 H new ATOM 0 HA ASP A 20 27.124 1.043 -26.286 1.00 0.00 H new ATOM 0 HB2 ASP A 20 27.439 1.929 -29.181 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.948 2.791 -27.742 1.00 0.00 H new ATOM 185 N GLY A 21 24.746 1.821 -26.405 1.00 0.00 N ATOM 186 CA GLY A 21 23.359 2.373 -26.462 1.00 0.00 C ATOM 187 C GLY A 21 23.147 3.159 -27.758 1.00 0.00 C ATOM 188 O GLY A 21 23.356 4.354 -27.812 1.00 0.00 O ATOM 0 H GLY A 21 25.105 1.665 -25.463 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.635 1.560 -26.400 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.184 3.022 -25.604 1.00 0.00 H new ATOM 192 N ILE A 22 22.717 2.499 -28.800 1.00 0.00 N ATOM 193 CA ILE A 22 22.479 3.216 -30.082 1.00 0.00 C ATOM 194 C ILE A 22 21.059 3.780 -30.067 1.00 0.00 C ATOM 195 O ILE A 22 20.693 4.610 -30.874 1.00 0.00 O ATOM 196 CB ILE A 22 22.636 2.243 -31.254 1.00 0.00 C ATOM 197 CG1 ILE A 22 23.820 1.311 -30.989 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.885 3.031 -32.542 1.00 0.00 C ATOM 199 CD1 ILE A 22 23.865 0.224 -32.066 1.00 0.00 C ATOM 0 H ILE A 22 22.521 1.498 -28.817 1.00 0.00 H new ATOM 0 HA ILE A 22 23.200 4.025 -30.197 1.00 0.00 H new ATOM 0 HB ILE A 22 21.726 1.653 -31.360 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.751 1.878 -30.991 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.725 0.857 -30.003 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.997 2.339 -33.376 1.00 0.00 H new ATOM 0 HG22 ILE A 22 22.041 3.694 -32.732 1.00 0.00 H new ATOM 0 HG23 ILE A 22 23.795 3.622 -32.437 1.00 0.00 H new ATOM 0 HD11 ILE A 22 24.708 -0.440 -31.878 1.00 0.00 H new ATOM 0 HD12 ILE A 22 22.939 -0.350 -32.042 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.980 0.687 -33.046 1.00 0.00 H new ATOM 211 N HIS A 23 20.259 3.330 -29.137 1.00 0.00 N ATOM 212 CA HIS A 23 18.860 3.827 -29.038 1.00 0.00 C ATOM 213 C HIS A 23 18.698 4.586 -27.720 1.00 0.00 C ATOM 214 O HIS A 23 19.610 4.655 -26.921 1.00 0.00 O ATOM 215 CB HIS A 23 17.895 2.641 -29.065 1.00 0.00 C ATOM 216 CG HIS A 23 17.043 2.717 -30.303 1.00 0.00 C ATOM 217 ND1 HIS A 23 15.663 2.590 -30.261 1.00 0.00 N ATOM 218 CD2 HIS A 23 17.361 2.906 -31.626 1.00 0.00 C ATOM 219 CE1 HIS A 23 15.206 2.703 -31.522 1.00 0.00 C ATOM 220 NE2 HIS A 23 16.200 2.897 -32.393 1.00 0.00 N ATOM 0 H HIS A 23 20.519 2.634 -28.438 1.00 0.00 H new ATOM 0 HA HIS A 23 18.641 4.488 -29.876 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.452 1.704 -29.051 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.265 2.650 -28.176 1.00 0.00 H new ATOM 0 HD2 HIS A 23 18.360 3.041 -32.012 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.163 2.644 -31.796 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.124 3.014 -33.403 1.00 0.00 H new ATOM 228 N PRO A 24 17.513 5.164 -27.491 1.00 0.00 N ATOM 229 CA PRO A 24 17.231 5.920 -26.266 1.00 0.00 C ATOM 230 C PRO A 24 17.066 5.001 -25.051 1.00 0.00 C ATOM 231 O PRO A 24 17.352 5.380 -23.933 1.00 0.00 O ATOM 232 CB PRO A 24 15.910 6.619 -26.573 1.00 0.00 C ATOM 233 CG PRO A 24 15.255 5.764 -27.607 1.00 0.00 C ATOM 234 CD PRO A 24 16.360 5.130 -28.407 1.00 0.00 C ATOM 0 HA PRO A 24 18.042 6.602 -26.013 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.291 6.704 -25.680 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.075 7.631 -26.943 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.629 5.003 -27.140 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.606 6.361 -28.248 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.110 4.110 -28.699 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.560 5.684 -29.324 1.00 0.00 H new ATOM 242 N ASP A 25 16.595 3.802 -25.257 1.00 0.00 N ATOM 243 CA ASP A 25 16.397 2.872 -24.107 1.00 0.00 C ATOM 244 C ASP A 25 17.363 1.686 -24.207 1.00 0.00 C ATOM 245 O ASP A 25 17.479 0.896 -23.291 1.00 0.00 O ATOM 246 CB ASP A 25 14.960 2.351 -24.127 1.00 0.00 C ATOM 247 CG ASP A 25 14.561 1.901 -22.720 1.00 0.00 C ATOM 248 OD1 ASP A 25 15.353 2.089 -21.812 1.00 0.00 O ATOM 249 OD2 ASP A 25 13.469 1.377 -22.574 1.00 0.00 O ATOM 0 H ASP A 25 16.339 3.426 -26.170 1.00 0.00 H new ATOM 0 HA ASP A 25 16.591 3.409 -23.179 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.284 3.131 -24.476 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.873 1.518 -24.825 1.00 0.00 H new ATOM 254 N ASP A 26 18.048 1.541 -25.309 1.00 0.00 N ATOM 255 CA ASP A 26 18.988 0.394 -25.451 1.00 0.00 C ATOM 256 C ASP A 26 20.056 0.460 -24.358 1.00 0.00 C ATOM 257 O ASP A 26 20.782 1.429 -24.251 1.00 0.00 O ATOM 258 CB ASP A 26 19.668 0.460 -26.820 1.00 0.00 C ATOM 259 CG ASP A 26 18.996 -0.531 -27.772 1.00 0.00 C ATOM 260 OD1 ASP A 26 18.446 -1.507 -27.288 1.00 0.00 O ATOM 261 OD2 ASP A 26 19.042 -0.297 -28.969 1.00 0.00 O ATOM 0 H ASP A 26 17.997 2.165 -26.114 1.00 0.00 H new ATOM 0 HA ASP A 26 18.431 -0.538 -25.359 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.601 1.471 -27.223 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.728 0.226 -26.723 1.00 0.00 H new ATOM 266 N LEU A 27 20.176 -0.562 -23.554 1.00 0.00 N ATOM 267 CA LEU A 27 21.216 -0.547 -22.489 1.00 0.00 C ATOM 268 C LEU A 27 22.545 -0.985 -23.111 1.00 0.00 C ATOM 269 O LEU A 27 22.594 -1.910 -23.897 1.00 0.00 O ATOM 270 CB LEU A 27 20.794 -1.501 -21.360 1.00 0.00 C ATOM 271 CG LEU A 27 22.007 -1.937 -20.531 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.785 -3.018 -21.286 1.00 0.00 C ATOM 273 CD2 LEU A 27 22.915 -0.734 -20.266 1.00 0.00 C ATOM 0 H LEU A 27 19.600 -1.403 -23.589 1.00 0.00 H new ATOM 0 HA LEU A 27 21.331 0.452 -22.067 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.066 -1.009 -20.715 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.304 -2.378 -21.783 1.00 0.00 H new ATOM 0 HG LEU A 27 21.664 -2.340 -19.578 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.647 -3.326 -20.694 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.138 -3.878 -21.460 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.125 -2.621 -22.242 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.775 -1.050 -19.676 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.258 -0.321 -21.215 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.360 0.027 -19.718 1.00 0.00 H new ATOM 285 N SER A 28 23.620 -0.319 -22.786 1.00 0.00 N ATOM 286 CA SER A 28 24.936 -0.688 -23.381 1.00 0.00 C ATOM 287 C SER A 28 25.607 -1.793 -22.562 1.00 0.00 C ATOM 288 O SER A 28 25.627 -1.760 -21.347 1.00 0.00 O ATOM 289 CB SER A 28 25.841 0.546 -23.391 1.00 0.00 C ATOM 290 OG SER A 28 26.339 0.779 -22.081 1.00 0.00 O ATOM 0 H SER A 28 23.643 0.465 -22.134 1.00 0.00 H new ATOM 0 HA SER A 28 24.775 -1.051 -24.396 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.668 0.398 -24.085 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.284 1.416 -23.740 1.00 0.00 H new ATOM 0 HG SER A 28 26.920 1.568 -22.087 1.00 0.00 H new ATOM 296 N PHE A 29 26.180 -2.762 -23.224 1.00 0.00 N ATOM 297 CA PHE A 29 26.877 -3.858 -22.495 1.00 0.00 C ATOM 298 C PHE A 29 28.157 -4.212 -23.255 1.00 0.00 C ATOM 299 O PHE A 29 28.227 -4.080 -24.460 1.00 0.00 O ATOM 300 CB PHE A 29 25.971 -5.090 -22.392 1.00 0.00 C ATOM 301 CG PHE A 29 25.275 -5.351 -23.706 1.00 0.00 C ATOM 302 CD1 PHE A 29 24.033 -4.761 -23.971 1.00 0.00 C ATOM 303 CD2 PHE A 29 25.862 -6.199 -24.653 1.00 0.00 C ATOM 304 CE1 PHE A 29 23.380 -5.017 -25.182 1.00 0.00 C ATOM 305 CE2 PHE A 29 25.207 -6.458 -25.863 1.00 0.00 C ATOM 306 CZ PHE A 29 23.965 -5.867 -26.128 1.00 0.00 C ATOM 0 H PHE A 29 26.195 -2.841 -24.241 1.00 0.00 H new ATOM 0 HA PHE A 29 27.122 -3.529 -21.485 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.563 -5.960 -22.109 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.231 -4.939 -21.606 1.00 0.00 H new ATOM 0 HD1 PHE A 29 23.579 -4.108 -23.240 1.00 0.00 H new ATOM 0 HD2 PHE A 29 26.820 -6.653 -24.450 1.00 0.00 H new ATOM 0 HE1 PHE A 29 22.424 -4.558 -25.387 1.00 0.00 H new ATOM 0 HE2 PHE A 29 25.659 -7.114 -26.592 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.459 -6.067 -27.061 1.00 0.00 H new ATOM 316 N LYS A 30 29.177 -4.646 -22.566 1.00 0.00 N ATOM 317 CA LYS A 30 30.447 -4.986 -23.266 1.00 0.00 C ATOM 318 C LYS A 30 30.642 -6.499 -23.267 1.00 0.00 C ATOM 319 O LYS A 30 30.359 -7.167 -22.292 1.00 0.00 O ATOM 320 CB LYS A 30 31.618 -4.328 -22.534 1.00 0.00 C ATOM 321 CG LYS A 30 31.628 -2.828 -22.834 1.00 0.00 C ATOM 322 CD LYS A 30 30.768 -2.096 -21.803 1.00 0.00 C ATOM 323 CE LYS A 30 30.439 -0.693 -22.317 1.00 0.00 C ATOM 324 NZ LYS A 30 28.971 -0.457 -22.210 1.00 0.00 N ATOM 0 H LYS A 30 29.186 -4.779 -21.555 1.00 0.00 H new ATOM 0 HA LYS A 30 30.403 -4.625 -24.293 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.530 -4.495 -21.460 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.558 -4.779 -22.850 1.00 0.00 H new ATOM 0 HG2 LYS A 30 32.649 -2.448 -22.807 1.00 0.00 H new ATOM 0 HG3 LYS A 30 31.246 -2.645 -23.838 1.00 0.00 H new ATOM 0 HD2 LYS A 30 29.849 -2.652 -21.619 1.00 0.00 H new ATOM 0 HD3 LYS A 30 31.297 -2.032 -20.852 1.00 0.00 H new ATOM 0 HE2 LYS A 30 30.982 0.055 -21.738 1.00 0.00 H new ATOM 0 HE3 LYS A 30 30.760 -0.589 -23.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 28.746 0.497 -22.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.463 -1.163 -22.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.678 -0.540 -21.216 1.00 0.00 H new ATOM 338 N LYS A 31 31.135 -7.052 -24.344 1.00 0.00 N ATOM 339 CA LYS A 31 31.353 -8.522 -24.372 1.00 0.00 C ATOM 340 C LYS A 31 31.984 -8.941 -23.045 1.00 0.00 C ATOM 341 O LYS A 31 32.667 -8.168 -22.401 1.00 0.00 O ATOM 342 CB LYS A 31 32.284 -8.901 -25.522 1.00 0.00 C ATOM 343 CG LYS A 31 33.605 -8.142 -25.382 1.00 0.00 C ATOM 344 CD LYS A 31 34.756 -9.141 -25.246 1.00 0.00 C ATOM 345 CE LYS A 31 35.307 -9.093 -23.818 1.00 0.00 C ATOM 346 NZ LYS A 31 36.488 -9.996 -23.712 1.00 0.00 N ATOM 0 H LYS A 31 31.393 -6.553 -25.195 1.00 0.00 H new ATOM 0 HA LYS A 31 30.400 -9.030 -24.518 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.468 -9.975 -25.516 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.815 -8.663 -26.477 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.764 -7.504 -26.251 1.00 0.00 H new ATOM 0 HG3 LYS A 31 33.571 -7.489 -24.510 1.00 0.00 H new ATOM 0 HD2 LYS A 31 34.408 -10.147 -25.479 1.00 0.00 H new ATOM 0 HD3 LYS A 31 35.545 -8.903 -25.960 1.00 0.00 H new ATOM 0 HE2 LYS A 31 35.591 -8.073 -23.560 1.00 0.00 H new ATOM 0 HE3 LYS A 31 34.537 -9.398 -23.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 36.863 -9.964 -22.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 36.202 -10.969 -23.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 37.224 -9.685 -24.378 1.00 0.00 H new ATOM 360 N GLY A 32 31.755 -10.150 -22.624 1.00 0.00 N ATOM 361 CA GLY A 32 32.336 -10.609 -21.330 1.00 0.00 C ATOM 362 C GLY A 32 31.506 -10.051 -20.164 1.00 0.00 C ATOM 363 O GLY A 32 31.595 -10.524 -19.048 1.00 0.00 O ATOM 0 H GLY A 32 31.191 -10.842 -23.118 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.349 -11.698 -21.292 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.370 -10.275 -21.246 1.00 0.00 H new ATOM 367 N GLU A 33 30.704 -9.046 -20.409 1.00 0.00 N ATOM 368 CA GLU A 33 29.876 -8.463 -19.312 1.00 0.00 C ATOM 369 C GLU A 33 28.605 -9.295 -19.122 1.00 0.00 C ATOM 370 O GLU A 33 28.123 -9.930 -20.037 1.00 0.00 O ATOM 371 CB GLU A 33 29.498 -7.022 -19.663 1.00 0.00 C ATOM 372 CG GLU A 33 29.340 -6.209 -18.377 1.00 0.00 C ATOM 373 CD GLU A 33 28.089 -5.334 -18.476 1.00 0.00 C ATOM 374 OE1 GLU A 33 27.708 -5.003 -19.587 1.00 0.00 O ATOM 375 OE2 GLU A 33 27.532 -5.012 -17.440 1.00 0.00 O ATOM 0 H GLU A 33 30.587 -8.605 -21.321 1.00 0.00 H new ATOM 0 HA GLU A 33 30.452 -8.471 -18.387 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.266 -6.577 -20.295 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.568 -7.007 -20.232 1.00 0.00 H new ATOM 0 HG2 GLU A 33 29.262 -6.877 -17.519 1.00 0.00 H new ATOM 0 HG3 GLU A 33 30.220 -5.586 -18.217 1.00 0.00 H new ATOM 382 N LYS A 34 28.065 -9.297 -17.931 1.00 0.00 N ATOM 383 CA LYS A 34 26.829 -10.089 -17.663 1.00 0.00 C ATOM 384 C LYS A 34 25.627 -9.149 -17.559 1.00 0.00 C ATOM 385 O LYS A 34 25.726 -8.040 -17.075 1.00 0.00 O ATOM 386 CB LYS A 34 26.992 -10.856 -16.349 1.00 0.00 C ATOM 387 CG LYS A 34 27.216 -12.339 -16.649 1.00 0.00 C ATOM 388 CD LYS A 34 28.057 -12.964 -15.535 1.00 0.00 C ATOM 389 CE LYS A 34 28.217 -14.463 -15.798 1.00 0.00 C ATOM 390 NZ LYS A 34 27.436 -15.232 -14.789 1.00 0.00 N ATOM 0 H LYS A 34 28.429 -8.782 -17.129 1.00 0.00 H new ATOM 0 HA LYS A 34 26.666 -10.793 -18.479 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.835 -10.457 -15.785 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.104 -10.729 -15.729 1.00 0.00 H new ATOM 0 HG2 LYS A 34 26.258 -12.853 -16.728 1.00 0.00 H new ATOM 0 HG3 LYS A 34 27.720 -12.455 -17.608 1.00 0.00 H new ATOM 0 HD2 LYS A 34 29.035 -12.485 -15.491 1.00 0.00 H new ATOM 0 HD3 LYS A 34 27.579 -12.802 -14.569 1.00 0.00 H new ATOM 0 HE2 LYS A 34 27.871 -14.705 -16.803 1.00 0.00 H new ATOM 0 HE3 LYS A 34 29.270 -14.741 -15.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 27.545 -16.251 -14.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 27.786 -15.009 -13.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 26.431 -14.974 -14.858 1.00 0.00 H new ATOM 404 N MET A 35 24.496 -9.592 -18.024 1.00 0.00 N ATOM 405 CA MET A 35 23.271 -8.750 -17.978 1.00 0.00 C ATOM 406 C MET A 35 22.076 -9.604 -17.563 1.00 0.00 C ATOM 407 O MET A 35 22.044 -10.800 -17.779 1.00 0.00 O ATOM 408 CB MET A 35 23.004 -8.174 -19.366 1.00 0.00 C ATOM 409 CG MET A 35 23.979 -7.026 -19.632 1.00 0.00 C ATOM 410 SD MET A 35 25.282 -7.588 -20.755 1.00 0.00 S ATOM 411 CE MET A 35 24.200 -8.295 -22.022 1.00 0.00 C ATOM 0 H MET A 35 24.366 -10.514 -18.440 1.00 0.00 H new ATOM 0 HA MET A 35 23.415 -7.944 -17.258 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.122 -8.949 -20.123 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.976 -7.817 -19.433 1.00 0.00 H new ATOM 0 HG2 MET A 35 23.449 -6.179 -20.068 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.416 -6.681 -18.695 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.633 -8.124 -23.007 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.094 -9.367 -21.853 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.220 -7.821 -21.969 1.00 0.00 H new ATOM 421 N LYS A 36 21.088 -8.992 -16.978 1.00 0.00 N ATOM 422 CA LYS A 36 19.881 -9.752 -16.554 1.00 0.00 C ATOM 423 C LYS A 36 18.674 -9.212 -17.318 1.00 0.00 C ATOM 424 O LYS A 36 18.447 -8.021 -17.366 1.00 0.00 O ATOM 425 CB LYS A 36 19.660 -9.570 -15.051 1.00 0.00 C ATOM 426 CG LYS A 36 18.703 -10.650 -14.543 1.00 0.00 C ATOM 427 CD LYS A 36 17.897 -10.102 -13.363 1.00 0.00 C ATOM 428 CE LYS A 36 18.730 -10.200 -12.085 1.00 0.00 C ATOM 429 NZ LYS A 36 17.933 -10.874 -11.022 1.00 0.00 N ATOM 0 H LYS A 36 21.064 -7.993 -16.774 1.00 0.00 H new ATOM 0 HA LYS A 36 20.014 -10.813 -16.767 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.611 -9.634 -14.522 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.249 -8.581 -14.850 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.031 -10.961 -15.343 1.00 0.00 H new ATOM 0 HG3 LYS A 36 19.264 -11.533 -14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.619 -9.065 -13.550 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.970 -10.665 -13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.646 -10.759 -12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.028 -9.205 -11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.500 -10.941 -10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.071 -10.323 -10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.670 -11.829 -11.338 1.00 0.00 H new ATOM 443 N VAL A 37 17.897 -10.071 -17.918 1.00 0.00 N ATOM 444 CA VAL A 37 16.710 -9.583 -18.677 1.00 0.00 C ATOM 445 C VAL A 37 15.457 -9.713 -17.810 1.00 0.00 C ATOM 446 O VAL A 37 15.101 -10.789 -17.370 1.00 0.00 O ATOM 447 CB VAL A 37 16.545 -10.402 -19.961 1.00 0.00 C ATOM 448 CG1 VAL A 37 16.783 -11.883 -19.657 1.00 0.00 C ATOM 449 CG2 VAL A 37 15.130 -10.215 -20.512 1.00 0.00 C ATOM 0 H VAL A 37 18.030 -11.082 -17.916 1.00 0.00 H new ATOM 0 HA VAL A 37 16.855 -8.535 -18.940 1.00 0.00 H new ATOM 0 HB VAL A 37 17.269 -10.062 -20.701 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.665 -12.465 -20.571 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.793 -12.017 -19.269 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.061 -12.223 -18.915 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.015 -10.799 -21.425 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.404 -10.552 -19.772 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.961 -9.161 -20.731 1.00 0.00 H new ATOM 459 N LEU A 38 14.790 -8.620 -17.556 1.00 0.00 N ATOM 460 CA LEU A 38 13.564 -8.672 -16.711 1.00 0.00 C ATOM 461 C LEU A 38 12.339 -8.948 -17.589 1.00 0.00 C ATOM 462 O LEU A 38 11.532 -9.807 -17.291 1.00 0.00 O ATOM 463 CB LEU A 38 13.380 -7.332 -15.995 1.00 0.00 C ATOM 464 CG LEU A 38 14.737 -6.820 -15.504 1.00 0.00 C ATOM 465 CD1 LEU A 38 14.727 -5.290 -15.485 1.00 0.00 C ATOM 466 CD2 LEU A 38 15.001 -7.345 -14.092 1.00 0.00 C ATOM 0 H LEU A 38 15.042 -7.693 -17.898 1.00 0.00 H new ATOM 0 HA LEU A 38 13.670 -9.470 -15.976 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.929 -6.606 -16.672 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.698 -7.449 -15.153 1.00 0.00 H new ATOM 0 HG LEU A 38 15.522 -7.171 -16.174 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.692 -4.924 -15.136 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.539 -4.915 -16.491 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.942 -4.940 -14.815 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.967 -6.980 -13.743 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.217 -6.995 -13.421 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.008 -8.435 -14.104 1.00 0.00 H new ATOM 478 N GLU A 39 12.186 -8.224 -18.664 1.00 0.00 N ATOM 479 CA GLU A 39 11.005 -8.446 -19.549 1.00 0.00 C ATOM 480 C GLU A 39 11.471 -8.862 -20.946 1.00 0.00 C ATOM 481 O GLU A 39 12.375 -8.279 -21.510 1.00 0.00 O ATOM 482 CB GLU A 39 10.194 -7.152 -19.648 1.00 0.00 C ATOM 483 CG GLU A 39 8.735 -7.488 -19.964 1.00 0.00 C ATOM 484 CD GLU A 39 7.942 -6.192 -20.144 1.00 0.00 C ATOM 485 OE1 GLU A 39 8.282 -5.217 -19.495 1.00 0.00 O ATOM 486 OE2 GLU A 39 7.007 -6.198 -20.929 1.00 0.00 O ATOM 0 H GLU A 39 12.825 -7.490 -18.968 1.00 0.00 H new ATOM 0 HA GLU A 39 10.385 -9.237 -19.128 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.256 -6.599 -18.711 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.607 -6.510 -20.426 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.677 -8.091 -20.870 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.304 -8.082 -19.158 1.00 0.00 H new ATOM 493 N GLU A 40 10.855 -9.868 -21.508 1.00 0.00 N ATOM 494 CA GLU A 40 11.258 -10.323 -22.869 1.00 0.00 C ATOM 495 C GLU A 40 10.149 -9.986 -23.867 1.00 0.00 C ATOM 496 O GLU A 40 8.978 -10.049 -23.548 1.00 0.00 O ATOM 497 CB GLU A 40 11.485 -11.836 -22.854 1.00 0.00 C ATOM 498 CG GLU A 40 11.867 -12.310 -24.257 1.00 0.00 C ATOM 499 CD GLU A 40 11.086 -13.582 -24.596 1.00 0.00 C ATOM 500 OE1 GLU A 40 9.980 -13.459 -25.096 1.00 0.00 O ATOM 501 OE2 GLU A 40 11.608 -14.657 -24.350 1.00 0.00 O ATOM 0 H GLU A 40 10.091 -10.393 -21.083 1.00 0.00 H new ATOM 0 HA GLU A 40 12.179 -9.819 -23.163 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.274 -12.089 -22.146 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.582 -12.346 -22.520 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.649 -11.531 -24.988 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.938 -12.504 -24.308 1.00 0.00 H new ATOM 508 N HIS A 41 10.502 -9.634 -25.072 1.00 0.00 N ATOM 509 CA HIS A 41 9.461 -9.299 -26.086 1.00 0.00 C ATOM 510 C HIS A 41 9.528 -10.298 -27.247 1.00 0.00 C ATOM 511 O HIS A 41 9.508 -9.922 -28.403 1.00 0.00 O ATOM 512 CB HIS A 41 9.707 -7.888 -26.619 1.00 0.00 C ATOM 513 CG HIS A 41 9.624 -6.902 -25.486 1.00 0.00 C ATOM 514 ND1 HIS A 41 8.616 -5.954 -25.406 1.00 0.00 N ATOM 515 CD2 HIS A 41 10.413 -6.706 -24.380 1.00 0.00 C ATOM 516 CE1 HIS A 41 8.824 -5.236 -24.286 1.00 0.00 C ATOM 517 NE2 HIS A 41 9.906 -5.653 -23.624 1.00 0.00 N ATOM 0 H HIS A 41 11.466 -9.564 -25.399 1.00 0.00 H new ATOM 0 HA HIS A 41 8.476 -9.350 -25.621 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.687 -7.832 -27.092 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.970 -7.643 -27.383 1.00 0.00 H new ATOM 0 HD2 HIS A 41 11.293 -7.281 -24.134 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.192 -4.422 -23.962 1.00 0.00 H new ATOM 0 HE2 HIS A 41 10.281 -5.280 -22.752 1.00 0.00 H new ATOM 525 N GLY A 42 9.598 -11.567 -26.950 1.00 0.00 N ATOM 526 CA GLY A 42 9.654 -12.592 -28.035 1.00 0.00 C ATOM 527 C GLY A 42 10.691 -12.193 -29.091 1.00 0.00 C ATOM 528 O GLY A 42 10.522 -12.457 -30.265 1.00 0.00 O ATOM 0 H GLY A 42 9.619 -11.940 -26.001 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.910 -13.564 -27.613 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.673 -12.694 -28.499 1.00 0.00 H new ATOM 532 N GLU A 43 11.760 -11.567 -28.684 1.00 0.00 N ATOM 533 CA GLU A 43 12.806 -11.162 -29.670 1.00 0.00 C ATOM 534 C GLU A 43 13.692 -10.072 -29.069 1.00 0.00 C ATOM 535 O GLU A 43 14.900 -10.097 -29.195 1.00 0.00 O ATOM 536 CB GLU A 43 12.135 -10.626 -30.937 1.00 0.00 C ATOM 537 CG GLU A 43 12.196 -11.688 -32.036 1.00 0.00 C ATOM 538 CD GLU A 43 12.984 -11.143 -33.228 1.00 0.00 C ATOM 539 OE1 GLU A 43 12.504 -10.213 -33.856 1.00 0.00 O ATOM 540 OE2 GLU A 43 14.054 -11.665 -33.495 1.00 0.00 O ATOM 0 H GLU A 43 11.956 -11.318 -27.715 1.00 0.00 H new ATOM 0 HA GLU A 43 13.418 -12.030 -29.917 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.098 -10.363 -30.728 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.635 -9.716 -31.268 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.670 -12.593 -31.656 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.188 -11.963 -32.347 1.00 0.00 H new ATOM 547 N TRP A 44 13.098 -9.118 -28.416 1.00 0.00 N ATOM 548 CA TRP A 44 13.895 -8.022 -27.800 1.00 0.00 C ATOM 549 C TRP A 44 13.512 -7.904 -26.327 1.00 0.00 C ATOM 550 O TRP A 44 12.369 -7.675 -25.989 1.00 0.00 O ATOM 551 CB TRP A 44 13.589 -6.704 -28.512 1.00 0.00 C ATOM 552 CG TRP A 44 14.366 -6.634 -29.789 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.025 -7.259 -30.939 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.600 -5.913 -30.064 1.00 0.00 C ATOM 555 NE1 TRP A 44 14.973 -6.966 -31.903 1.00 0.00 N ATOM 556 CE2 TRP A 44 15.965 -6.140 -31.413 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.433 -5.091 -29.283 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.113 -5.572 -31.966 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.589 -4.518 -29.837 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.928 -4.758 -31.175 1.00 0.00 C ATOM 0 H TRP A 44 12.089 -9.048 -28.281 1.00 0.00 H new ATOM 0 HA TRP A 44 14.959 -8.241 -27.892 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.521 -6.630 -28.719 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.848 -5.863 -27.870 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.156 -7.884 -31.081 1.00 0.00 H new ATOM 0 HE1 TRP A 44 14.943 -7.318 -32.860 1.00 0.00 H new ATOM 0 HE3 TRP A 44 16.182 -4.899 -28.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.370 -5.760 -32.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 18.221 -3.888 -29.228 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.819 -4.314 -31.595 1.00 0.00 H new ATOM 571 N TRP A 45 14.454 -8.063 -25.443 1.00 0.00 N ATOM 572 CA TRP A 45 14.128 -7.963 -23.996 1.00 0.00 C ATOM 573 C TRP A 45 14.883 -6.790 -23.383 1.00 0.00 C ATOM 574 O TRP A 45 15.790 -6.241 -23.974 1.00 0.00 O ATOM 575 CB TRP A 45 14.548 -9.249 -23.275 1.00 0.00 C ATOM 576 CG TRP A 45 14.754 -10.349 -24.264 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.915 -10.652 -25.282 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.857 -11.296 -24.348 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.431 -11.728 -25.980 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.627 -12.161 -25.443 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.023 -11.488 -23.584 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.521 -13.180 -25.770 1.00 0.00 C ATOM 583 CZ3 TRP A 45 17.927 -12.512 -23.913 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.674 -13.357 -25.003 1.00 0.00 C ATOM 0 H TRP A 45 15.432 -8.257 -25.658 1.00 0.00 H new ATOM 0 HA TRP A 45 13.054 -7.815 -23.887 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.467 -9.077 -22.714 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.783 -9.537 -22.554 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.994 -10.138 -25.511 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.983 -12.151 -26.793 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.224 -10.845 -22.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.323 -13.828 -26.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.821 -12.649 -23.323 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.371 -14.145 -25.249 1.00 0.00 H new ATOM 595 N LYS A 46 14.532 -6.422 -22.186 1.00 0.00 N ATOM 596 CA LYS A 46 15.244 -5.304 -21.512 1.00 0.00 C ATOM 597 C LYS A 46 16.077 -5.893 -20.372 1.00 0.00 C ATOM 598 O LYS A 46 15.566 -6.570 -19.503 1.00 0.00 O ATOM 599 CB LYS A 46 14.225 -4.292 -20.974 1.00 0.00 C ATOM 600 CG LYS A 46 14.326 -4.198 -19.449 1.00 0.00 C ATOM 601 CD LYS A 46 13.344 -3.140 -18.937 1.00 0.00 C ATOM 602 CE LYS A 46 13.531 -1.845 -19.729 1.00 0.00 C ATOM 603 NZ LYS A 46 12.445 -1.720 -20.741 1.00 0.00 N ATOM 0 H LYS A 46 13.781 -6.848 -21.643 1.00 0.00 H new ATOM 0 HA LYS A 46 15.897 -4.784 -22.213 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.405 -3.313 -21.418 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.217 -4.592 -21.261 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.103 -5.165 -18.999 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.343 -3.937 -19.156 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.320 -3.498 -19.042 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.511 -2.957 -17.876 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.515 -0.989 -19.055 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.503 -1.845 -20.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.821 -1.268 -21.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.081 -2.665 -20.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.674 -1.139 -20.353 1.00 0.00 H new ATOM 617 N ALA A 47 17.357 -5.663 -20.384 1.00 0.00 N ATOM 618 CA ALA A 47 18.222 -6.234 -19.316 1.00 0.00 C ATOM 619 C ALA A 47 18.831 -5.125 -18.460 1.00 0.00 C ATOM 620 O ALA A 47 18.528 -3.958 -18.617 1.00 0.00 O ATOM 621 CB ALA A 47 19.346 -7.047 -19.961 1.00 0.00 C ATOM 0 H ALA A 47 17.843 -5.105 -21.086 1.00 0.00 H new ATOM 0 HA ALA A 47 17.612 -6.873 -18.677 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.983 -7.468 -19.183 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.917 -7.854 -20.555 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.940 -6.399 -20.605 1.00 0.00 H new ATOM 627 N LYS A 48 19.696 -5.494 -17.557 1.00 0.00 N ATOM 628 CA LYS A 48 20.352 -4.490 -16.676 1.00 0.00 C ATOM 629 C LYS A 48 21.843 -4.819 -16.586 1.00 0.00 C ATOM 630 O LYS A 48 22.231 -5.971 -16.610 1.00 0.00 O ATOM 631 CB LYS A 48 19.729 -4.550 -15.280 1.00 0.00 C ATOM 632 CG LYS A 48 20.422 -3.534 -14.368 1.00 0.00 C ATOM 633 CD LYS A 48 20.328 -4.006 -12.916 1.00 0.00 C ATOM 634 CE LYS A 48 19.052 -3.450 -12.280 1.00 0.00 C ATOM 635 NZ LYS A 48 18.384 -4.522 -11.490 1.00 0.00 N ATOM 0 H LYS A 48 19.979 -6.460 -17.391 1.00 0.00 H new ATOM 0 HA LYS A 48 20.215 -3.489 -17.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.662 -4.335 -15.337 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.831 -5.554 -14.867 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.467 -3.422 -14.658 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.954 -2.555 -14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.322 -5.095 -12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.202 -3.671 -12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.293 -2.605 -11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.379 -3.080 -13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.517 -4.145 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.142 -5.315 -12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.027 -4.855 -10.743 1.00 0.00 H new ATOM 649 N SER A 49 22.686 -3.825 -16.495 1.00 0.00 N ATOM 650 CA SER A 49 24.148 -4.106 -16.419 1.00 0.00 C ATOM 651 C SER A 49 24.545 -4.375 -14.968 1.00 0.00 C ATOM 652 O SER A 49 24.311 -3.565 -14.093 1.00 0.00 O ATOM 653 CB SER A 49 24.927 -2.899 -16.947 1.00 0.00 C ATOM 654 OG SER A 49 25.871 -3.332 -17.915 1.00 0.00 O ATOM 0 H SER A 49 22.428 -2.839 -16.470 1.00 0.00 H new ATOM 0 HA SER A 49 24.380 -4.982 -17.024 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.242 -2.176 -17.389 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.437 -2.394 -16.126 1.00 0.00 H new ATOM 0 HG SER A 49 26.646 -3.726 -17.463 1.00 0.00 H new ATOM 660 N LEU A 50 25.140 -5.504 -14.699 1.00 0.00 N ATOM 661 CA LEU A 50 25.541 -5.807 -13.298 1.00 0.00 C ATOM 662 C LEU A 50 26.692 -4.885 -12.887 1.00 0.00 C ATOM 663 O LEU A 50 27.082 -4.831 -11.738 1.00 0.00 O ATOM 664 CB LEU A 50 25.989 -7.266 -13.196 1.00 0.00 C ATOM 665 CG LEU A 50 24.769 -8.155 -12.938 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.662 -9.208 -14.042 1.00 0.00 C ATOM 667 CD2 LEU A 50 24.923 -8.850 -11.584 1.00 0.00 C ATOM 0 H LEU A 50 25.365 -6.225 -15.384 1.00 0.00 H new ATOM 0 HA LEU A 50 24.692 -5.645 -12.634 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.487 -7.570 -14.117 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.713 -7.380 -12.389 1.00 0.00 H new ATOM 0 HG LEU A 50 23.868 -7.542 -12.932 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.794 -9.841 -13.858 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.553 -8.713 -15.007 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.563 -9.821 -14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.055 -9.483 -11.399 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.824 -9.463 -11.590 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.999 -8.100 -10.797 1.00 0.00 H new ATOM 679 N LEU A 51 27.241 -4.159 -13.826 1.00 0.00 N ATOM 680 CA LEU A 51 28.368 -3.239 -13.505 1.00 0.00 C ATOM 681 C LEU A 51 27.818 -1.871 -13.101 1.00 0.00 C ATOM 682 O LEU A 51 28.141 -1.344 -12.054 1.00 0.00 O ATOM 683 CB LEU A 51 29.259 -3.080 -14.738 1.00 0.00 C ATOM 684 CG LEU A 51 30.315 -2.007 -14.468 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.341 -2.541 -13.467 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.021 -1.645 -15.777 1.00 0.00 C ATOM 0 H LEU A 51 26.955 -4.165 -14.805 1.00 0.00 H new ATOM 0 HA LEU A 51 28.949 -3.654 -12.681 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.741 -4.028 -14.976 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.656 -2.803 -15.603 1.00 0.00 H new ATOM 0 HG LEU A 51 29.834 -1.120 -14.057 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.094 -1.776 -13.275 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.839 -2.799 -12.534 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.822 -3.429 -13.878 1.00 0.00 H new ATOM 0 HD21 LEU A 51 31.774 -0.880 -15.585 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.502 -2.532 -16.188 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.291 -1.264 -16.491 1.00 0.00 H new ATOM 698 N THR A 52 26.991 -1.294 -13.922 1.00 0.00 N ATOM 699 CA THR A 52 26.418 0.041 -13.591 1.00 0.00 C ATOM 700 C THR A 52 24.932 -0.111 -13.262 1.00 0.00 C ATOM 701 O THR A 52 24.224 0.861 -13.081 1.00 0.00 O ATOM 702 CB THR A 52 26.584 0.982 -14.787 1.00 0.00 C ATOM 703 OG1 THR A 52 25.695 2.082 -14.650 1.00 0.00 O ATOM 704 CG2 THR A 52 26.269 0.228 -16.079 1.00 0.00 C ATOM 0 H THR A 52 26.685 -1.689 -14.811 1.00 0.00 H new ATOM 0 HA THR A 52 26.941 0.457 -12.730 1.00 0.00 H new ATOM 0 HB THR A 52 27.611 1.346 -14.823 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.205 2.003 -13.805 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.387 0.899 -16.930 1.00 0.00 H new ATOM 0 HG22 THR A 52 26.952 -0.615 -16.184 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.243 -0.138 -16.046 1.00 0.00 H new ATOM 712 N LYS A 53 24.455 -1.321 -13.180 1.00 0.00 N ATOM 713 CA LYS A 53 23.017 -1.537 -12.858 1.00 0.00 C ATOM 714 C LYS A 53 22.142 -0.721 -13.809 1.00 0.00 C ATOM 715 O LYS A 53 21.025 -0.369 -13.487 1.00 0.00 O ATOM 716 CB LYS A 53 22.745 -1.107 -11.416 1.00 0.00 C ATOM 717 CG LYS A 53 23.499 -2.031 -10.457 1.00 0.00 C ATOM 718 CD LYS A 53 22.561 -3.137 -9.971 1.00 0.00 C ATOM 719 CE LYS A 53 23.009 -3.616 -8.588 1.00 0.00 C ATOM 720 NZ LYS A 53 22.217 -2.913 -7.539 1.00 0.00 N ATOM 0 H LYS A 53 25.000 -2.172 -13.322 1.00 0.00 H new ATOM 0 HA LYS A 53 22.780 -2.595 -12.973 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.061 -0.075 -11.267 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.675 -1.145 -11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 53 24.363 -2.467 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 53 23.877 -1.461 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 53 21.537 -2.766 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 53 22.567 -3.969 -10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 53 22.871 -4.694 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.072 -3.419 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 22.521 -3.238 -6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 22.370 -1.887 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 21.207 -3.123 -7.668 1.00 0.00 H new ATOM 734 N LYS A 54 22.630 -0.431 -14.982 1.00 0.00 N ATOM 735 CA LYS A 54 21.809 0.343 -15.951 1.00 0.00 C ATOM 736 C LYS A 54 20.862 -0.624 -16.656 1.00 0.00 C ATOM 737 O LYS A 54 21.224 -1.744 -16.954 1.00 0.00 O ATOM 738 CB LYS A 54 22.721 1.015 -16.979 1.00 0.00 C ATOM 739 CG LYS A 54 22.618 2.535 -16.837 1.00 0.00 C ATOM 740 CD LYS A 54 22.018 3.127 -18.113 1.00 0.00 C ATOM 741 CE LYS A 54 23.142 3.470 -19.093 1.00 0.00 C ATOM 742 NZ LYS A 54 22.728 3.095 -20.475 1.00 0.00 N ATOM 0 H LYS A 54 23.559 -0.696 -15.310 1.00 0.00 H new ATOM 0 HA LYS A 54 21.240 1.114 -15.431 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.752 0.694 -16.831 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.435 0.713 -17.987 1.00 0.00 H new ATOM 0 HG2 LYS A 54 21.997 2.789 -15.978 1.00 0.00 H new ATOM 0 HG3 LYS A 54 23.604 2.962 -16.654 1.00 0.00 H new ATOM 0 HD2 LYS A 54 21.329 2.415 -18.568 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.442 4.022 -17.876 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.367 4.535 -19.046 1.00 0.00 H new ATOM 0 HE3 LYS A 54 24.053 2.939 -18.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 23.492 3.328 -21.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 22.534 2.074 -20.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 21.869 3.621 -20.735 1.00 0.00 H new ATOM 756 N GLU A 55 19.654 -0.216 -16.928 1.00 0.00 N ATOM 757 CA GLU A 55 18.707 -1.139 -17.612 1.00 0.00 C ATOM 758 C GLU A 55 18.290 -0.544 -18.955 1.00 0.00 C ATOM 759 O GLU A 55 18.061 0.643 -19.079 1.00 0.00 O ATOM 760 CB GLU A 55 17.471 -1.353 -16.736 1.00 0.00 C ATOM 761 CG GLU A 55 17.901 -1.527 -15.277 1.00 0.00 C ATOM 762 CD GLU A 55 16.733 -1.171 -14.355 1.00 0.00 C ATOM 763 OE1 GLU A 55 16.372 -0.006 -14.312 1.00 0.00 O ATOM 764 OE2 GLU A 55 16.221 -2.068 -13.706 1.00 0.00 O ATOM 0 H GLU A 55 19.284 0.709 -16.708 1.00 0.00 H new ATOM 0 HA GLU A 55 19.197 -2.098 -17.780 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.796 -0.502 -16.828 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.923 -2.233 -17.072 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.218 -2.555 -15.100 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.757 -0.888 -15.060 1.00 0.00 H new ATOM 771 N GLY A 56 18.197 -1.365 -19.964 1.00 0.00 N ATOM 772 CA GLY A 56 17.803 -0.862 -21.308 1.00 0.00 C ATOM 773 C GLY A 56 17.267 -2.023 -22.137 1.00 0.00 C ATOM 774 O GLY A 56 16.913 -3.062 -21.615 1.00 0.00 O ATOM 0 H GLY A 56 18.378 -2.368 -19.914 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.043 -0.086 -21.211 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.660 -0.408 -21.806 1.00 0.00 H new ATOM 778 N PHE A 57 17.207 -1.858 -23.424 1.00 0.00 N ATOM 779 CA PHE A 57 16.696 -2.959 -24.284 1.00 0.00 C ATOM 780 C PHE A 57 17.875 -3.709 -24.908 1.00 0.00 C ATOM 781 O PHE A 57 18.799 -3.118 -25.431 1.00 0.00 O ATOM 782 CB PHE A 57 15.805 -2.385 -25.387 1.00 0.00 C ATOM 783 CG PHE A 57 14.365 -2.404 -24.935 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.761 -3.614 -24.575 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.634 -1.211 -24.876 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.425 -3.632 -24.156 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.298 -1.230 -24.457 1.00 0.00 C ATOM 788 CZ PHE A 57 11.694 -2.440 -24.097 1.00 0.00 C ATOM 0 H PHE A 57 17.488 -1.012 -23.919 1.00 0.00 H new ATOM 0 HA PHE A 57 16.110 -3.649 -23.677 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.110 -1.365 -25.621 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.918 -2.969 -26.300 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.325 -4.534 -24.620 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.100 -0.277 -25.153 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.959 -4.566 -23.878 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.733 -0.310 -24.412 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.664 -2.454 -23.774 1.00 0.00 H new ATOM 798 N ILE A 58 17.839 -5.013 -24.861 1.00 0.00 N ATOM 799 CA ILE A 58 18.944 -5.822 -25.456 1.00 0.00 C ATOM 800 C ILE A 58 18.344 -6.806 -26.459 1.00 0.00 C ATOM 801 O ILE A 58 17.295 -7.373 -26.223 1.00 0.00 O ATOM 802 CB ILE A 58 19.667 -6.597 -24.349 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.676 -7.516 -23.631 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.268 -5.612 -23.343 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.445 -8.634 -22.923 1.00 0.00 C ATOM 0 H ILE A 58 17.089 -5.556 -24.434 1.00 0.00 H new ATOM 0 HA ILE A 58 19.657 -5.167 -25.957 1.00 0.00 H new ATOM 0 HB ILE A 58 20.462 -7.197 -24.791 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.092 -6.946 -22.908 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.971 -7.940 -24.346 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.782 -6.164 -22.556 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.978 -4.960 -23.852 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.473 -5.010 -22.904 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.742 -9.291 -22.410 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.009 -9.209 -23.657 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.132 -8.200 -22.197 1.00 0.00 H new ATOM 817 N PRO A 59 19.006 -7.012 -27.608 1.00 0.00 N ATOM 818 CA PRO A 59 18.502 -7.925 -28.632 1.00 0.00 C ATOM 819 C PRO A 59 18.764 -9.386 -28.251 1.00 0.00 C ATOM 820 O PRO A 59 19.582 -9.671 -27.400 1.00 0.00 O ATOM 821 CB PRO A 59 19.302 -7.550 -29.875 1.00 0.00 C ATOM 822 CG PRO A 59 20.571 -6.951 -29.356 1.00 0.00 C ATOM 823 CD PRO A 59 20.277 -6.376 -27.993 1.00 0.00 C ATOM 0 HA PRO A 59 17.424 -7.839 -28.771 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.503 -8.425 -30.493 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.756 -6.840 -30.496 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.354 -7.707 -29.292 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.932 -6.174 -30.030 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.071 -6.607 -27.282 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.186 -5.290 -28.028 1.00 0.00 H new ATOM 831 N SER A 60 18.087 -10.316 -28.864 1.00 0.00 N ATOM 832 CA SER A 60 18.323 -11.742 -28.510 1.00 0.00 C ATOM 833 C SER A 60 19.399 -12.332 -29.425 1.00 0.00 C ATOM 834 O SER A 60 19.401 -13.513 -29.711 1.00 0.00 O ATOM 835 CB SER A 60 17.027 -12.532 -28.666 1.00 0.00 C ATOM 836 OG SER A 60 17.251 -13.885 -28.301 1.00 0.00 O ATOM 0 H SER A 60 17.387 -10.153 -29.588 1.00 0.00 H new ATOM 0 HA SER A 60 18.660 -11.803 -27.475 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.247 -12.099 -28.039 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.676 -12.475 -29.696 1.00 0.00 H new ATOM 0 HG SER A 60 17.520 -13.930 -27.360 1.00 0.00 H new ATOM 842 N ASN A 61 20.320 -11.526 -29.880 1.00 0.00 N ATOM 843 CA ASN A 61 21.393 -12.057 -30.765 1.00 0.00 C ATOM 844 C ASN A 61 22.741 -11.453 -30.363 1.00 0.00 C ATOM 845 O ASN A 61 23.765 -11.760 -30.940 1.00 0.00 O ATOM 846 CB ASN A 61 21.084 -11.703 -32.218 1.00 0.00 C ATOM 847 CG ASN A 61 22.102 -12.379 -33.138 1.00 0.00 C ATOM 848 OD1 ASN A 61 22.757 -13.326 -32.748 1.00 0.00 O ATOM 849 ND2 ASN A 61 22.264 -11.932 -34.354 1.00 0.00 N ATOM 0 H ASN A 61 20.375 -10.528 -29.678 1.00 0.00 H new ATOM 0 HA ASN A 61 21.440 -13.141 -30.661 1.00 0.00 H new ATOM 0 HB2 ASN A 61 20.075 -12.026 -32.475 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.117 -10.622 -32.354 1.00 0.00 H new ATOM 0 HD21 ASN A 61 22.939 -12.377 -34.975 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.715 -11.138 -34.683 1.00 0.00 H new ATOM 856 N TYR A 62 22.756 -10.609 -29.366 1.00 0.00 N ATOM 857 CA TYR A 62 24.045 -10.006 -28.921 1.00 0.00 C ATOM 858 C TYR A 62 24.446 -10.625 -27.580 1.00 0.00 C ATOM 859 O TYR A 62 25.610 -10.698 -27.240 1.00 0.00 O ATOM 860 CB TYR A 62 23.878 -8.494 -28.755 1.00 0.00 C ATOM 861 CG TYR A 62 24.257 -7.799 -30.040 1.00 0.00 C ATOM 862 CD1 TYR A 62 23.333 -7.708 -31.088 1.00 0.00 C ATOM 863 CD2 TYR A 62 25.535 -7.245 -30.185 1.00 0.00 C ATOM 864 CE1 TYR A 62 23.685 -7.062 -32.279 1.00 0.00 C ATOM 865 CE2 TYR A 62 25.887 -6.599 -31.376 1.00 0.00 C ATOM 866 CZ TYR A 62 24.963 -6.508 -32.423 1.00 0.00 C ATOM 867 OH TYR A 62 25.310 -5.872 -33.597 1.00 0.00 O ATOM 0 H TYR A 62 21.933 -10.312 -28.842 1.00 0.00 H new ATOM 0 HA TYR A 62 24.817 -10.200 -29.665 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.847 -8.258 -28.493 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.504 -8.136 -27.938 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.348 -8.137 -30.977 1.00 0.00 H new ATOM 0 HD2 TYR A 62 26.249 -7.316 -29.378 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.971 -6.991 -33.086 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.872 -6.171 -31.487 1.00 0.00 H new ATOM 0 HH TYR A 62 26.231 -5.544 -33.531 1.00 0.00 H new ATOM 877 N VAL A 63 23.485 -11.075 -26.820 1.00 0.00 N ATOM 878 CA VAL A 63 23.795 -11.697 -25.501 1.00 0.00 C ATOM 879 C VAL A 63 23.200 -13.103 -25.454 1.00 0.00 C ATOM 880 O VAL A 63 22.312 -13.434 -26.215 1.00 0.00 O ATOM 881 CB VAL A 63 23.178 -10.859 -24.380 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.616 -9.403 -24.529 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.653 -10.946 -24.462 1.00 0.00 C ATOM 0 H VAL A 63 22.494 -11.038 -27.057 1.00 0.00 H new ATOM 0 HA VAL A 63 24.876 -11.745 -25.370 1.00 0.00 H new ATOM 0 HB VAL A 63 23.513 -11.239 -23.415 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.176 -8.807 -23.730 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.703 -9.342 -24.471 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.283 -9.020 -25.493 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.211 -10.349 -23.664 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.318 -10.566 -25.427 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.341 -11.985 -24.353 1.00 0.00 H new