USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 536 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 46 THR OG1 : rot 180:sc= 0.567 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -157:sc= 1.18 (180deg=-0.101) USER MOD Set 2.1: A 35 TYR OH : rot 60:sc= 1.06 USER MOD Set 2.2: A 59 THR OG1 : rot -126:sc= 0.93 USER MOD Set 2.3: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.4: A 63 GLN : amide:sc= -0.201 K(o=1.8,f=0.52) USER MOD Set 3.1: A 12 ASN : amide:sc= 0.894 K(o=2.1,f=-2.2!) USER MOD Set 3.2: A 20 SER OG : rot -67:sc= 1.24 USER MOD Set 4.1: A 8 GLN : amide:sc=-0.00139 K(o=-0.0014,f=-0.86) USER MOD Set 4.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.209 K(o=0.21,f=-1.4!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 13 TYR OH : rot 28:sc= 0.984 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 18 ASN : amide:sc= -0.629 K(o=-0.63,f=-2.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0628 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -162:sc= -0.144 (180deg=-0.589) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= -0.145 (180deg=-0.673) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -0.02 (180deg=-0.2) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 73:sc= 1.08 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.1) USER MOD Single : A 69 TYR OH : rot -122:sc= 1.27 USER MOD Single : A 70 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.2) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 0.444 (180deg=-0.984) USER MOD ----------------------------------------------------------------- ATOM 95 N ASN A 7 12.608 8.338 1.885 1.00 0.00 N ATOM 96 CA ASN A 7 12.174 7.009 1.482 1.00 0.00 C ATOM 97 C ASN A 7 10.674 6.987 1.249 1.00 0.00 C ATOM 98 O ASN A 7 9.898 7.518 2.045 1.00 0.00 O ATOM 99 CB ASN A 7 12.580 5.962 2.520 1.00 0.00 C ATOM 100 CG ASN A 7 14.071 5.684 2.494 1.00 0.00 C ATOM 101 OD1 ASN A 7 14.712 5.777 1.447 1.00 0.00 O ATOM 102 ND2 ASN A 7 14.632 5.339 3.641 1.00 0.00 N ATOM 0 HA ASN A 7 12.670 6.759 0.544 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.293 6.306 3.514 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.035 5.036 2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.631 5.139 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 7 14.065 5.273 4.487 1.00 0.00 H new ATOM 109 N GLN A 8 10.275 6.382 0.143 1.00 0.00 N ATOM 110 CA GLN A 8 8.885 6.399 -0.276 1.00 0.00 C ATOM 111 C GLN A 8 8.184 5.086 0.056 1.00 0.00 C ATOM 112 O GLN A 8 8.523 4.031 -0.479 1.00 0.00 O ATOM 113 CB GLN A 8 8.805 6.675 -1.776 1.00 0.00 C ATOM 114 CG GLN A 8 9.471 7.980 -2.181 1.00 0.00 C ATOM 115 CD GLN A 8 9.509 8.177 -3.681 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.575 7.215 -4.445 1.00 0.00 O ATOM 117 NE2 GLN A 8 9.473 9.427 -4.112 1.00 0.00 N ATOM 0 H GLN A 8 10.898 5.871 -0.483 1.00 0.00 H new ATOM 0 HA GLN A 8 8.374 7.192 0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.274 5.852 -2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.758 6.699 -2.079 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.937 8.813 -1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.488 8.000 -1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.418 10.196 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.500 9.622 -5.113 1.00 0.00 H new ATOM 126 N VAL A 9 7.212 5.161 0.951 1.00 0.00 N ATOM 127 CA VAL A 9 6.389 4.008 1.280 1.00 0.00 C ATOM 128 C VAL A 9 5.175 3.969 0.362 1.00 0.00 C ATOM 129 O VAL A 9 4.267 4.791 0.484 1.00 0.00 O ATOM 130 CB VAL A 9 5.928 4.035 2.751 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.012 2.862 3.054 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.125 4.025 3.685 1.00 0.00 C ATOM 0 H VAL A 9 6.973 6.010 1.464 1.00 0.00 H new ATOM 0 HA VAL A 9 6.994 3.113 1.137 1.00 0.00 H new ATOM 0 HB VAL A 9 5.368 4.956 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.701 2.904 4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.133 2.911 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.544 1.928 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.780 4.044 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.712 3.122 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.744 4.901 3.493 1.00 0.00 H new ATOM 142 N THR A 10 5.170 3.026 -0.560 1.00 0.00 N ATOM 143 CA THR A 10 4.130 2.962 -1.571 1.00 0.00 C ATOM 144 C THR A 10 2.965 2.094 -1.114 1.00 0.00 C ATOM 145 O THR A 10 3.102 0.884 -0.955 1.00 0.00 O ATOM 146 CB THR A 10 4.692 2.416 -2.896 1.00 0.00 C ATOM 147 OG1 THR A 10 5.856 3.167 -3.269 1.00 0.00 O ATOM 148 CG2 THR A 10 3.655 2.501 -4.008 1.00 0.00 C ATOM 0 H THR A 10 5.875 2.292 -0.631 1.00 0.00 H new ATOM 0 HA THR A 10 3.765 3.977 -1.727 1.00 0.00 H new ATOM 0 HB THR A 10 4.955 1.368 -2.751 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.214 2.818 -4.112 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.079 2.109 -4.932 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.778 1.914 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.364 3.541 -4.155 1.00 0.00 H new ATOM 156 N VAL A 11 1.821 2.726 -0.899 1.00 0.00 N ATOM 157 CA VAL A 11 0.611 2.016 -0.530 1.00 0.00 C ATOM 158 C VAL A 11 -0.119 1.580 -1.792 1.00 0.00 C ATOM 159 O VAL A 11 -0.665 2.408 -2.524 1.00 0.00 O ATOM 160 CB VAL A 11 -0.321 2.901 0.330 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.574 2.138 0.728 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.414 3.410 1.562 1.00 0.00 C ATOM 0 H VAL A 11 1.708 3.737 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 11 0.890 1.145 0.063 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.624 3.760 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.215 2.780 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.112 1.829 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.295 1.257 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.257 4.031 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.750 2.563 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.276 4.001 1.253 1.00 0.00 H new ATOM 172 N ASN A 12 -0.103 0.284 -2.058 1.00 0.00 N ATOM 173 CA ASN A 12 -0.669 -0.241 -3.289 1.00 0.00 C ATOM 174 C ASN A 12 -1.881 -1.112 -2.983 1.00 0.00 C ATOM 175 O ASN A 12 -1.822 -1.994 -2.130 1.00 0.00 O ATOM 176 CB ASN A 12 0.386 -1.057 -4.047 1.00 0.00 C ATOM 177 CG ASN A 12 0.061 -1.216 -5.523 1.00 0.00 C ATOM 178 OD1 ASN A 12 -1.100 -1.176 -5.928 1.00 0.00 O ATOM 179 ND2 ASN A 12 1.087 -1.412 -6.336 1.00 0.00 N ATOM 0 H ASN A 12 0.295 -0.422 -1.439 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.986 0.595 -3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.357 -0.572 -3.944 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.472 -2.043 -3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.929 -1.536 -7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.036 -1.439 -5.963 1.00 0.00 H new ATOM 186 N TYR A 13 -2.978 -0.845 -3.677 1.00 0.00 N ATOM 187 CA TYR A 13 -4.199 -1.615 -3.503 1.00 0.00 C ATOM 188 C TYR A 13 -4.284 -2.686 -4.585 1.00 0.00 C ATOM 189 O TYR A 13 -4.541 -2.384 -5.754 1.00 0.00 O ATOM 190 CB TYR A 13 -5.420 -0.694 -3.558 1.00 0.00 C ATOM 191 CG TYR A 13 -5.366 0.446 -2.561 1.00 0.00 C ATOM 192 CD1 TYR A 13 -5.607 0.226 -1.210 1.00 0.00 C ATOM 193 CD2 TYR A 13 -5.082 1.743 -2.973 1.00 0.00 C ATOM 194 CE1 TYR A 13 -5.570 1.264 -0.299 1.00 0.00 C ATOM 195 CE2 TYR A 13 -5.040 2.786 -2.067 1.00 0.00 C ATOM 196 CZ TYR A 13 -5.284 2.542 -0.733 1.00 0.00 C ATOM 197 OH TYR A 13 -5.254 3.582 0.170 1.00 0.00 O ATOM 0 H TYR A 13 -3.046 -0.098 -4.368 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.183 -2.099 -2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.509 -0.282 -4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.318 -1.284 -3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.827 -0.774 -0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.891 1.939 -4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.764 1.076 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.817 3.788 -2.403 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.010 3.240 1.055 1.00 0.00 H new ATOM 207 N LEU A 14 -4.066 -3.929 -4.189 1.00 0.00 N ATOM 208 CA LEU A 14 -3.885 -5.017 -5.137 1.00 0.00 C ATOM 209 C LEU A 14 -5.055 -5.987 -5.144 1.00 0.00 C ATOM 210 O LEU A 14 -5.675 -6.247 -4.118 1.00 0.00 O ATOM 211 CB LEU A 14 -2.606 -5.781 -4.803 1.00 0.00 C ATOM 212 CG LEU A 14 -1.326 -4.958 -4.895 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.134 -5.777 -4.440 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.123 -4.468 -6.314 1.00 0.00 C ATOM 0 H LEU A 14 -4.010 -4.211 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.820 -4.570 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.692 -6.181 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.522 -6.633 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.418 -4.094 -4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.771 -5.174 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.280 -6.089 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.034 -6.658 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.206 -3.881 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.048 -5.322 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.969 -3.847 -6.609 1.00 0.00 H new ATOM 226 N ASP A 15 -5.349 -6.503 -6.325 1.00 0.00 N ATOM 227 CA ASP A 15 -6.287 -7.606 -6.485 1.00 0.00 C ATOM 228 C ASP A 15 -5.577 -8.922 -6.148 1.00 0.00 C ATOM 229 O ASP A 15 -4.361 -8.945 -5.958 1.00 0.00 O ATOM 230 CB ASP A 15 -6.809 -7.632 -7.934 1.00 0.00 C ATOM 231 CG ASP A 15 -7.950 -8.610 -8.159 1.00 0.00 C ATOM 232 OD1 ASP A 15 -7.683 -9.806 -8.397 1.00 0.00 O ATOM 233 OD2 ASP A 15 -9.124 -8.186 -8.122 1.00 0.00 O ATOM 0 H ASP A 15 -4.946 -6.171 -7.201 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.134 -7.476 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.142 -6.631 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.987 -7.888 -8.602 1.00 0.00 H new ATOM 238 N GLU A 16 -6.331 -10.006 -6.096 1.00 0.00 N ATOM 239 CA GLU A 16 -5.787 -11.330 -5.814 1.00 0.00 C ATOM 240 C GLU A 16 -5.057 -11.857 -7.039 1.00 0.00 C ATOM 241 O GLU A 16 -4.159 -12.692 -6.936 1.00 0.00 O ATOM 242 CB GLU A 16 -6.898 -12.302 -5.428 1.00 0.00 C ATOM 243 CG GLU A 16 -7.683 -11.893 -4.197 1.00 0.00 C ATOM 244 CD GLU A 16 -8.751 -12.903 -3.851 1.00 0.00 C ATOM 245 OE1 GLU A 16 -9.885 -12.779 -4.365 1.00 0.00 O ATOM 246 OE2 GLU A 16 -8.456 -13.841 -3.082 1.00 0.00 O ATOM 0 H GLU A 16 -7.340 -9.997 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.092 -11.245 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.586 -12.401 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.461 -13.286 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.003 -11.780 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.144 -10.920 -4.367 1.00 0.00 H new ATOM 253 N ASN A 17 -5.458 -11.354 -8.203 1.00 0.00 N ATOM 254 CA ASN A 17 -4.749 -11.622 -9.452 1.00 0.00 C ATOM 255 C ASN A 17 -3.485 -10.775 -9.487 1.00 0.00 C ATOM 256 O ASN A 17 -2.718 -10.796 -10.450 1.00 0.00 O ATOM 257 CB ASN A 17 -5.627 -11.275 -10.662 1.00 0.00 C ATOM 258 CG ASN A 17 -6.952 -12.014 -10.682 1.00 0.00 C ATOM 259 OD1 ASN A 17 -7.064 -13.138 -10.193 1.00 0.00 O ATOM 260 ND2 ASN A 17 -7.972 -11.379 -11.245 1.00 0.00 N ATOM 0 H ASN A 17 -6.276 -10.754 -8.308 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.500 -12.682 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.819 -10.202 -10.666 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.079 -11.504 -11.576 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.890 -11.822 -11.284 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.838 -10.448 -11.639 1.00 0.00 H new ATOM 267 N ASN A 18 -3.308 -10.031 -8.401 1.00 0.00 N ATOM 268 CA ASN A 18 -2.218 -9.092 -8.215 1.00 0.00 C ATOM 269 C ASN A 18 -2.250 -8.007 -9.282 1.00 0.00 C ATOM 270 O ASN A 18 -1.551 -8.077 -10.295 1.00 0.00 O ATOM 271 CB ASN A 18 -0.847 -9.782 -8.193 1.00 0.00 C ATOM 272 CG ASN A 18 0.266 -8.822 -7.805 1.00 0.00 C ATOM 273 OD1 ASN A 18 0.059 -7.905 -7.012 1.00 0.00 O ATOM 274 ND2 ASN A 18 1.451 -9.014 -8.368 1.00 0.00 N ATOM 0 H ASN A 18 -3.942 -10.069 -7.603 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.363 -8.632 -7.238 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.871 -10.614 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.637 -10.203 -9.176 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.227 -8.390 -8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.586 -9.785 -9.022 1.00 0.00 H new ATOM 281 N THR A 19 -3.106 -7.030 -9.065 1.00 0.00 N ATOM 282 CA THR A 19 -3.245 -5.909 -9.973 1.00 0.00 C ATOM 283 C THR A 19 -3.751 -4.702 -9.198 1.00 0.00 C ATOM 284 O THR A 19 -4.671 -4.831 -8.394 1.00 0.00 O ATOM 285 CB THR A 19 -4.230 -6.236 -11.117 1.00 0.00 C ATOM 286 OG1 THR A 19 -3.853 -7.467 -11.750 1.00 0.00 O ATOM 287 CG2 THR A 19 -4.256 -5.122 -12.153 1.00 0.00 C ATOM 0 H THR A 19 -3.725 -6.990 -8.255 1.00 0.00 H new ATOM 0 HA THR A 19 -2.271 -5.696 -10.413 1.00 0.00 H new ATOM 0 HB THR A 19 -5.227 -6.333 -10.687 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.483 -7.669 -12.473 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.958 -5.379 -12.946 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.569 -4.192 -11.679 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.260 -4.996 -12.577 1.00 0.00 H new ATOM 295 N SER A 20 -3.133 -3.551 -9.405 1.00 0.00 N ATOM 296 CA SER A 20 -3.552 -2.336 -8.729 1.00 0.00 C ATOM 297 C SER A 20 -4.945 -1.914 -9.193 1.00 0.00 C ATOM 298 O SER A 20 -5.108 -1.307 -10.254 1.00 0.00 O ATOM 299 CB SER A 20 -2.536 -1.227 -8.981 1.00 0.00 C ATOM 300 OG SER A 20 -1.240 -1.636 -8.579 1.00 0.00 O ATOM 0 H SER A 20 -2.340 -3.433 -10.036 1.00 0.00 H new ATOM 0 HA SER A 20 -3.601 -2.527 -7.657 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.529 -0.967 -10.039 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.826 -0.330 -8.434 1.00 0.00 H new ATOM 0 HG SER A 20 -1.219 -1.748 -7.606 1.00 0.00 H new ATOM 306 N ILE A 21 -5.946 -2.265 -8.396 1.00 0.00 N ATOM 307 CA ILE A 21 -7.337 -1.973 -8.722 1.00 0.00 C ATOM 308 C ILE A 21 -7.680 -0.526 -8.404 1.00 0.00 C ATOM 309 O ILE A 21 -8.672 0.014 -8.890 1.00 0.00 O ATOM 310 CB ILE A 21 -8.301 -2.910 -7.965 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.993 -2.895 -6.462 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.209 -4.323 -8.523 1.00 0.00 C ATOM 313 CD1 ILE A 21 -8.906 -3.780 -5.640 1.00 0.00 C ATOM 0 H ILE A 21 -5.819 -2.757 -7.511 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.457 -2.140 -9.792 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.321 -2.552 -8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.961 -3.212 -6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.069 -1.871 -6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.894 -4.974 -7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.477 -4.315 -9.580 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.190 -4.693 -8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.625 -3.716 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.938 -3.450 -5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.813 -4.812 -5.978 1.00 0.00 H new ATOM 325 N ALA A 22 -6.851 0.097 -7.587 1.00 0.00 N ATOM 326 CA ALA A 22 -7.025 1.494 -7.243 1.00 0.00 C ATOM 327 C ALA A 22 -5.701 2.223 -7.372 1.00 0.00 C ATOM 328 O ALA A 22 -4.641 1.608 -7.230 1.00 0.00 O ATOM 329 CB ALA A 22 -7.574 1.632 -5.832 1.00 0.00 C ATOM 0 H ALA A 22 -6.045 -0.347 -7.147 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.743 1.940 -7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.698 2.688 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.539 1.129 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.879 1.178 -5.125 1.00 0.00 H new ATOM 335 N PRO A 23 -5.742 3.529 -7.684 1.00 0.00 N ATOM 336 CA PRO A 23 -4.542 4.366 -7.750 1.00 0.00 C ATOM 337 C PRO A 23 -3.691 4.247 -6.489 1.00 0.00 C ATOM 338 O PRO A 23 -4.140 4.575 -5.387 1.00 0.00 O ATOM 339 CB PRO A 23 -5.103 5.781 -7.888 1.00 0.00 C ATOM 340 CG PRO A 23 -6.429 5.598 -8.535 1.00 0.00 C ATOM 341 CD PRO A 23 -6.961 4.288 -8.022 1.00 0.00 C ATOM 0 HA PRO A 23 -3.883 4.076 -8.569 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.200 6.265 -6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.450 6.409 -8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.102 6.418 -8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.335 5.583 -9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -7.601 4.428 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.557 3.774 -8.776 1.00 0.00 H new ATOM 349 N SER A 24 -2.479 3.750 -6.657 1.00 0.00 N ATOM 350 CA SER A 24 -1.563 3.566 -5.547 1.00 0.00 C ATOM 351 C SER A 24 -0.756 4.837 -5.305 1.00 0.00 C ATOM 352 O SER A 24 -0.404 5.552 -6.247 1.00 0.00 O ATOM 353 CB SER A 24 -0.646 2.375 -5.830 1.00 0.00 C ATOM 354 OG SER A 24 -0.230 2.364 -7.187 1.00 0.00 O ATOM 0 H SER A 24 -2.104 3.464 -7.561 1.00 0.00 H new ATOM 0 HA SER A 24 -2.132 3.358 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.227 2.421 -5.179 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.168 1.447 -5.598 1.00 0.00 H new ATOM 0 HG SER A 24 0.357 1.595 -7.343 1.00 0.00 H new ATOM 360 N LEU A 25 -0.473 5.122 -4.046 1.00 0.00 N ATOM 361 CA LEU A 25 0.211 6.350 -3.679 1.00 0.00 C ATOM 362 C LEU A 25 1.387 6.048 -2.763 1.00 0.00 C ATOM 363 O LEU A 25 1.320 5.136 -1.943 1.00 0.00 O ATOM 364 CB LEU A 25 -0.778 7.323 -3.016 1.00 0.00 C ATOM 365 CG LEU A 25 -1.595 6.756 -1.843 1.00 0.00 C ATOM 366 CD1 LEU A 25 -0.849 6.903 -0.523 1.00 0.00 C ATOM 367 CD2 LEU A 25 -2.954 7.434 -1.766 1.00 0.00 C ATOM 0 H LEU A 25 -0.707 4.518 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 25 0.604 6.824 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.221 8.190 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.472 7.680 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.744 5.691 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.455 6.492 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.097 6.364 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.655 7.958 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.520 7.021 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.818 8.505 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.500 7.262 -2.694 1.00 0.00 H new ATOM 379 N TYR A 26 2.469 6.795 -2.910 1.00 0.00 N ATOM 380 CA TYR A 26 3.638 6.581 -2.078 1.00 0.00 C ATOM 381 C TYR A 26 3.869 7.759 -1.143 1.00 0.00 C ATOM 382 O TYR A 26 3.792 8.919 -1.549 1.00 0.00 O ATOM 383 CB TYR A 26 4.887 6.297 -2.926 1.00 0.00 C ATOM 384 CG TYR A 26 5.196 7.326 -3.997 1.00 0.00 C ATOM 385 CD1 TYR A 26 5.931 8.467 -3.703 1.00 0.00 C ATOM 386 CD2 TYR A 26 4.774 7.138 -5.307 1.00 0.00 C ATOM 387 CE1 TYR A 26 6.236 9.392 -4.682 1.00 0.00 C ATOM 388 CE2 TYR A 26 5.072 8.061 -6.292 1.00 0.00 C ATOM 389 CZ TYR A 26 5.804 9.186 -5.974 1.00 0.00 C ATOM 390 OH TYR A 26 6.119 10.100 -6.954 1.00 0.00 O ATOM 0 H TYR A 26 2.561 7.548 -3.592 1.00 0.00 H new ATOM 0 HA TYR A 26 3.448 5.699 -1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.747 6.221 -2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.767 5.325 -3.404 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.270 8.634 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.204 6.256 -5.560 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.811 10.273 -4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.733 7.902 -7.305 1.00 0.00 H new ATOM 0 HH TYR A 26 5.740 9.807 -7.809 1.00 0.00 H new ATOM 400 N LEU A 27 4.125 7.444 0.114 1.00 0.00 N ATOM 401 CA LEU A 27 4.401 8.449 1.123 1.00 0.00 C ATOM 402 C LEU A 27 5.876 8.791 1.122 1.00 0.00 C ATOM 403 O LEU A 27 6.724 7.929 1.350 1.00 0.00 O ATOM 404 CB LEU A 27 3.985 7.940 2.501 1.00 0.00 C ATOM 405 CG LEU A 27 2.509 7.582 2.627 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.239 6.867 3.943 1.00 0.00 C ATOM 407 CD2 LEU A 27 1.647 8.829 2.511 1.00 0.00 C ATOM 0 H LEU A 27 4.147 6.486 0.463 1.00 0.00 H new ATOM 0 HA LEU A 27 3.827 9.347 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.581 7.060 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.225 8.702 3.243 1.00 0.00 H new ATOM 0 HG LEU A 27 2.250 6.906 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.179 6.621 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.828 5.951 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.516 7.517 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.596 8.555 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.910 9.529 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.816 9.299 1.542 1.00 0.00 H new ATOM 419 N SER A 28 6.174 10.043 0.850 1.00 0.00 N ATOM 420 CA SER A 28 7.551 10.503 0.825 1.00 0.00 C ATOM 421 C SER A 28 7.911 11.135 2.164 1.00 0.00 C ATOM 422 O SER A 28 7.662 12.320 2.392 1.00 0.00 O ATOM 423 CB SER A 28 7.751 11.498 -0.319 1.00 0.00 C ATOM 424 OG SER A 28 7.285 10.953 -1.543 1.00 0.00 O ATOM 0 H SER A 28 5.482 10.763 0.642 1.00 0.00 H new ATOM 0 HA SER A 28 8.212 9.652 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.218 12.423 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.807 11.752 -0.407 1.00 0.00 H new ATOM 0 HG SER A 28 7.420 11.604 -2.263 1.00 0.00 H new ATOM 430 N GLY A 29 8.470 10.332 3.055 1.00 0.00 N ATOM 431 CA GLY A 29 8.767 10.807 4.388 1.00 0.00 C ATOM 432 C GLY A 29 10.244 10.763 4.701 1.00 0.00 C ATOM 433 O GLY A 29 11.069 10.507 3.821 1.00 0.00 O ATOM 0 H GLY A 29 8.723 9.360 2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.406 11.830 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.226 10.201 5.115 1.00 0.00 H new ATOM 437 N LEU A 30 10.582 11.005 5.955 1.00 0.00 N ATOM 438 CA LEU A 30 11.973 11.026 6.380 1.00 0.00 C ATOM 439 C LEU A 30 12.356 9.692 7.004 1.00 0.00 C ATOM 440 O LEU A 30 11.488 8.912 7.394 1.00 0.00 O ATOM 441 CB LEU A 30 12.210 12.163 7.376 1.00 0.00 C ATOM 442 CG LEU A 30 11.898 13.563 6.844 1.00 0.00 C ATOM 443 CD1 LEU A 30 12.181 14.614 7.905 1.00 0.00 C ATOM 444 CD2 LEU A 30 12.703 13.846 5.584 1.00 0.00 C ATOM 0 H LEU A 30 9.911 11.191 6.700 1.00 0.00 H new ATOM 0 HA LEU A 30 12.599 11.195 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.601 11.983 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.252 12.136 7.695 1.00 0.00 H new ATOM 0 HG LEU A 30 10.838 13.606 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.953 15.603 7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.561 14.423 8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.233 14.571 8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.468 14.846 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.767 13.783 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.451 13.112 4.818 1.00 0.00 H new ATOM 456 N PHE A 31 13.655 9.433 7.095 1.00 0.00 N ATOM 457 CA PHE A 31 14.143 8.188 7.667 1.00 0.00 C ATOM 458 C PHE A 31 13.737 8.082 9.132 1.00 0.00 C ATOM 459 O PHE A 31 14.008 8.987 9.925 1.00 0.00 O ATOM 460 CB PHE A 31 15.664 8.093 7.528 1.00 0.00 C ATOM 461 CG PHE A 31 16.225 6.793 8.023 1.00 0.00 C ATOM 462 CD1 PHE A 31 16.068 5.634 7.284 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.902 6.729 9.228 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.577 4.436 7.738 1.00 0.00 C ATOM 465 CE2 PHE A 31 17.412 5.532 9.688 1.00 0.00 C ATOM 466 CZ PHE A 31 17.250 4.383 8.941 1.00 0.00 C ATOM 0 H PHE A 31 14.387 10.069 6.780 1.00 0.00 H new ATOM 0 HA PHE A 31 13.694 7.359 7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.935 8.222 6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 31 16.124 8.913 8.080 1.00 0.00 H new ATOM 0 HD1 PHE A 31 15.541 5.668 6.342 1.00 0.00 H new ATOM 0 HD2 PHE A 31 17.033 7.626 9.815 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.449 3.538 7.151 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.937 5.495 10.631 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.649 3.445 9.297 1.00 0.00 H new ATOM 476 N ASN A 32 13.092 6.968 9.472 1.00 0.00 N ATOM 477 CA ASN A 32 12.549 6.736 10.809 1.00 0.00 C ATOM 478 C ASN A 32 11.507 7.794 11.156 1.00 0.00 C ATOM 479 O ASN A 32 11.760 8.728 11.923 1.00 0.00 O ATOM 480 CB ASN A 32 13.649 6.686 11.876 1.00 0.00 C ATOM 481 CG ASN A 32 13.107 6.276 13.236 1.00 0.00 C ATOM 482 OD1 ASN A 32 12.112 5.552 13.329 1.00 0.00 O ATOM 483 ND2 ASN A 32 13.758 6.723 14.298 1.00 0.00 N ATOM 0 H ASN A 32 12.930 6.197 8.824 1.00 0.00 H new ATOM 0 HA ASN A 32 12.066 5.759 10.799 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.422 5.982 11.567 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.122 7.665 11.955 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.441 6.471 15.234 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.577 7.320 14.180 1.00 0.00 H new ATOM 490 N GLU A 33 10.347 7.658 10.543 1.00 0.00 N ATOM 491 CA GLU A 33 9.235 8.555 10.789 1.00 0.00 C ATOM 492 C GLU A 33 7.961 7.740 10.974 1.00 0.00 C ATOM 493 O GLU A 33 7.716 6.786 10.231 1.00 0.00 O ATOM 494 CB GLU A 33 9.098 9.547 9.627 1.00 0.00 C ATOM 495 CG GLU A 33 7.919 10.497 9.753 1.00 0.00 C ATOM 496 CD GLU A 33 7.904 11.544 8.660 1.00 0.00 C ATOM 497 OE1 GLU A 33 7.877 11.176 7.469 1.00 0.00 O ATOM 498 OE2 GLU A 33 7.926 12.749 8.987 1.00 0.00 O ATOM 0 H GLU A 33 10.149 6.925 9.862 1.00 0.00 H new ATOM 0 HA GLU A 33 9.414 9.128 11.699 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.015 10.132 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.001 8.988 8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.991 9.927 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.955 10.990 10.724 1.00 0.00 H new ATOM 505 N ALA A 34 7.174 8.097 11.980 1.00 0.00 N ATOM 506 CA ALA A 34 5.966 7.353 12.309 1.00 0.00 C ATOM 507 C ALA A 34 4.806 7.760 11.409 1.00 0.00 C ATOM 508 O ALA A 34 4.214 8.828 11.584 1.00 0.00 O ATOM 509 CB ALA A 34 5.602 7.559 13.772 1.00 0.00 C ATOM 0 H ALA A 34 7.351 8.900 12.584 1.00 0.00 H new ATOM 0 HA ALA A 34 6.164 6.294 12.141 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.697 6.997 14.004 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.419 7.209 14.403 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.429 8.619 13.958 1.00 0.00 H new ATOM 515 N TYR A 35 4.482 6.908 10.449 1.00 0.00 N ATOM 516 CA TYR A 35 3.402 7.190 9.519 1.00 0.00 C ATOM 517 C TYR A 35 2.234 6.244 9.759 1.00 0.00 C ATOM 518 O TYR A 35 2.377 5.215 10.423 1.00 0.00 O ATOM 519 CB TYR A 35 3.880 7.072 8.064 1.00 0.00 C ATOM 520 CG TYR A 35 4.160 5.652 7.609 1.00 0.00 C ATOM 521 CD1 TYR A 35 5.394 5.059 7.837 1.00 0.00 C ATOM 522 CD2 TYR A 35 3.187 4.907 6.953 1.00 0.00 C ATOM 523 CE1 TYR A 35 5.651 3.767 7.423 1.00 0.00 C ATOM 524 CE2 TYR A 35 3.436 3.614 6.537 1.00 0.00 C ATOM 525 CZ TYR A 35 4.670 3.048 6.777 1.00 0.00 C ATOM 526 OH TYR A 35 4.923 1.758 6.370 1.00 0.00 O ATOM 0 H TYR A 35 4.952 6.016 10.294 1.00 0.00 H new ATOM 0 HA TYR A 35 3.072 8.215 9.691 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.125 7.508 7.410 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.787 7.665 7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.166 5.617 8.346 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.219 5.347 6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.618 3.322 7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.669 3.050 6.027 1.00 0.00 H new ATOM 0 HH TYR A 35 5.153 1.209 7.148 1.00 0.00 H new ATOM 536 N ASN A 36 1.084 6.603 9.217 1.00 0.00 N ATOM 537 CA ASN A 36 -0.099 5.765 9.294 1.00 0.00 C ATOM 538 C ASN A 36 -0.513 5.336 7.895 1.00 0.00 C ATOM 539 O ASN A 36 -0.685 6.175 7.008 1.00 0.00 O ATOM 540 CB ASN A 36 -1.248 6.513 9.975 1.00 0.00 C ATOM 541 CG ASN A 36 -0.984 6.781 11.445 1.00 0.00 C ATOM 542 OD1 ASN A 36 -1.345 5.980 12.309 1.00 0.00 O ATOM 543 ND2 ASN A 36 -0.356 7.908 11.741 1.00 0.00 N ATOM 0 H ASN A 36 0.944 7.479 8.714 1.00 0.00 H new ATOM 0 HA ASN A 36 0.135 4.882 9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.414 7.460 9.462 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.164 5.931 9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.155 8.139 12.714 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.073 8.545 10.996 1.00 0.00 H new ATOM 550 N VAL A 37 -0.665 4.035 7.697 1.00 0.00 N ATOM 551 CA VAL A 37 -1.004 3.501 6.388 1.00 0.00 C ATOM 552 C VAL A 37 -2.501 3.653 6.114 1.00 0.00 C ATOM 553 O VAL A 37 -3.338 3.099 6.831 1.00 0.00 O ATOM 554 CB VAL A 37 -0.576 2.018 6.240 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.174 1.151 7.340 1.00 0.00 C ATOM 556 CG2 VAL A 37 -0.961 1.484 4.867 1.00 0.00 C ATOM 0 H VAL A 37 -0.559 3.330 8.427 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.449 4.079 5.649 1.00 0.00 H new ATOM 0 HB VAL A 37 0.509 1.975 6.339 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.853 0.118 7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.836 1.512 8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.262 1.202 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.652 0.442 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.041 1.554 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.465 2.073 4.095 1.00 0.00 H new ATOM 566 N PRO A 38 -2.860 4.436 5.087 1.00 0.00 N ATOM 567 CA PRO A 38 -4.254 4.664 4.725 1.00 0.00 C ATOM 568 C PRO A 38 -4.882 3.447 4.057 1.00 0.00 C ATOM 569 O PRO A 38 -4.661 3.187 2.872 1.00 0.00 O ATOM 570 CB PRO A 38 -4.199 5.842 3.737 1.00 0.00 C ATOM 571 CG PRO A 38 -2.786 6.332 3.762 1.00 0.00 C ATOM 572 CD PRO A 38 -1.946 5.171 4.204 1.00 0.00 C ATOM 0 HA PRO A 38 -4.866 4.864 5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.485 5.524 2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.891 6.631 4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.478 6.682 2.777 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.678 7.173 4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.619 4.562 3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.048 5.496 4.729 1.00 0.00 H new ATOM 580 N MET A 39 -5.645 2.688 4.827 1.00 0.00 N ATOM 581 CA MET A 39 -6.386 1.564 4.283 1.00 0.00 C ATOM 582 C MET A 39 -7.784 2.025 3.915 1.00 0.00 C ATOM 583 O MET A 39 -8.725 1.907 4.702 1.00 0.00 O ATOM 584 CB MET A 39 -6.439 0.400 5.277 1.00 0.00 C ATOM 585 CG MET A 39 -5.077 -0.209 5.571 1.00 0.00 C ATOM 586 SD MET A 39 -5.162 -1.602 6.713 1.00 0.00 S ATOM 587 CE MET A 39 -5.802 -0.799 8.181 1.00 0.00 C ATOM 0 H MET A 39 -5.767 2.830 5.830 1.00 0.00 H new ATOM 0 HA MET A 39 -5.877 1.201 3.390 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.881 0.749 6.210 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.097 -0.374 4.883 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.623 -0.539 4.637 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.425 0.558 5.989 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.615 -1.429 9.051 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.306 0.162 8.315 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.875 -0.642 8.071 1.00 0.00 H new ATOM 597 N LYS A 40 -7.901 2.603 2.730 1.00 0.00 N ATOM 598 CA LYS A 40 -9.154 3.185 2.285 1.00 0.00 C ATOM 599 C LYS A 40 -10.065 2.114 1.709 1.00 0.00 C ATOM 600 O LYS A 40 -9.624 1.256 0.939 1.00 0.00 O ATOM 601 CB LYS A 40 -8.888 4.283 1.255 1.00 0.00 C ATOM 602 CG LYS A 40 -7.955 5.368 1.771 1.00 0.00 C ATOM 603 CD LYS A 40 -7.794 6.500 0.773 1.00 0.00 C ATOM 604 CE LYS A 40 -6.782 7.524 1.262 1.00 0.00 C ATOM 605 NZ LYS A 40 -6.699 8.703 0.363 1.00 0.00 N ATOM 0 H LYS A 40 -7.138 2.681 2.057 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.657 3.631 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.457 3.836 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.835 4.735 0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.343 5.764 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.979 4.934 1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.473 6.098 -0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.757 6.985 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.055 7.852 2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.800 7.056 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.997 9.375 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.413 8.395 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.629 9.167 0.312 1.00 0.00 H new ATOM 619 N LYS A 41 -11.331 2.165 2.093 1.00 0.00 N ATOM 620 CA LYS A 41 -12.292 1.161 1.673 1.00 0.00 C ATOM 621 C LYS A 41 -12.713 1.375 0.232 1.00 0.00 C ATOM 622 O LYS A 41 -13.492 2.280 -0.070 1.00 0.00 O ATOM 623 CB LYS A 41 -13.539 1.178 2.565 1.00 0.00 C ATOM 624 CG LYS A 41 -14.639 0.233 2.086 1.00 0.00 C ATOM 625 CD LYS A 41 -15.953 0.488 2.807 1.00 0.00 C ATOM 626 CE LYS A 41 -17.069 -0.372 2.235 1.00 0.00 C ATOM 627 NZ LYS A 41 -18.374 -0.116 2.898 1.00 0.00 N ATOM 0 H LYS A 41 -11.716 2.893 2.696 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.800 0.193 1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.254 0.906 3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.934 2.193 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.783 0.357 1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.329 -0.799 2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.835 0.276 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.220 1.541 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.163 -0.178 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.807 -1.424 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.104 -0.725 2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.294 -0.325 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.639 0.882 2.770 1.00 0.00 H new ATOM 641 N ILE A 42 -12.178 0.562 -0.658 1.00 0.00 N ATOM 642 CA ILE A 42 -12.729 0.463 -1.989 1.00 0.00 C ATOM 643 C ILE A 42 -14.049 -0.281 -1.868 1.00 0.00 C ATOM 644 O ILE A 42 -14.071 -1.441 -1.451 1.00 0.00 O ATOM 645 CB ILE A 42 -11.788 -0.283 -2.956 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.368 0.279 -2.855 1.00 0.00 C ATOM 647 CG2 ILE A 42 -12.303 -0.164 -4.384 1.00 0.00 C ATOM 648 CD1 ILE A 42 -9.361 -0.459 -3.709 1.00 0.00 C ATOM 0 H ILE A 42 -11.369 -0.034 -0.483 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.865 1.462 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.764 -1.337 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.380 1.329 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.045 0.243 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.631 -0.694 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -13.300 -0.600 -4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.347 0.887 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.378 -0.005 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.319 -1.504 -3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.659 -0.401 -4.756 1.00 0.00 H new ATOM 660 N LYS A 43 -15.143 0.401 -2.174 1.00 0.00 N ATOM 661 CA LYS A 43 -16.472 -0.116 -1.875 1.00 0.00 C ATOM 662 C LYS A 43 -16.709 -1.486 -2.508 1.00 0.00 C ATOM 663 O LYS A 43 -16.668 -1.649 -3.728 1.00 0.00 O ATOM 664 CB LYS A 43 -17.554 0.877 -2.312 1.00 0.00 C ATOM 665 CG LYS A 43 -17.572 1.172 -3.800 1.00 0.00 C ATOM 666 CD LYS A 43 -18.710 2.108 -4.160 1.00 0.00 C ATOM 667 CE LYS A 43 -18.883 2.222 -5.663 1.00 0.00 C ATOM 668 NZ LYS A 43 -19.172 0.906 -6.289 1.00 0.00 N ATOM 0 H LYS A 43 -15.137 1.314 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.533 -0.243 -0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.528 0.485 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.411 1.812 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.623 1.618 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.674 0.241 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.636 1.746 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.518 3.095 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.695 2.915 -5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.978 2.642 -6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.594 1.053 -7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.288 0.367 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.837 0.375 -5.691 1.00 0.00 H new ATOM 682 N GLY A 44 -16.928 -2.473 -1.653 1.00 0.00 N ATOM 683 CA GLY A 44 -17.250 -3.800 -2.120 1.00 0.00 C ATOM 684 C GLY A 44 -16.043 -4.708 -2.208 1.00 0.00 C ATOM 685 O GLY A 44 -16.044 -5.681 -2.966 1.00 0.00 O ATOM 0 H GLY A 44 -16.888 -2.375 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.985 -4.246 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.716 -3.730 -3.103 1.00 0.00 H new ATOM 689 N TYR A 45 -15.011 -4.398 -1.435 1.00 0.00 N ATOM 690 CA TYR A 45 -13.819 -5.232 -1.392 1.00 0.00 C ATOM 691 C TYR A 45 -13.458 -5.607 0.043 1.00 0.00 C ATOM 692 O TYR A 45 -13.507 -4.774 0.951 1.00 0.00 O ATOM 693 CB TYR A 45 -12.639 -4.526 -2.064 1.00 0.00 C ATOM 694 CG TYR A 45 -12.757 -4.426 -3.570 1.00 0.00 C ATOM 695 CD1 TYR A 45 -13.457 -3.385 -4.166 1.00 0.00 C ATOM 696 CD2 TYR A 45 -12.159 -5.370 -4.397 1.00 0.00 C ATOM 697 CE1 TYR A 45 -13.559 -3.286 -5.541 1.00 0.00 C ATOM 698 CE2 TYR A 45 -12.254 -5.276 -5.773 1.00 0.00 C ATOM 699 CZ TYR A 45 -12.955 -4.232 -6.340 1.00 0.00 C ATOM 700 OH TYR A 45 -13.049 -4.130 -7.712 1.00 0.00 O ATOM 0 H TYR A 45 -14.976 -3.577 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.038 -6.148 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.546 -3.522 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.721 -5.059 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.930 -2.640 -3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.611 -6.190 -3.957 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.110 -2.471 -5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.782 -6.017 -6.401 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.568 -4.875 -8.129 1.00 0.00 H new ATOM 710 N THR A 46 -13.129 -6.875 0.233 1.00 0.00 N ATOM 711 CA THR A 46 -12.675 -7.393 1.518 1.00 0.00 C ATOM 712 C THR A 46 -11.151 -7.290 1.587 1.00 0.00 C ATOM 713 O THR A 46 -10.494 -7.377 0.564 1.00 0.00 O ATOM 714 CB THR A 46 -13.111 -8.871 1.671 1.00 0.00 C ATOM 715 OG1 THR A 46 -14.534 -8.972 1.716 1.00 0.00 O ATOM 716 CG2 THR A 46 -12.523 -9.523 2.913 1.00 0.00 C ATOM 0 H THR A 46 -13.169 -7.580 -0.503 1.00 0.00 H new ATOM 0 HA THR A 46 -13.117 -6.810 2.326 1.00 0.00 H new ATOM 0 HB THR A 46 -12.728 -9.401 0.799 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.792 -9.913 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.859 -10.558 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.435 -9.497 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.853 -8.981 3.799 1.00 0.00 H new ATOM 724 N LEU A 47 -10.580 -7.092 2.768 1.00 0.00 N ATOM 725 CA LEU A 47 -9.128 -6.991 2.870 1.00 0.00 C ATOM 726 C LEU A 47 -8.485 -8.375 2.871 1.00 0.00 C ATOM 727 O LEU A 47 -7.509 -8.613 2.164 1.00 0.00 O ATOM 728 CB LEU A 47 -8.701 -6.224 4.124 1.00 0.00 C ATOM 729 CG LEU A 47 -7.187 -6.026 4.256 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.654 -5.210 3.091 1.00 0.00 C ATOM 731 CD2 LEU A 47 -6.836 -5.358 5.571 1.00 0.00 C ATOM 0 H LEU A 47 -11.084 -7.000 3.650 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.784 -6.437 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.185 -5.247 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.064 -6.757 5.003 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.717 -7.009 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.577 -5.079 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.863 -5.731 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.139 -4.234 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.756 -5.230 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.321 -4.383 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.179 -5.980 6.398 1.00 0.00 H new ATOM 743 N LEU A 48 -9.043 -9.276 3.677 1.00 0.00 N ATOM 744 CA LEU A 48 -8.533 -10.643 3.810 1.00 0.00 C ATOM 745 C LEU A 48 -7.196 -10.636 4.553 1.00 0.00 C ATOM 746 O LEU A 48 -7.128 -11.039 5.715 1.00 0.00 O ATOM 747 CB LEU A 48 -8.414 -11.321 2.427 1.00 0.00 C ATOM 748 CG LEU A 48 -8.243 -12.851 2.422 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.549 -13.403 1.041 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.834 -13.257 2.828 1.00 0.00 C ATOM 0 H LEU A 48 -9.860 -9.082 4.256 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.241 -11.228 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.305 -11.076 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.565 -10.882 1.904 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.941 -13.265 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.426 -14.486 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.575 -13.156 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.866 -12.964 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.750 -14.344 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.116 -12.828 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.625 -12.891 3.833 1.00 0.00 H new ATOM 762 N LYS A 49 -6.146 -10.157 3.891 1.00 0.00 N ATOM 763 CA LYS A 49 -4.817 -10.104 4.484 1.00 0.00 C ATOM 764 C LYS A 49 -3.841 -9.412 3.541 1.00 0.00 C ATOM 765 O LYS A 49 -3.735 -9.773 2.368 1.00 0.00 O ATOM 766 CB LYS A 49 -4.309 -11.514 4.807 1.00 0.00 C ATOM 767 CG LYS A 49 -2.953 -11.537 5.495 1.00 0.00 C ATOM 768 CD LYS A 49 -2.505 -12.959 5.779 1.00 0.00 C ATOM 769 CE LYS A 49 -1.137 -12.999 6.438 1.00 0.00 C ATOM 770 NZ LYS A 49 -1.121 -12.279 7.739 1.00 0.00 N ATOM 0 H LYS A 49 -6.193 -9.798 2.937 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.885 -9.534 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.038 -12.015 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.246 -12.088 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.215 -11.039 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.006 -10.977 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.234 -13.447 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.476 -13.524 4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.841 -14.036 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.400 -12.555 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.241 -12.499 8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.176 -11.254 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.935 -12.579 8.312 1.00 0.00 H new ATOM 784 N TYR A 50 -3.140 -8.415 4.057 1.00 0.00 N ATOM 785 CA TYR A 50 -2.114 -7.723 3.290 1.00 0.00 C ATOM 786 C TYR A 50 -0.791 -8.477 3.381 1.00 0.00 C ATOM 787 O TYR A 50 -0.622 -9.341 4.243 1.00 0.00 O ATOM 788 CB TYR A 50 -1.955 -6.277 3.786 1.00 0.00 C ATOM 789 CG TYR A 50 -1.945 -6.126 5.295 1.00 0.00 C ATOM 790 CD1 TYR A 50 -0.800 -6.391 6.034 1.00 0.00 C ATOM 791 CD2 TYR A 50 -3.085 -5.714 5.977 1.00 0.00 C ATOM 792 CE1 TYR A 50 -0.791 -6.251 7.409 1.00 0.00 C ATOM 793 CE2 TYR A 50 -3.081 -5.569 7.352 1.00 0.00 C ATOM 794 CZ TYR A 50 -1.932 -5.839 8.064 1.00 0.00 C ATOM 795 OH TYR A 50 -1.921 -5.695 9.433 1.00 0.00 O ATOM 0 H TYR A 50 -3.263 -8.065 5.007 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.420 -7.690 2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.026 -5.870 3.387 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.768 -5.675 3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.098 -6.712 5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.988 -5.504 5.423 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.108 -6.464 7.969 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.974 -5.246 7.866 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.803 -5.397 9.738 1.00 0.00 H new ATOM 805 N ASP A 51 0.137 -8.162 2.488 1.00 0.00 N ATOM 806 CA ASP A 51 1.428 -8.843 2.459 1.00 0.00 C ATOM 807 C ASP A 51 2.344 -8.298 3.546 1.00 0.00 C ATOM 808 O ASP A 51 2.525 -7.084 3.657 1.00 0.00 O ATOM 809 CB ASP A 51 2.094 -8.686 1.090 1.00 0.00 C ATOM 810 CG ASP A 51 3.422 -9.417 1.000 1.00 0.00 C ATOM 811 OD1 ASP A 51 4.454 -8.850 1.416 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.444 -10.563 0.500 1.00 0.00 O ATOM 0 H ASP A 51 0.023 -7.442 1.775 1.00 0.00 H new ATOM 0 HA ASP A 51 1.254 -9.903 2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.423 -9.063 0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.252 -7.627 0.886 1.00 0.00 H new ATOM 817 N SER A 52 2.913 -9.208 4.340 1.00 0.00 N ATOM 818 CA SER A 52 3.794 -8.846 5.451 1.00 0.00 C ATOM 819 C SER A 52 3.024 -8.056 6.511 1.00 0.00 C ATOM 820 O SER A 52 1.798 -7.956 6.451 1.00 0.00 O ATOM 821 CB SER A 52 4.997 -8.039 4.940 1.00 0.00 C ATOM 822 OG SER A 52 5.688 -8.741 3.914 1.00 0.00 O ATOM 0 H SER A 52 2.776 -10.213 4.231 1.00 0.00 H new ATOM 0 HA SER A 52 4.165 -9.762 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.657 -7.076 4.560 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.678 -7.834 5.766 1.00 0.00 H new ATOM 0 HG SER A 52 5.154 -8.728 3.092 1.00 0.00 H new ATOM 828 N GLU A 53 3.727 -7.530 7.500 1.00 0.00 N ATOM 829 CA GLU A 53 3.096 -6.679 8.494 1.00 0.00 C ATOM 830 C GLU A 53 3.519 -5.236 8.278 1.00 0.00 C ATOM 831 O GLU A 53 4.676 -4.959 7.954 1.00 0.00 O ATOM 832 CB GLU A 53 3.439 -7.137 9.911 1.00 0.00 C ATOM 833 CG GLU A 53 2.935 -8.534 10.233 1.00 0.00 C ATOM 834 CD GLU A 53 3.069 -8.880 11.700 1.00 0.00 C ATOM 835 OE1 GLU A 53 4.211 -8.979 12.192 1.00 0.00 O ATOM 836 OE2 GLU A 53 2.030 -9.062 12.370 1.00 0.00 O ATOM 0 H GLU A 53 4.727 -7.676 7.636 1.00 0.00 H new ATOM 0 HA GLU A 53 2.015 -6.753 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.521 -7.110 10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.014 -6.432 10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.888 -8.615 9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.490 -9.261 9.640 1.00 0.00 H new ATOM 843 N ILE A 54 2.583 -4.322 8.454 1.00 0.00 N ATOM 844 CA ILE A 54 2.820 -2.926 8.139 1.00 0.00 C ATOM 845 C ILE A 54 3.458 -2.198 9.315 1.00 0.00 C ATOM 846 O ILE A 54 2.781 -1.842 10.281 1.00 0.00 O ATOM 847 CB ILE A 54 1.512 -2.208 7.748 1.00 0.00 C ATOM 848 CG1 ILE A 54 0.779 -2.990 6.653 1.00 0.00 C ATOM 849 CG2 ILE A 54 1.814 -0.793 7.276 1.00 0.00 C ATOM 850 CD1 ILE A 54 -0.587 -2.430 6.313 1.00 0.00 C ATOM 0 H ILE A 54 1.650 -4.522 8.814 1.00 0.00 H new ATOM 0 HA ILE A 54 3.504 -2.904 7.290 1.00 0.00 H new ATOM 0 HB ILE A 54 0.866 -2.156 8.625 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.393 -2.998 5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.668 -4.026 6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.884 -0.295 7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.301 -0.238 8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.474 -0.832 6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.044 -3.036 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.219 -2.447 7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.482 -1.403 5.962 1.00 0.00 H new ATOM 862 N LEU A 55 4.766 -2.004 9.239 1.00 0.00 N ATOM 863 CA LEU A 55 5.477 -1.228 10.242 1.00 0.00 C ATOM 864 C LEU A 55 5.280 0.257 9.968 1.00 0.00 C ATOM 865 O LEU A 55 5.532 0.726 8.856 1.00 0.00 O ATOM 866 CB LEU A 55 6.968 -1.575 10.236 1.00 0.00 C ATOM 867 CG LEU A 55 7.299 -3.031 10.566 1.00 0.00 C ATOM 868 CD1 LEU A 55 8.799 -3.264 10.486 1.00 0.00 C ATOM 869 CD2 LEU A 55 6.774 -3.401 11.947 1.00 0.00 C ATOM 0 H LEU A 55 5.356 -2.373 8.493 1.00 0.00 H new ATOM 0 HA LEU A 55 5.076 -1.470 11.226 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.375 -1.340 9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.477 -0.932 10.954 1.00 0.00 H new ATOM 0 HG LEU A 55 6.809 -3.671 9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.019 -4.305 10.723 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.149 -3.040 9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.307 -2.614 11.199 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.020 -4.441 12.163 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.234 -2.756 12.696 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.692 -3.271 11.972 1.00 0.00 H new ATOM 881 N GLY A 56 4.841 0.988 10.983 1.00 0.00 N ATOM 882 CA GLY A 56 4.506 2.391 10.808 1.00 0.00 C ATOM 883 C GLY A 56 5.713 3.309 10.882 1.00 0.00 C ATOM 884 O GLY A 56 5.612 4.431 11.375 1.00 0.00 O ATOM 0 H GLY A 56 4.710 0.634 11.930 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.016 2.523 9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.787 2.684 11.573 1.00 0.00 H new ATOM 888 N VAL A 57 6.848 2.844 10.381 1.00 0.00 N ATOM 889 CA VAL A 57 8.063 3.646 10.359 1.00 0.00 C ATOM 890 C VAL A 57 8.759 3.540 9.009 1.00 0.00 C ATOM 891 O VAL A 57 8.815 2.465 8.411 1.00 0.00 O ATOM 892 CB VAL A 57 9.058 3.239 11.471 1.00 0.00 C ATOM 893 CG1 VAL A 57 8.582 3.732 12.826 1.00 0.00 C ATOM 894 CG2 VAL A 57 9.262 1.730 11.494 1.00 0.00 C ATOM 0 H VAL A 57 6.953 1.911 9.982 1.00 0.00 H new ATOM 0 HA VAL A 57 7.753 4.676 10.537 1.00 0.00 H new ATOM 0 HB VAL A 57 10.017 3.709 11.251 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.297 3.434 13.593 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.499 4.819 12.809 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.608 3.297 13.050 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.966 1.470 12.285 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.308 1.237 11.681 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.658 1.402 10.533 1.00 0.00 H new ATOM 904 N PHE A 58 9.253 4.669 8.519 1.00 0.00 N ATOM 905 CA PHE A 58 10.054 4.686 7.301 1.00 0.00 C ATOM 906 C PHE A 58 11.416 4.051 7.560 1.00 0.00 C ATOM 907 O PHE A 58 12.287 4.658 8.185 1.00 0.00 O ATOM 908 CB PHE A 58 10.246 6.118 6.792 1.00 0.00 C ATOM 909 CG PHE A 58 8.991 6.772 6.288 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.115 7.390 7.162 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.695 6.779 4.936 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.966 8.002 6.699 1.00 0.00 C ATOM 913 CE2 PHE A 58 7.548 7.388 4.467 1.00 0.00 C ATOM 914 CZ PHE A 58 6.681 8.000 5.349 1.00 0.00 C ATOM 0 H PHE A 58 9.114 5.585 8.946 1.00 0.00 H new ATOM 0 HA PHE A 58 9.524 4.113 6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.659 6.725 7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.984 6.109 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.332 7.394 8.220 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.369 6.303 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.292 8.481 7.393 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.329 7.385 3.409 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.783 8.476 4.984 1.00 0.00 H new ATOM 924 N THR A 59 11.585 2.825 7.096 1.00 0.00 N ATOM 925 CA THR A 59 12.833 2.103 7.275 1.00 0.00 C ATOM 926 C THR A 59 13.850 2.512 6.208 1.00 0.00 C ATOM 927 O THR A 59 13.684 3.542 5.551 1.00 0.00 O ATOM 928 CB THR A 59 12.587 0.583 7.223 1.00 0.00 C ATOM 929 OG1 THR A 59 11.871 0.244 6.028 1.00 0.00 O ATOM 930 CG2 THR A 59 11.799 0.123 8.441 1.00 0.00 C ATOM 0 H THR A 59 10.868 2.306 6.589 1.00 0.00 H new ATOM 0 HA THR A 59 13.238 2.358 8.254 1.00 0.00 H new ATOM 0 HB THR A 59 13.553 0.078 7.222 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.070 -0.269 6.261 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.636 -0.953 8.384 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.359 0.358 9.346 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.837 0.634 8.466 1.00 0.00 H new ATOM 938 N GLU A 60 14.902 1.717 6.041 1.00 0.00 N ATOM 939 CA GLU A 60 15.931 2.013 5.051 1.00 0.00 C ATOM 940 C GLU A 60 15.432 1.680 3.653 1.00 0.00 C ATOM 941 O GLU A 60 15.889 2.248 2.663 1.00 0.00 O ATOM 942 CB GLU A 60 17.203 1.214 5.340 1.00 0.00 C ATOM 943 CG GLU A 60 17.757 1.425 6.736 1.00 0.00 C ATOM 944 CD GLU A 60 19.054 0.681 6.959 1.00 0.00 C ATOM 945 OE1 GLU A 60 19.007 -0.518 7.307 1.00 0.00 O ATOM 946 OE2 GLU A 60 20.129 1.290 6.783 1.00 0.00 O ATOM 0 H GLU A 60 15.064 0.865 6.577 1.00 0.00 H new ATOM 0 HA GLU A 60 16.159 3.077 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.994 0.154 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.966 1.488 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.919 2.490 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.021 1.096 7.470 1.00 0.00 H new ATOM 953 N SER A 61 14.491 0.756 3.586 1.00 0.00 N ATOM 954 CA SER A 61 13.958 0.298 2.317 1.00 0.00 C ATOM 955 C SER A 61 12.641 0.996 1.995 1.00 0.00 C ATOM 956 O SER A 61 11.792 1.159 2.873 1.00 0.00 O ATOM 957 CB SER A 61 13.747 -1.218 2.371 1.00 0.00 C ATOM 958 OG SER A 61 12.944 -1.581 3.488 1.00 0.00 O ATOM 0 H SER A 61 14.078 0.305 4.402 1.00 0.00 H new ATOM 0 HA SER A 61 14.672 0.542 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.270 -1.556 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.712 -1.721 2.433 1.00 0.00 H new ATOM 0 HG SER A 61 12.822 -2.553 3.501 1.00 0.00 H new ATOM 964 N PRO A 62 12.459 1.436 0.740 1.00 0.00 N ATOM 965 CA PRO A 62 11.171 1.942 0.273 1.00 0.00 C ATOM 966 C PRO A 62 10.125 0.837 0.333 1.00 0.00 C ATOM 967 O PRO A 62 10.133 -0.090 -0.477 1.00 0.00 O ATOM 968 CB PRO A 62 11.439 2.369 -1.177 1.00 0.00 C ATOM 969 CG PRO A 62 12.681 1.645 -1.571 1.00 0.00 C ATOM 970 CD PRO A 62 13.485 1.478 -0.313 1.00 0.00 C ATOM 0 HA PRO A 62 10.789 2.764 0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.605 2.104 -1.827 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.571 3.448 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.444 0.677 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.240 2.208 -2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.079 0.564 -0.333 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.179 2.306 -0.166 1.00 0.00 H new ATOM 978 N GLN A 63 9.236 0.926 1.307 1.00 0.00 N ATOM 979 CA GLN A 63 8.334 -0.171 1.604 1.00 0.00 C ATOM 980 C GLN A 63 7.092 -0.118 0.737 1.00 0.00 C ATOM 981 O GLN A 63 6.311 0.830 0.804 1.00 0.00 O ATOM 982 CB GLN A 63 7.935 -0.146 3.082 1.00 0.00 C ATOM 983 CG GLN A 63 9.111 -0.323 4.029 1.00 0.00 C ATOM 984 CD GLN A 63 8.715 -0.249 5.492 1.00 0.00 C ATOM 985 OE1 GLN A 63 9.339 -0.880 6.344 1.00 0.00 O ATOM 986 NE2 GLN A 63 7.683 0.522 5.799 1.00 0.00 N ATOM 0 H GLN A 63 9.120 1.745 1.904 1.00 0.00 H new ATOM 0 HA GLN A 63 8.861 -1.100 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.441 0.801 3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.207 -0.936 3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.584 -1.286 3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.856 0.445 3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.190 1.030 5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.381 0.608 6.770 1.00 0.00 H new ATOM 995 N THR A 64 6.932 -1.130 -0.096 1.00 0.00 N ATOM 996 CA THR A 64 5.714 -1.291 -0.859 1.00 0.00 C ATOM 997 C THR A 64 4.699 -2.056 -0.021 1.00 0.00 C ATOM 998 O THR A 64 4.883 -3.238 0.266 1.00 0.00 O ATOM 999 CB THR A 64 5.966 -2.048 -2.180 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.045 -1.437 -2.901 1.00 0.00 O ATOM 1001 CG2 THR A 64 4.716 -2.051 -3.048 1.00 0.00 C ATOM 0 H THR A 64 7.633 -1.852 -0.260 1.00 0.00 H new ATOM 0 HA THR A 64 5.333 -0.301 -1.108 1.00 0.00 H new ATOM 0 HB THR A 64 6.228 -3.078 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.198 -1.926 -3.737 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.917 -2.590 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.902 -2.540 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.432 -1.025 -3.280 1.00 0.00 H new ATOM 1009 N ILE A 65 3.641 -1.380 0.383 1.00 0.00 N ATOM 1010 CA ILE A 65 2.623 -2.004 1.200 1.00 0.00 C ATOM 1011 C ILE A 65 1.566 -2.620 0.303 1.00 0.00 C ATOM 1012 O ILE A 65 0.707 -1.924 -0.245 1.00 0.00 O ATOM 1013 CB ILE A 65 1.966 -1.005 2.175 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.033 -0.346 3.053 1.00 0.00 C ATOM 1015 CG2 ILE A 65 0.928 -1.712 3.037 1.00 0.00 C ATOM 1016 CD1 ILE A 65 2.479 0.686 4.009 1.00 0.00 C ATOM 0 H ILE A 65 3.466 -0.401 0.158 1.00 0.00 H new ATOM 0 HA ILE A 65 3.104 -2.776 1.801 1.00 0.00 H new ATOM 0 HB ILE A 65 1.463 -0.229 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.549 -1.118 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.777 0.127 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.473 -0.995 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.158 -2.144 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.410 -2.504 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.292 1.110 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.988 1.479 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.757 0.214 4.675 1.00 0.00 H new ATOM 1028 N ASN A 66 1.672 -3.924 0.126 1.00 0.00 N ATOM 1029 CA ASN A 66 0.769 -4.655 -0.743 1.00 0.00 C ATOM 1030 C ASN A 66 -0.542 -4.935 -0.027 1.00 0.00 C ATOM 1031 O ASN A 66 -0.706 -5.972 0.622 1.00 0.00 O ATOM 1032 CB ASN A 66 1.418 -5.962 -1.214 1.00 0.00 C ATOM 1033 CG ASN A 66 2.651 -5.725 -2.071 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.736 -4.741 -2.807 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.618 -6.625 -1.981 1.00 0.00 N ATOM 0 H ASN A 66 2.381 -4.502 0.577 1.00 0.00 H new ATOM 0 HA ASN A 66 0.559 -4.043 -1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.693 -6.561 -0.346 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.690 -6.541 -1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.469 -6.516 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.512 -7.427 -1.360 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.455 -3.980 -0.116 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.779 -4.118 0.464 1.00 0.00 C ATOM 1044 C ILE A 67 -3.690 -4.812 -0.532 1.00 0.00 C ATOM 1045 O ILE A 67 -4.081 -4.227 -1.538 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.371 -2.744 0.851 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.512 -2.085 1.932 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.812 -2.890 1.326 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -3.011 -0.723 2.364 1.00 0.00 C ATOM 0 H ILE A 67 -1.298 -3.091 -0.591 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.698 -4.713 1.374 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.370 -2.106 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.474 -2.740 2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.491 -1.987 1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.208 -1.910 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.416 -3.320 0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.843 -3.544 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.351 -0.320 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.022 -0.051 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.020 -0.816 2.765 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.010 -6.059 -0.257 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.765 -6.869 -1.197 1.00 0.00 C ATOM 1063 C ILE A 68 -6.248 -6.817 -0.860 1.00 0.00 C ATOM 1064 O ILE A 68 -6.621 -6.803 0.309 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.275 -8.338 -1.186 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.785 -8.395 -1.537 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.084 -9.192 -2.158 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.187 -9.783 -1.440 1.00 0.00 C ATOM 0 H ILE A 68 -3.760 -6.536 0.609 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.607 -6.462 -2.196 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.420 -8.742 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.645 -8.019 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.239 -7.727 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.719 -10.219 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.135 -9.173 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.976 -8.795 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.130 -9.743 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.294 -10.155 -0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.707 -10.452 -2.126 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.085 -6.754 -1.881 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.519 -6.751 -1.683 1.00 0.00 C ATOM 1082 C TYR A 69 -9.172 -7.933 -2.384 1.00 0.00 C ATOM 1083 O TYR A 69 -8.955 -8.176 -3.572 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.140 -5.438 -2.163 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.955 -4.293 -1.192 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -9.483 -4.362 0.092 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -8.262 -3.146 -1.553 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -9.325 -3.323 0.987 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -8.100 -2.102 -0.664 1.00 0.00 C ATOM 1090 CZ TYR A 69 -8.634 -2.194 0.605 1.00 0.00 C ATOM 1091 OH TYR A 69 -8.472 -1.157 1.496 1.00 0.00 O ATOM 0 H TYR A 69 -6.793 -6.704 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.702 -6.844 -0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.699 -5.166 -3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.206 -5.590 -2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.027 -5.245 0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.843 -3.069 -2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.741 -3.395 1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.557 -1.217 -0.961 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.855 -0.338 1.118 1.00 0.00 H new ATOM 1101 N GLN A 70 -9.974 -8.657 -1.626 1.00 0.00 N ATOM 1102 CA GLN A 70 -10.705 -9.799 -2.132 1.00 0.00 C ATOM 1103 C GLN A 70 -12.069 -9.344 -2.628 1.00 0.00 C ATOM 1104 O GLN A 70 -12.734 -8.528 -1.983 1.00 0.00 O ATOM 1105 CB GLN A 70 -10.874 -10.847 -1.029 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.543 -12.128 -1.496 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.802 -13.103 -0.365 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -12.043 -12.705 0.775 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -11.730 -14.387 -0.667 1.00 0.00 N ATOM 0 H GLN A 70 -10.136 -8.467 -0.637 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.149 -10.246 -2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.894 -11.089 -0.618 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.462 -10.416 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.488 -11.883 -1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.914 -12.608 -2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.528 -14.675 -1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.876 -15.090 0.057 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.474 -9.865 -3.771 1.00 0.00 N ATOM 1119 CA LYS A 71 -13.743 -9.486 -4.376 1.00 0.00 C ATOM 1120 C LYS A 71 -14.916 -9.926 -3.503 1.00 0.00 C ATOM 1121 O LYS A 71 -15.148 -11.121 -3.324 1.00 0.00 O ATOM 1122 CB LYS A 71 -13.872 -10.121 -5.762 1.00 0.00 C ATOM 1123 CG LYS A 71 -12.742 -9.765 -6.715 1.00 0.00 C ATOM 1124 CD LYS A 71 -12.876 -10.524 -8.026 1.00 0.00 C ATOM 1125 CE LYS A 71 -11.769 -10.172 -9.008 1.00 0.00 C ATOM 1126 NZ LYS A 71 -10.417 -10.492 -8.477 1.00 0.00 N ATOM 0 H LYS A 71 -11.943 -10.554 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.764 -8.400 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.912 -11.205 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.818 -9.811 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.749 -8.692 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.783 -9.999 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.856 -11.596 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.843 -10.301 -8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.928 -10.714 -9.940 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.821 -9.109 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.764 -10.662 -9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.070 -9.694 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.470 -11.344 -7.883 1.00 0.00 H new ATOM 1140 N LYS A 72 -15.643 -8.959 -2.944 1.00 0.00 N ATOM 1141 CA LYS A 72 -16.875 -9.263 -2.221 1.00 0.00 C ATOM 1142 C LYS A 72 -17.956 -9.671 -3.210 1.00 0.00 C ATOM 1143 O LYS A 72 -18.931 -10.329 -2.850 1.00 0.00 O ATOM 1144 CB LYS A 72 -17.349 -8.068 -1.389 1.00 0.00 C ATOM 1145 CG LYS A 72 -16.520 -7.817 -0.139 1.00 0.00 C ATOM 1146 CD LYS A 72 -17.004 -6.580 0.601 1.00 0.00 C ATOM 1147 CE LYS A 72 -16.245 -6.339 1.898 1.00 0.00 C ATOM 1148 NZ LYS A 72 -16.458 -7.420 2.891 1.00 0.00 N ATOM 0 H LYS A 72 -15.403 -7.968 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.673 -10.085 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -17.328 -7.174 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -18.387 -8.230 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.578 -8.684 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.472 -7.694 -0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.897 -5.709 -0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -18.067 -6.685 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.180 -6.254 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.560 -5.388 2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.268 -7.056 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.442 -7.753 2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.813 -8.210 2.687 1.00 0.00 H new