USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 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 42 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00508) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.906 K(o=-0.91,f=-1.8) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc=-0.00822 X(o=-0.0082,f=-0.18) USER MOD Single : A 26 MET CE :methyl -126:sc= -1.27 (180deg=-2.72!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 110:sc= -0.804 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0678) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0284 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -4.53! C(o=-4.5!,f=-10!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.208 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -115:sc= 0 (180deg=-0.0125) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.274 5.694 -5.130 1.00 0.00 N ATOM 98 CA VAL A 10 -1.019 5.108 -4.022 1.00 0.00 C ATOM 99 C VAL A 10 -1.724 3.827 -4.451 1.00 0.00 C ATOM 100 O VAL A 10 -2.474 3.815 -5.428 1.00 0.00 O ATOM 101 CB VAL A 10 -2.062 6.094 -3.464 1.00 0.00 C ATOM 102 CG1 VAL A 10 -2.937 6.636 -4.584 1.00 0.00 C ATOM 103 CG2 VAL A 10 -2.909 5.424 -2.392 1.00 0.00 C ATOM 0 HA VAL A 10 -0.295 4.876 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.536 6.932 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.668 7.331 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.315 7.155 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.456 5.811 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.641 6.135 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.427 4.566 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.267 5.090 -1.577 1.00 0.00 H new ATOM 113 N LEU A 11 -1.480 2.749 -3.714 1.00 0.00 N ATOM 114 CA LEU A 11 -2.093 1.460 -4.017 1.00 0.00 C ATOM 115 C LEU A 11 -3.195 1.132 -3.015 1.00 0.00 C ATOM 116 O LEU A 11 -2.939 0.993 -1.819 1.00 0.00 O ATOM 117 CB LEU A 11 -1.035 0.356 -4.009 1.00 0.00 C ATOM 118 CG LEU A 11 -1.558 -1.077 -4.123 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.984 -1.378 -5.551 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.502 -2.069 -3.658 1.00 0.00 C ATOM 0 H LEU A 11 -0.862 2.742 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.538 1.521 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.345 0.536 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.459 0.439 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.430 -1.177 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.353 -2.402 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.775 -0.689 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.130 -1.260 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.892 -3.083 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.390 -1.968 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.247 -1.868 -2.618 1.00 0.00 H new ATOM 132 N ASP A 12 -4.421 1.007 -3.511 1.00 0.00 N ATOM 133 CA ASP A 12 -5.562 0.691 -2.660 1.00 0.00 C ATOM 134 C ASP A 12 -5.647 -0.809 -2.399 1.00 0.00 C ATOM 135 O ASP A 12 -5.953 -1.591 -3.301 1.00 0.00 O ATOM 136 CB ASP A 12 -6.858 1.184 -3.305 1.00 0.00 C ATOM 137 CG ASP A 12 -7.329 0.276 -4.424 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.081 -0.679 -4.136 1.00 0.00 O ATOM 139 OD2 ASP A 12 -6.946 0.519 -5.587 1.00 0.00 O ATOM 0 H ASP A 12 -4.650 1.120 -4.499 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.424 1.199 -1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.636 1.252 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.706 2.190 -3.697 1.00 0.00 H new ATOM 144 N LEU A 13 -5.372 -1.206 -1.162 1.00 0.00 N ATOM 145 CA LEU A 13 -5.417 -2.614 -0.782 1.00 0.00 C ATOM 146 C LEU A 13 -6.818 -3.012 -0.330 1.00 0.00 C ATOM 147 O LEU A 13 -7.233 -4.160 -0.497 1.00 0.00 O ATOM 148 CB LEU A 13 -4.410 -2.893 0.335 1.00 0.00 C ATOM 149 CG LEU A 13 -2.935 -2.867 -0.068 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.054 -3.266 1.105 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.691 -3.783 -1.258 1.00 0.00 C ATOM 0 H LEU A 13 -5.115 -0.573 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.155 -3.209 -1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.563 -2.159 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.632 -3.871 0.761 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.676 -1.849 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.008 -3.242 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.207 -2.569 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.314 -4.274 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.636 -3.752 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.968 -4.804 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.294 -3.451 -2.103 1.00 0.00 H new ATOM 163 N HIS A 14 -7.544 -2.057 0.241 1.00 0.00 N ATOM 164 CA HIS A 14 -8.901 -2.307 0.715 1.00 0.00 C ATOM 165 C HIS A 14 -9.770 -2.875 -0.403 1.00 0.00 C ATOM 166 O HIS A 14 -9.914 -2.265 -1.462 1.00 0.00 O ATOM 167 CB HIS A 14 -9.521 -1.018 1.255 1.00 0.00 C ATOM 168 CG HIS A 14 -10.248 -0.222 0.215 1.00 0.00 C ATOM 169 ND1 HIS A 14 -9.619 0.354 -0.868 1.00 0.00 N ATOM 170 CD2 HIS A 14 -11.560 0.091 0.096 1.00 0.00 C ATOM 171 CE1 HIS A 14 -10.511 0.989 -1.607 1.00 0.00 C ATOM 172 NE2 HIS A 14 -11.697 0.844 -1.044 1.00 0.00 N ATOM 0 H HIS A 14 -7.216 -1.102 0.387 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.850 -3.040 1.520 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.213 -1.267 2.060 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.735 -0.401 1.690 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.351 -0.198 0.772 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.306 1.534 -2.517 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.573 1.229 -1.399 1.00 0.00 H new ATOM 180 N GLY A 15 -10.348 -4.048 -0.160 1.00 0.00 N ATOM 181 CA GLY A 15 -11.195 -4.678 -1.156 1.00 0.00 C ATOM 182 C GLY A 15 -10.674 -6.035 -1.585 1.00 0.00 C ATOM 183 O GLY A 15 -11.450 -6.968 -1.796 1.00 0.00 O ATOM 0 H GLY A 15 -10.245 -4.573 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.202 -4.789 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.270 -4.029 -2.028 1.00 0.00 H new ATOM 187 N LEU A 16 -9.356 -6.147 -1.715 1.00 0.00 N ATOM 188 CA LEU A 16 -8.732 -7.401 -2.124 1.00 0.00 C ATOM 189 C LEU A 16 -8.510 -8.315 -0.923 1.00 0.00 C ATOM 190 O LEU A 16 -8.731 -7.919 0.222 1.00 0.00 O ATOM 191 CB LEU A 16 -7.399 -7.125 -2.822 1.00 0.00 C ATOM 192 CG LEU A 16 -7.488 -6.588 -4.251 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.269 -5.740 -4.579 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.627 -7.733 -5.244 1.00 0.00 C ATOM 0 H LEU A 16 -8.700 -5.385 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.403 -7.903 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.838 -6.409 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.822 -8.050 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.374 -5.958 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.350 -5.366 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.214 -4.899 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.368 -6.346 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.689 -7.332 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.760 -8.389 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.532 -8.299 -5.022 1.00 0.00 H new ATOM 206 N HIS A 17 -8.072 -9.541 -1.192 1.00 0.00 N ATOM 207 CA HIS A 17 -7.817 -10.512 -0.134 1.00 0.00 C ATOM 208 C HIS A 17 -6.393 -10.378 0.395 1.00 0.00 C ATOM 209 O HIS A 17 -5.450 -10.183 -0.372 1.00 0.00 O ATOM 210 CB HIS A 17 -8.052 -11.932 -0.648 1.00 0.00 C ATOM 211 CG HIS A 17 -8.316 -12.927 0.439 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.472 -13.983 0.715 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.336 -13.023 1.323 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.963 -14.685 1.720 1.00 0.00 C ATOM 215 NE2 HIS A 17 -9.093 -14.123 2.108 1.00 0.00 N ATOM 0 H HIS A 17 -7.886 -9.886 -2.134 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.509 -10.311 0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.897 -11.925 -1.336 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.180 -12.252 -1.218 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.184 -12.358 1.397 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.516 -15.569 2.151 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.689 -14.452 2.868 1.00 0.00 H new ATOM 223 N VAL A 18 -6.243 -10.483 1.712 1.00 0.00 N ATOM 224 CA VAL A 18 -4.934 -10.374 2.344 1.00 0.00 C ATOM 225 C VAL A 18 -3.843 -10.957 1.452 1.00 0.00 C ATOM 226 O VAL A 18 -2.848 -10.295 1.157 1.00 0.00 O ATOM 227 CB VAL A 18 -4.906 -11.092 3.706 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.489 -11.139 4.256 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.845 -10.407 4.688 1.00 0.00 C ATOM 0 H VAL A 18 -7.013 -10.644 2.362 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.745 -9.312 2.498 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.249 -12.117 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.489 -11.650 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.846 -11.677 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.115 -10.123 4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.813 -10.927 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.534 -9.372 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.862 -10.431 4.296 1.00 0.00 H new ATOM 239 N ASP A 19 -4.038 -12.200 1.025 1.00 0.00 N ATOM 240 CA ASP A 19 -3.072 -12.873 0.165 1.00 0.00 C ATOM 241 C ASP A 19 -2.783 -12.044 -1.082 1.00 0.00 C ATOM 242 O ASP A 19 -1.630 -11.879 -1.476 1.00 0.00 O ATOM 243 CB ASP A 19 -3.589 -14.256 -0.235 1.00 0.00 C ATOM 244 CG ASP A 19 -2.560 -15.058 -1.006 1.00 0.00 C ATOM 245 OD1 ASP A 19 -2.227 -14.660 -2.142 1.00 0.00 O ATOM 246 OD2 ASP A 19 -2.088 -16.085 -0.475 1.00 0.00 O ATOM 0 H ASP A 19 -4.856 -12.762 1.260 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.144 -12.989 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.877 -14.806 0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.487 -14.143 -0.842 1.00 0.00 H new ATOM 251 N GLU A 20 -3.841 -11.524 -1.698 1.00 0.00 N ATOM 252 CA GLU A 20 -3.700 -10.713 -2.902 1.00 0.00 C ATOM 253 C GLU A 20 -3.020 -9.384 -2.586 1.00 0.00 C ATOM 254 O GLU A 20 -1.971 -9.064 -3.145 1.00 0.00 O ATOM 255 CB GLU A 20 -5.070 -10.459 -3.536 1.00 0.00 C ATOM 256 CG GLU A 20 -5.580 -11.623 -4.369 1.00 0.00 C ATOM 257 CD GLU A 20 -6.181 -12.728 -3.521 1.00 0.00 C ATOM 258 OE1 GLU A 20 -5.460 -13.277 -2.663 1.00 0.00 O ATOM 259 OE2 GLU A 20 -7.374 -13.042 -3.718 1.00 0.00 O ATOM 0 H GLU A 20 -4.803 -11.650 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.077 -11.262 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.791 -10.244 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.011 -9.571 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.330 -11.261 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.759 -12.029 -4.960 1.00 0.00 H new ATOM 266 N ALA A 21 -3.625 -8.615 -1.688 1.00 0.00 N ATOM 267 CA ALA A 21 -3.078 -7.322 -1.297 1.00 0.00 C ATOM 268 C ALA A 21 -1.567 -7.400 -1.107 1.00 0.00 C ATOM 269 O ALA A 21 -0.823 -6.560 -1.616 1.00 0.00 O ATOM 270 CB ALA A 21 -3.747 -6.829 -0.022 1.00 0.00 C ATOM 0 H ALA A 21 -4.495 -8.865 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.281 -6.612 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.328 -5.862 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.819 -6.725 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.573 -7.546 0.781 1.00 0.00 H new ATOM 276 N LEU A 22 -1.119 -8.411 -0.371 1.00 0.00 N ATOM 277 CA LEU A 22 0.304 -8.598 -0.114 1.00 0.00 C ATOM 278 C LEU A 22 1.095 -8.627 -1.418 1.00 0.00 C ATOM 279 O LEU A 22 1.911 -7.744 -1.679 1.00 0.00 O ATOM 280 CB LEU A 22 0.535 -9.895 0.665 1.00 0.00 C ATOM 281 CG LEU A 22 0.472 -9.783 2.189 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.599 -11.156 2.830 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.561 -8.851 2.701 1.00 0.00 C ATOM 0 H LEU A 22 -1.721 -9.114 0.058 1.00 0.00 H new ATOM 0 HA LEU A 22 0.654 -7.755 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.207 -10.626 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.512 -10.291 0.390 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.496 -9.364 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.552 -11.057 3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.216 -11.794 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.552 -11.603 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.501 -8.783 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.538 -9.241 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.425 -7.860 2.268 1.00 0.00 H new ATOM 295 N GLU A 23 0.844 -9.647 -2.233 1.00 0.00 N ATOM 296 CA GLU A 23 1.532 -9.789 -3.511 1.00 0.00 C ATOM 297 C GLU A 23 1.642 -8.444 -4.222 1.00 0.00 C ATOM 298 O GLU A 23 2.676 -8.121 -4.808 1.00 0.00 O ATOM 299 CB GLU A 23 0.796 -10.791 -4.403 1.00 0.00 C ATOM 300 CG GLU A 23 1.232 -12.231 -4.189 1.00 0.00 C ATOM 301 CD GLU A 23 2.729 -12.416 -4.343 1.00 0.00 C ATOM 302 OE1 GLU A 23 3.270 -12.034 -5.402 1.00 0.00 O ATOM 303 OE2 GLU A 23 3.361 -12.944 -3.403 1.00 0.00 O ATOM 0 H GLU A 23 0.170 -10.386 -2.031 1.00 0.00 H new ATOM 0 HA GLU A 23 2.538 -10.159 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.275 -10.713 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.958 -10.523 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.930 -12.554 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.715 -12.873 -4.902 1.00 0.00 H new ATOM 310 N HIS A 24 0.568 -7.662 -4.167 1.00 0.00 N ATOM 311 CA HIS A 24 0.543 -6.351 -4.806 1.00 0.00 C ATOM 312 C HIS A 24 1.487 -5.384 -4.098 1.00 0.00 C ATOM 313 O HIS A 24 2.124 -4.544 -4.734 1.00 0.00 O ATOM 314 CB HIS A 24 -0.878 -5.787 -4.805 1.00 0.00 C ATOM 315 CG HIS A 24 -1.697 -6.226 -5.980 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.336 -5.970 -7.287 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.864 -6.909 -6.041 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.247 -6.475 -8.099 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.184 -7.051 -7.368 1.00 0.00 N ATOM 0 H HIS A 24 -0.296 -7.914 -3.687 1.00 0.00 H new ATOM 0 HA HIS A 24 0.878 -6.470 -5.836 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.381 -6.093 -3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.828 -4.698 -4.794 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.437 -7.274 -5.201 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.229 -6.425 -9.178 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.011 -7.525 -7.731 1.00 0.00 H new ATOM 327 N LEU A 25 1.571 -5.507 -2.778 1.00 0.00 N ATOM 328 CA LEU A 25 2.437 -4.643 -1.982 1.00 0.00 C ATOM 329 C LEU A 25 3.904 -4.869 -2.335 1.00 0.00 C ATOM 330 O LEU A 25 4.703 -3.933 -2.335 1.00 0.00 O ATOM 331 CB LEU A 25 2.214 -4.898 -0.491 1.00 0.00 C ATOM 332 CG LEU A 25 3.068 -4.068 0.468 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.358 -2.773 0.831 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.396 -4.868 1.720 1.00 0.00 C ATOM 0 H LEU A 25 1.050 -6.196 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 25 2.183 -3.607 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.164 -4.712 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.401 -5.953 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 25 4.003 -3.817 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.981 -2.196 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.176 -2.192 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.407 -3.002 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.004 -4.261 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.472 -5.150 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.947 -5.767 1.443 1.00 0.00 H new ATOM 346 N MET A 26 4.249 -6.116 -2.636 1.00 0.00 N ATOM 347 CA MET A 26 5.620 -6.464 -2.993 1.00 0.00 C ATOM 348 C MET A 26 5.939 -6.021 -4.417 1.00 0.00 C ATOM 349 O MET A 26 7.003 -5.459 -4.679 1.00 0.00 O ATOM 350 CB MET A 26 5.839 -7.972 -2.855 1.00 0.00 C ATOM 351 CG MET A 26 5.612 -8.492 -1.445 1.00 0.00 C ATOM 352 SD MET A 26 5.636 -10.292 -1.356 1.00 0.00 S ATOM 353 CE MET A 26 3.945 -10.630 -0.872 1.00 0.00 C ATOM 0 H MET A 26 3.599 -6.902 -2.640 1.00 0.00 H new ATOM 0 HA MET A 26 6.290 -5.943 -2.310 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.168 -8.492 -3.538 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.856 -8.213 -3.163 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.381 -8.089 -0.785 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.653 -8.127 -1.077 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.940 -11.248 0.026 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.430 -9.691 -0.669 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.434 -11.157 -1.678 1.00 0.00 H new ATOM 363 N ARG A 27 5.011 -6.277 -5.334 1.00 0.00 N ATOM 364 CA ARG A 27 5.195 -5.905 -6.732 1.00 0.00 C ATOM 365 C ARG A 27 5.267 -4.389 -6.886 1.00 0.00 C ATOM 366 O ARG A 27 6.076 -3.870 -7.655 1.00 0.00 O ATOM 367 CB ARG A 27 4.054 -6.462 -7.584 1.00 0.00 C ATOM 368 CG ARG A 27 4.289 -7.885 -8.063 1.00 0.00 C ATOM 369 CD ARG A 27 3.390 -8.233 -9.239 1.00 0.00 C ATOM 370 NE ARG A 27 3.532 -9.630 -9.642 1.00 0.00 N ATOM 371 CZ ARG A 27 4.514 -10.075 -10.417 1.00 0.00 C ATOM 372 NH1 ARG A 27 5.436 -9.238 -10.872 1.00 0.00 N ATOM 373 NH2 ARG A 27 4.575 -11.361 -10.740 1.00 0.00 N ATOM 0 H ARG A 27 4.125 -6.740 -5.134 1.00 0.00 H new ATOM 0 HA ARG A 27 6.137 -6.332 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.131 -6.430 -7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.910 -5.816 -8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.333 -8.004 -8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.105 -8.581 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.352 -8.036 -8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.630 -7.586 -10.083 1.00 0.00 H new ATOM 0 HE ARG A 27 2.839 -10.300 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.392 -8.249 -10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.189 -9.583 -11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.867 -12.008 -10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.330 -11.702 -11.335 1.00 0.00 H new ATOM 387 N VAL A 28 4.414 -3.683 -6.151 1.00 0.00 N ATOM 388 CA VAL A 28 4.381 -2.226 -6.205 1.00 0.00 C ATOM 389 C VAL A 28 5.575 -1.622 -5.475 1.00 0.00 C ATOM 390 O VAL A 28 6.047 -0.539 -5.825 1.00 0.00 O ATOM 391 CB VAL A 28 3.082 -1.671 -5.590 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.877 -2.090 -6.419 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.935 -2.135 -4.149 1.00 0.00 C ATOM 0 H VAL A 28 3.736 -4.096 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 28 4.424 -1.947 -7.258 1.00 0.00 H new ATOM 0 HB VAL A 28 3.135 -0.582 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.969 -1.689 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.981 -1.704 -7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.817 -3.178 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.012 -1.734 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.904 -3.224 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.783 -1.780 -3.564 1.00 0.00 H new ATOM 403 N LEU A 29 6.059 -2.327 -4.459 1.00 0.00 N ATOM 404 CA LEU A 29 7.200 -1.861 -3.679 1.00 0.00 C ATOM 405 C LEU A 29 8.458 -1.794 -4.539 1.00 0.00 C ATOM 406 O LEU A 29 9.312 -0.931 -4.340 1.00 0.00 O ATOM 407 CB LEU A 29 7.436 -2.784 -2.481 1.00 0.00 C ATOM 408 CG LEU A 29 6.722 -2.397 -1.185 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.792 -3.534 -0.178 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.327 -1.128 -0.602 1.00 0.00 C ATOM 0 H LEU A 29 5.679 -3.224 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 29 6.975 -0.857 -3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.125 -3.791 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.507 -2.824 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 29 5.674 -2.205 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.279 -3.241 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.312 -4.420 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.835 -3.758 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.807 -0.867 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.383 -1.293 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.225 -0.313 -1.319 1.00 0.00 H new ATOM 422 N GLU A 30 8.563 -2.710 -5.497 1.00 0.00 N ATOM 423 CA GLU A 30 9.716 -2.753 -6.388 1.00 0.00 C ATOM 424 C GLU A 30 9.423 -2.018 -7.693 1.00 0.00 C ATOM 425 O GLU A 30 10.306 -1.389 -8.276 1.00 0.00 O ATOM 426 CB GLU A 30 10.107 -4.203 -6.683 1.00 0.00 C ATOM 427 CG GLU A 30 10.781 -4.902 -5.514 1.00 0.00 C ATOM 428 CD GLU A 30 11.596 -6.106 -5.946 1.00 0.00 C ATOM 429 OE1 GLU A 30 11.019 -7.210 -6.035 1.00 0.00 O ATOM 430 OE2 GLU A 30 12.809 -5.944 -6.194 1.00 0.00 O ATOM 0 H GLU A 30 7.864 -3.431 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 30 10.547 -2.255 -5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.214 -4.761 -6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.777 -4.222 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.430 -4.195 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.022 -5.219 -4.799 1.00 0.00 H new ATOM 437 N LYS A 31 8.177 -2.103 -8.146 1.00 0.00 N ATOM 438 CA LYS A 31 7.765 -1.447 -9.381 1.00 0.00 C ATOM 439 C LYS A 31 7.677 0.064 -9.191 1.00 0.00 C ATOM 440 O LYS A 31 8.077 0.834 -10.064 1.00 0.00 O ATOM 441 CB LYS A 31 6.412 -1.992 -9.845 1.00 0.00 C ATOM 442 CG LYS A 31 5.791 -1.193 -10.978 1.00 0.00 C ATOM 443 CD LYS A 31 4.866 -2.052 -11.824 1.00 0.00 C ATOM 444 CE LYS A 31 5.613 -2.712 -12.973 1.00 0.00 C ATOM 445 NZ LYS A 31 4.701 -3.496 -13.850 1.00 0.00 N ATOM 0 H LYS A 31 7.434 -2.620 -7.676 1.00 0.00 H new ATOM 0 HA LYS A 31 8.516 -1.657 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.537 -3.026 -10.167 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.724 -2.002 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.233 -0.351 -10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.579 -0.778 -11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.407 -2.818 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.058 -1.437 -12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.118 -1.948 -13.564 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.386 -3.368 -12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.248 -3.930 -14.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.238 -4.241 -13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.978 -2.865 -14.251 1.00 0.00 H new ATOM 459 N LYS A 32 7.154 0.482 -8.043 1.00 0.00 N ATOM 460 CA LYS A 32 7.016 1.901 -7.737 1.00 0.00 C ATOM 461 C LYS A 32 8.383 2.553 -7.554 1.00 0.00 C ATOM 462 O LYS A 32 8.722 3.515 -8.245 1.00 0.00 O ATOM 463 CB LYS A 32 6.175 2.092 -6.472 1.00 0.00 C ATOM 464 CG LYS A 32 4.751 1.581 -6.606 1.00 0.00 C ATOM 465 CD LYS A 32 3.870 2.572 -7.347 1.00 0.00 C ATOM 466 CE LYS A 32 2.547 1.945 -7.756 1.00 0.00 C ATOM 467 NZ LYS A 32 2.631 1.293 -9.093 1.00 0.00 N ATOM 0 H LYS A 32 6.819 -0.142 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 32 6.513 2.381 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.660 1.578 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.150 3.152 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.754 0.628 -7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.336 1.394 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.682 3.438 -6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.392 2.933 -8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.249 1.208 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.772 2.711 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.709 0.878 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.891 2.001 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.352 0.544 -9.069 1.00 0.00 H new ATOM 481 N THR A 33 9.167 2.023 -6.620 1.00 0.00 N ATOM 482 CA THR A 33 10.497 2.553 -6.347 1.00 0.00 C ATOM 483 C THR A 33 11.305 2.698 -7.631 1.00 0.00 C ATOM 484 O THR A 33 12.174 3.563 -7.733 1.00 0.00 O ATOM 485 CB THR A 33 11.270 1.652 -5.365 1.00 0.00 C ATOM 486 OG1 THR A 33 12.511 2.269 -5.008 1.00 0.00 O ATOM 487 CG2 THR A 33 11.535 0.286 -5.979 1.00 0.00 C ATOM 0 H THR A 33 8.903 1.227 -6.040 1.00 0.00 H new ATOM 0 HA THR A 33 10.360 3.535 -5.895 1.00 0.00 H new ATOM 0 HB THR A 33 10.661 1.519 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.996 1.691 -4.382 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.082 -0.333 -5.268 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.587 -0.193 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.126 0.404 -6.887 1.00 0.00 H new ATOM 495 N GLU A 34 11.012 1.845 -8.608 1.00 0.00 N ATOM 496 CA GLU A 34 11.714 1.880 -9.886 1.00 0.00 C ATOM 497 C GLU A 34 11.516 3.224 -10.580 1.00 0.00 C ATOM 498 O GLU A 34 12.482 3.908 -10.916 1.00 0.00 O ATOM 499 CB GLU A 34 11.223 0.749 -10.793 1.00 0.00 C ATOM 500 CG GLU A 34 11.715 0.861 -12.226 1.00 0.00 C ATOM 501 CD GLU A 34 13.228 0.838 -12.327 1.00 0.00 C ATOM 502 OE1 GLU A 34 13.885 1.595 -11.582 1.00 0.00 O ATOM 503 OE2 GLU A 34 13.755 0.062 -13.152 1.00 0.00 O ATOM 0 H GLU A 34 10.295 1.123 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 34 12.778 1.745 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.550 -0.205 -10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.133 0.741 -10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.303 0.040 -12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.339 1.786 -12.664 1.00 0.00 H new ATOM 510 N GLU A 35 10.257 3.595 -10.790 1.00 0.00 N ATOM 511 CA GLU A 35 9.932 4.857 -11.445 1.00 0.00 C ATOM 512 C GLU A 35 10.278 6.041 -10.546 1.00 0.00 C ATOM 513 O GLU A 35 10.490 7.156 -11.023 1.00 0.00 O ATOM 514 CB GLU A 35 8.447 4.899 -11.813 1.00 0.00 C ATOM 515 CG GLU A 35 7.532 5.147 -10.626 1.00 0.00 C ATOM 516 CD GLU A 35 6.238 5.832 -11.021 1.00 0.00 C ATOM 517 OE1 GLU A 35 6.224 6.522 -12.061 1.00 0.00 O ATOM 518 OE2 GLU A 35 5.239 5.677 -10.288 1.00 0.00 O ATOM 0 H GLU A 35 9.446 3.040 -10.516 1.00 0.00 H new ATOM 0 HA GLU A 35 10.527 4.928 -12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.287 5.682 -12.554 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.171 3.955 -12.283 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.303 4.197 -10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.054 5.760 -9.891 1.00 0.00 H new ATOM 525 N PHE A 36 10.331 5.791 -9.242 1.00 0.00 N ATOM 526 CA PHE A 36 10.650 6.835 -8.276 1.00 0.00 C ATOM 527 C PHE A 36 12.073 7.346 -8.476 1.00 0.00 C ATOM 528 O PHE A 36 12.352 8.531 -8.290 1.00 0.00 O ATOM 529 CB PHE A 36 10.480 6.308 -6.849 1.00 0.00 C ATOM 530 CG PHE A 36 11.491 6.858 -5.883 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.454 8.190 -5.506 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.477 6.042 -5.353 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.382 8.700 -4.617 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.408 6.545 -4.464 1.00 0.00 C ATOM 535 CZ PHE A 36 13.361 7.876 -4.096 1.00 0.00 C ATOM 0 H PHE A 36 10.157 4.874 -8.830 1.00 0.00 H new ATOM 0 HA PHE A 36 9.961 7.664 -8.434 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.479 6.556 -6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.554 5.221 -6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.691 8.838 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.519 5.001 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.342 9.740 -4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.171 5.898 -4.057 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.088 8.272 -3.402 1.00 0.00 H new ATOM 545 N LYS A 37 12.971 6.443 -8.855 1.00 0.00 N ATOM 546 CA LYS A 37 14.367 6.800 -9.082 1.00 0.00 C ATOM 547 C LYS A 37 14.606 7.159 -10.545 1.00 0.00 C ATOM 548 O LYS A 37 15.419 8.029 -10.855 1.00 0.00 O ATOM 549 CB LYS A 37 15.283 5.644 -8.673 1.00 0.00 C ATOM 550 CG LYS A 37 15.141 5.243 -7.215 1.00 0.00 C ATOM 551 CD LYS A 37 15.511 3.785 -6.999 1.00 0.00 C ATOM 552 CE LYS A 37 15.908 3.518 -5.556 1.00 0.00 C ATOM 553 NZ LYS A 37 16.756 2.301 -5.429 1.00 0.00 N ATOM 0 H LYS A 37 12.757 5.458 -9.012 1.00 0.00 H new ATOM 0 HA LYS A 37 14.597 7.672 -8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.067 4.780 -9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.318 5.926 -8.864 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.779 5.876 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.115 5.411 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.666 3.151 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.335 3.516 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.448 4.379 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.011 3.400 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.005 2.154 -4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.232 1.474 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.625 2.423 -5.988 1.00 0.00 H new ATOM 567 N GLN A 38 13.892 6.483 -11.440 1.00 0.00 N ATOM 568 CA GLN A 38 14.027 6.732 -12.870 1.00 0.00 C ATOM 569 C GLN A 38 13.386 8.062 -13.254 1.00 0.00 C ATOM 570 O GLN A 38 14.040 8.936 -13.820 1.00 0.00 O ATOM 571 CB GLN A 38 13.389 5.595 -13.670 1.00 0.00 C ATOM 572 CG GLN A 38 14.334 4.434 -13.936 1.00 0.00 C ATOM 573 CD GLN A 38 13.822 3.502 -15.017 1.00 0.00 C ATOM 574 OE1 GLN A 38 14.475 3.305 -16.042 1.00 0.00 O ATOM 575 NE2 GLN A 38 12.649 2.922 -14.792 1.00 0.00 N ATOM 0 H GLN A 38 13.215 5.759 -11.200 1.00 0.00 H new ATOM 0 HA GLN A 38 15.090 6.780 -13.106 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.517 5.226 -13.130 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.032 5.988 -14.622 1.00 0.00 H new ATOM 0 HG2 GLN A 38 15.309 4.824 -14.229 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.480 3.870 -13.014 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.142 3.115 -13.928 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.255 2.284 -15.483 1.00 0.00 H new ATOM 584 N ASN A 39 12.103 8.206 -12.942 1.00 0.00 N ATOM 585 CA ASN A 39 11.373 9.429 -13.255 1.00 0.00 C ATOM 586 C ASN A 39 11.524 10.455 -12.136 1.00 0.00 C ATOM 587 O ASN A 39 12.149 11.499 -12.318 1.00 0.00 O ATOM 588 CB ASN A 39 9.891 9.120 -13.482 1.00 0.00 C ATOM 589 CG ASN A 39 9.041 10.374 -13.540 1.00 0.00 C ATOM 590 OD1 ASN A 39 8.063 10.509 -12.806 1.00 0.00 O ATOM 591 ND2 ASN A 39 9.412 11.300 -14.418 1.00 0.00 N ATOM 0 H ASN A 39 11.547 7.491 -12.473 1.00 0.00 H new ATOM 0 HA ASN A 39 11.794 9.849 -14.168 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.777 8.564 -14.413 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.530 8.476 -12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.878 12.165 -14.503 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.230 11.146 -15.007 1.00 0.00 H new ATOM 598 N GLY A 40 10.948 10.149 -10.978 1.00 0.00 N ATOM 599 CA GLY A 40 11.031 11.053 -9.846 1.00 0.00 C ATOM 600 C GLY A 40 9.684 11.284 -9.189 1.00 0.00 C ATOM 601 O GLY A 40 8.810 11.934 -9.760 1.00 0.00 O ATOM 0 H GLY A 40 10.425 9.291 -10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.726 10.647 -9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.439 12.008 -10.177 1.00 0.00 H new ATOM 605 N GLY A 41 9.516 10.749 -7.983 1.00 0.00 N ATOM 606 CA GLY A 41 8.264 10.909 -7.268 1.00 0.00 C ATOM 607 C GLY A 41 8.459 10.994 -5.768 1.00 0.00 C ATOM 608 O GLY A 41 9.573 11.209 -5.290 1.00 0.00 O ATOM 0 H GLY A 41 10.225 10.208 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.762 11.811 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.608 10.070 -7.499 1.00 0.00 H new ATOM 612 N LYS A 42 7.373 10.826 -5.021 1.00 0.00 N ATOM 613 CA LYS A 42 7.429 10.885 -3.565 1.00 0.00 C ATOM 614 C LYS A 42 8.307 9.768 -3.008 1.00 0.00 C ATOM 615 O LYS A 42 8.257 8.624 -3.460 1.00 0.00 O ATOM 616 CB LYS A 42 6.020 10.782 -2.975 1.00 0.00 C ATOM 617 CG LYS A 42 5.336 9.457 -3.261 1.00 0.00 C ATOM 618 CD LYS A 42 4.221 9.179 -2.267 1.00 0.00 C ATOM 619 CE LYS A 42 3.167 8.254 -2.856 1.00 0.00 C ATOM 620 NZ LYS A 42 1.866 8.369 -2.141 1.00 0.00 N ATOM 0 H LYS A 42 6.443 10.648 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 42 7.866 11.843 -3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.076 10.927 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.408 11.591 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.929 9.467 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.070 8.652 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.639 8.729 -1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.756 10.118 -1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.024 8.491 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.519 7.224 -2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.165 7.748 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.989 8.086 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.534 9.354 -2.181 1.00 0.00 H new ATOM 634 N PRO A 43 9.128 10.105 -2.003 1.00 0.00 N ATOM 635 CA PRO A 43 10.031 9.144 -1.362 1.00 0.00 C ATOM 636 C PRO A 43 9.280 8.109 -0.531 1.00 0.00 C ATOM 637 O PRO A 43 9.883 7.197 0.035 1.00 0.00 O ATOM 638 CB PRO A 43 10.903 10.022 -0.462 1.00 0.00 C ATOM 639 CG PRO A 43 10.067 11.223 -0.180 1.00 0.00 C ATOM 640 CD PRO A 43 9.240 11.450 -1.415 1.00 0.00 C ATOM 0 HA PRO A 43 10.596 8.566 -2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.172 9.502 0.457 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.834 10.295 -0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.432 11.061 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.690 12.090 0.037 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.262 11.865 -1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.722 12.149 -2.099 1.00 0.00 H new ATOM 648 N TYR A 44 7.962 8.255 -0.463 1.00 0.00 N ATOM 649 CA TYR A 44 7.129 7.334 0.300 1.00 0.00 C ATOM 650 C TYR A 44 6.071 6.690 -0.591 1.00 0.00 C ATOM 651 O TYR A 44 5.974 6.995 -1.780 1.00 0.00 O ATOM 652 CB TYR A 44 6.456 8.066 1.463 1.00 0.00 C ATOM 653 CG TYR A 44 5.751 9.338 1.051 1.00 0.00 C ATOM 654 CD1 TYR A 44 6.459 10.518 0.860 1.00 0.00 C ATOM 655 CD2 TYR A 44 4.376 9.360 0.851 1.00 0.00 C ATOM 656 CE1 TYR A 44 5.818 11.683 0.484 1.00 0.00 C ATOM 657 CE2 TYR A 44 3.727 10.520 0.474 1.00 0.00 C ATOM 658 CZ TYR A 44 4.453 11.678 0.292 1.00 0.00 C ATOM 659 OH TYR A 44 3.811 12.836 -0.084 1.00 0.00 O ATOM 0 H TYR A 44 7.447 9.003 -0.927 1.00 0.00 H new ATOM 0 HA TYR A 44 7.771 6.548 0.697 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.735 7.397 1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.208 8.305 2.215 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.529 10.525 1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.805 8.455 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.383 12.592 0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.658 10.520 0.323 1.00 0.00 H new ATOM 0 HH TYR A 44 2.851 12.662 -0.178 1.00 0.00 H new ATOM 669 N LEU A 45 5.279 5.798 -0.006 1.00 0.00 N ATOM 670 CA LEU A 45 4.226 5.109 -0.745 1.00 0.00 C ATOM 671 C LEU A 45 2.943 5.036 0.076 1.00 0.00 C ATOM 672 O LEU A 45 2.956 4.608 1.230 1.00 0.00 O ATOM 673 CB LEU A 45 4.682 3.700 -1.127 1.00 0.00 C ATOM 674 CG LEU A 45 3.815 2.970 -2.154 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.942 3.624 -3.521 1.00 0.00 C ATOM 676 CD2 LEU A 45 4.200 1.499 -2.227 1.00 0.00 C ATOM 0 H LEU A 45 5.346 5.535 0.977 1.00 0.00 H new ATOM 0 HA LEU A 45 4.022 5.677 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.698 3.762 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.724 3.095 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 45 2.774 3.038 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.318 3.091 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.617 4.663 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.982 3.588 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.573 0.995 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.246 1.411 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.057 1.037 -1.250 1.00 0.00 H new ATOM 688 N SER A 46 1.835 5.455 -0.528 1.00 0.00 N ATOM 689 CA SER A 46 0.543 5.438 0.148 1.00 0.00 C ATOM 690 C SER A 46 -0.103 4.060 0.052 1.00 0.00 C ATOM 691 O SER A 46 -0.398 3.574 -1.040 1.00 0.00 O ATOM 692 CB SER A 46 -0.386 6.493 -0.456 1.00 0.00 C ATOM 693 OG SER A 46 -0.111 7.779 0.072 1.00 0.00 O ATOM 0 H SER A 46 1.806 5.810 -1.484 1.00 0.00 H new ATOM 0 HA SER A 46 0.708 5.669 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.267 6.509 -1.539 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.423 6.227 -0.253 1.00 0.00 H new ATOM 0 HG SER A 46 -0.717 8.435 -0.332 1.00 0.00 H new ATOM 699 N VAL A 47 -0.320 3.433 1.204 1.00 0.00 N ATOM 700 CA VAL A 47 -0.931 2.110 1.251 1.00 0.00 C ATOM 701 C VAL A 47 -2.193 2.119 2.107 1.00 0.00 C ATOM 702 O VAL A 47 -2.122 2.182 3.335 1.00 0.00 O ATOM 703 CB VAL A 47 0.047 1.059 1.809 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.649 -0.283 1.976 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.262 0.930 0.903 1.00 0.00 C ATOM 0 H VAL A 47 -0.082 3.820 2.117 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.191 1.845 0.226 1.00 0.00 H new ATOM 0 HB VAL A 47 0.387 1.389 2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.058 -1.013 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.485 -0.176 2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.020 -0.624 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.943 0.183 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.942 0.623 -0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.773 1.891 0.840 1.00 0.00 H new ATOM 715 N ILE A 48 -3.347 2.054 1.451 1.00 0.00 N ATOM 716 CA ILE A 48 -4.625 2.052 2.152 1.00 0.00 C ATOM 717 C ILE A 48 -5.165 0.635 2.308 1.00 0.00 C ATOM 718 O ILE A 48 -5.559 -0.003 1.330 1.00 0.00 O ATOM 719 CB ILE A 48 -5.671 2.910 1.417 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.231 4.376 1.386 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.031 2.774 2.084 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.030 5.227 0.424 1.00 0.00 C ATOM 0 H ILE A 48 -3.423 2.002 0.435 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.444 2.479 3.138 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.754 2.554 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.320 4.795 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.177 4.425 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.760 3.386 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.346 1.731 2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.963 3.107 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.663 6.253 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.922 4.833 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.082 5.209 0.709 1.00 0.00 H new ATOM 734 N THR A 49 -5.181 0.146 3.544 1.00 0.00 N ATOM 735 CA THR A 49 -5.673 -1.196 3.829 1.00 0.00 C ATOM 736 C THR A 49 -7.146 -1.169 4.221 1.00 0.00 C ATOM 737 O THR A 49 -7.921 -2.037 3.821 1.00 0.00 O ATOM 738 CB THR A 49 -4.865 -1.863 4.957 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.102 -1.185 6.196 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.377 -1.845 4.641 1.00 0.00 C ATOM 0 H THR A 49 -4.859 0.660 4.364 1.00 0.00 H new ATOM 0 HA THR A 49 -5.554 -1.777 2.915 1.00 0.00 H new ATOM 0 HB THR A 49 -5.190 -2.900 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.629 -1.761 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.827 -2.322 5.452 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.196 -2.386 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.041 -0.814 4.531 1.00 0.00 H new ATOM 885 N ARG A 61 -7.829 -8.064 8.401 1.00 0.00 N ATOM 886 CA ARG A 61 -6.782 -9.074 8.316 1.00 0.00 C ATOM 887 C ARG A 61 -5.673 -8.629 7.367 1.00 0.00 C ATOM 888 O ARG A 61 -4.622 -9.265 7.282 1.00 0.00 O ATOM 889 CB ARG A 61 -7.366 -10.407 7.845 1.00 0.00 C ATOM 890 CG ARG A 61 -8.031 -11.206 8.954 1.00 0.00 C ATOM 891 CD ARG A 61 -7.003 -11.794 9.909 1.00 0.00 C ATOM 892 NE ARG A 61 -7.630 -12.555 10.986 1.00 0.00 N ATOM 893 CZ ARG A 61 -8.137 -11.998 12.080 1.00 0.00 C ATOM 894 NH1 ARG A 61 -8.092 -10.682 12.240 1.00 0.00 N ATOM 895 NH2 ARG A 61 -8.692 -12.757 13.017 1.00 0.00 N ATOM 0 HA ARG A 61 -6.356 -9.203 9.311 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.096 -10.217 7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.570 -11.007 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.717 -10.563 9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.627 -12.009 8.519 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.323 -12.442 9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.402 -10.990 10.335 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.681 -13.569 10.893 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.667 -10.095 11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.482 -10.257 13.081 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.729 -13.769 12.897 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.081 -12.328 13.857 1.00 0.00 H new ATOM 909 N ILE A 62 -5.915 -7.534 6.654 1.00 0.00 N ATOM 910 CA ILE A 62 -4.937 -7.004 5.712 1.00 0.00 C ATOM 911 C ILE A 62 -3.850 -6.215 6.434 1.00 0.00 C ATOM 912 O ILE A 62 -2.687 -6.619 6.459 1.00 0.00 O ATOM 913 CB ILE A 62 -5.603 -6.096 4.661 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.606 -6.895 3.827 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.549 -5.460 3.767 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.408 -6.043 2.867 1.00 0.00 C ATOM 0 H ILE A 62 -6.780 -6.997 6.711 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.487 -7.860 5.208 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.141 -5.301 5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.070 -7.658 3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.290 -7.416 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.035 -4.821 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.870 -4.862 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.986 -6.241 3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.099 -6.675 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.971 -5.296 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.733 -5.543 2.173 1.00 0.00 H new ATOM 928 N LYS A 63 -4.236 -5.088 7.023 1.00 0.00 N ATOM 929 CA LYS A 63 -3.296 -4.243 7.749 1.00 0.00 C ATOM 930 C LYS A 63 -2.316 -5.088 8.556 1.00 0.00 C ATOM 931 O LYS A 63 -1.100 -4.911 8.483 1.00 0.00 O ATOM 932 CB LYS A 63 -4.049 -3.289 8.678 1.00 0.00 C ATOM 933 CG LYS A 63 -3.467 -1.886 8.712 1.00 0.00 C ATOM 934 CD LYS A 63 -4.283 -0.965 9.603 1.00 0.00 C ATOM 935 CE LYS A 63 -4.090 -1.298 11.074 1.00 0.00 C ATOM 936 NZ LYS A 63 -5.269 -0.900 11.892 1.00 0.00 N ATOM 0 H LYS A 63 -5.194 -4.739 7.011 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.732 -3.661 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.090 -3.234 8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.044 -3.700 9.688 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.439 -1.926 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.434 -1.480 7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.992 0.070 9.422 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.339 -1.049 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.916 -2.368 11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.201 -0.790 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.098 -1.144 12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.420 0.125 11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.113 -1.403 11.552 1.00 0.00 H new ATOM 950 N PRO A 64 -2.855 -6.029 9.345 1.00 0.00 N ATOM 951 CA PRO A 64 -2.045 -6.922 10.180 1.00 0.00 C ATOM 952 C PRO A 64 -0.887 -7.545 9.408 1.00 0.00 C ATOM 953 O PRO A 64 0.272 -7.425 9.804 1.00 0.00 O ATOM 954 CB PRO A 64 -3.040 -8.000 10.615 1.00 0.00 C ATOM 955 CG PRO A 64 -4.371 -7.333 10.561 1.00 0.00 C ATOM 956 CD PRO A 64 -4.297 -6.296 9.482 1.00 0.00 C ATOM 0 HA PRO A 64 -1.580 -6.392 11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.003 -8.864 9.951 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.819 -8.361 11.620 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.157 -8.057 10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.612 -6.875 11.520 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.726 -6.660 8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.846 -5.395 9.756 1.00 0.00 H new ATOM 964 N ALA A 65 -1.209 -8.211 8.303 1.00 0.00 N ATOM 965 CA ALA A 65 -0.195 -8.851 7.475 1.00 0.00 C ATOM 966 C ALA A 65 0.853 -7.844 7.014 1.00 0.00 C ATOM 967 O ALA A 65 2.040 -7.988 7.310 1.00 0.00 O ATOM 968 CB ALA A 65 -0.843 -9.527 6.276 1.00 0.00 C ATOM 0 H ALA A 65 -2.164 -8.321 7.961 1.00 0.00 H new ATOM 0 HA ALA A 65 0.307 -9.608 8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.074 -10.001 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.549 -10.282 6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.371 -8.783 5.680 1.00 0.00 H new ATOM 974 N VAL A 66 0.408 -6.824 6.286 1.00 0.00 N ATOM 975 CA VAL A 66 1.308 -5.793 5.784 1.00 0.00 C ATOM 976 C VAL A 66 2.356 -5.423 6.828 1.00 0.00 C ATOM 977 O VAL A 66 3.554 -5.408 6.541 1.00 0.00 O ATOM 978 CB VAL A 66 0.535 -4.524 5.377 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.495 -3.445 4.898 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.492 -4.849 4.303 1.00 0.00 C ATOM 0 H VAL A 66 -0.571 -6.690 6.031 1.00 0.00 H new ATOM 0 HA VAL A 66 1.804 -6.205 4.905 1.00 0.00 H new ATOM 0 HB VAL A 66 0.006 -4.145 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.931 -2.556 4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.190 -3.194 5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.053 -3.811 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.029 -3.942 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.014 -5.252 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.198 -5.586 4.686 1.00 0.00 H new ATOM 990 N ILE A 67 1.898 -5.125 8.039 1.00 0.00 N ATOM 991 CA ILE A 67 2.796 -4.756 9.126 1.00 0.00 C ATOM 992 C ILE A 67 3.834 -5.846 9.375 1.00 0.00 C ATOM 993 O ILE A 67 4.992 -5.558 9.677 1.00 0.00 O ATOM 994 CB ILE A 67 2.022 -4.492 10.431 1.00 0.00 C ATOM 995 CG1 ILE A 67 1.010 -3.363 10.230 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.986 -4.153 11.559 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.029 -3.280 11.326 1.00 0.00 C ATOM 0 H ILE A 67 0.910 -5.132 8.292 1.00 0.00 H new ATOM 0 HA ILE A 67 3.301 -3.839 8.821 1.00 0.00 H new ATOM 0 HB ILE A 67 1.479 -5.397 10.703 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.543 -2.414 10.174 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.507 -3.503 9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.424 -3.969 12.475 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.671 -4.986 11.715 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.554 -3.261 11.296 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.713 -2.457 11.118 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.588 -4.215 11.369 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.464 -3.108 12.283 1.00 0.00 H new ATOM 1009 N LYS A 68 3.411 -7.098 9.244 1.00 0.00 N ATOM 1010 CA LYS A 68 4.303 -8.233 9.451 1.00 0.00 C ATOM 1011 C LYS A 68 5.384 -8.279 8.376 1.00 0.00 C ATOM 1012 O LYS A 68 6.547 -8.563 8.663 1.00 0.00 O ATOM 1013 CB LYS A 68 3.508 -9.541 9.446 1.00 0.00 C ATOM 1014 CG LYS A 68 4.118 -10.626 10.316 1.00 0.00 C ATOM 1015 CD LYS A 68 3.583 -10.568 11.737 1.00 0.00 C ATOM 1016 CE LYS A 68 3.903 -11.840 12.506 1.00 0.00 C ATOM 1017 NZ LYS A 68 3.049 -12.980 12.072 1.00 0.00 N ATOM 0 H LYS A 68 2.455 -7.353 8.995 1.00 0.00 H new ATOM 0 HA LYS A 68 4.785 -8.112 10.421 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.493 -9.341 9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.433 -9.907 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.902 -11.604 9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.202 -10.516 10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.014 -9.711 12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.504 -10.417 11.715 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.952 -12.097 12.362 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.761 -11.665 13.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.162 -13.772 12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.053 -12.681 12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.334 -13.285 11.119 1.00 0.00 H new ATOM 1031 N TYR A 69 4.993 -7.997 7.138 1.00 0.00 N ATOM 1032 CA TYR A 69 5.928 -8.007 6.020 1.00 0.00 C ATOM 1033 C TYR A 69 6.892 -6.827 6.105 1.00 0.00 C ATOM 1034 O TYR A 69 8.081 -6.959 5.812 1.00 0.00 O ATOM 1035 CB TYR A 69 5.169 -7.964 4.692 1.00 0.00 C ATOM 1036 CG TYR A 69 6.064 -7.772 3.489 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.632 -6.535 3.211 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.343 -8.829 2.630 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.450 -6.355 2.112 1.00 0.00 C ATOM 1040 CE2 TYR A 69 7.161 -8.658 1.530 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.711 -7.420 1.275 1.00 0.00 C ATOM 1042 OH TYR A 69 8.527 -7.245 0.180 1.00 0.00 O ATOM 0 H TYR A 69 4.034 -7.759 6.884 1.00 0.00 H new ATOM 0 HA TYR A 69 6.506 -8.930 6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.609 -8.891 4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.441 -7.154 4.725 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.431 -5.700 3.865 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.913 -9.800 2.826 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.882 -5.386 1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.369 -9.490 0.873 1.00 0.00 H new ATOM 0 HH TYR A 69 8.610 -8.093 -0.305 1.00 0.00 H new ATOM 1052 N LEU A 70 6.371 -5.674 6.509 1.00 0.00 N ATOM 1053 CA LEU A 70 7.184 -4.469 6.635 1.00 0.00 C ATOM 1054 C LEU A 70 8.302 -4.671 7.652 1.00 0.00 C ATOM 1055 O LEU A 70 9.483 -4.565 7.320 1.00 0.00 O ATOM 1056 CB LEU A 70 6.312 -3.282 7.047 1.00 0.00 C ATOM 1057 CG LEU A 70 5.276 -2.823 6.020 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.212 -1.963 6.684 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.949 -2.062 4.887 1.00 0.00 C ATOM 0 H LEU A 70 5.389 -5.548 6.755 1.00 0.00 H new ATOM 0 HA LEU A 70 7.634 -4.261 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.791 -3.542 7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.965 -2.440 7.277 1.00 0.00 H new ATOM 0 HG LEU A 70 4.792 -3.705 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.483 -1.645 5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.709 -2.541 7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.680 -1.086 7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.197 -1.743 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.460 -1.187 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.673 -2.710 4.393 1.00 0.00 H new ATOM 1071 N ILE A 71 7.922 -4.963 8.891 1.00 0.00 N ATOM 1072 CA ILE A 71 8.893 -5.183 9.956 1.00 0.00 C ATOM 1073 C ILE A 71 10.008 -6.117 9.499 1.00 0.00 C ATOM 1074 O ILE A 71 11.183 -5.882 9.782 1.00 0.00 O ATOM 1075 CB ILE A 71 8.226 -5.774 11.213 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.121 -4.842 11.716 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.263 -6.011 12.301 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.132 -5.521 12.637 1.00 0.00 C ATOM 0 H ILE A 71 6.949 -5.053 9.182 1.00 0.00 H new ATOM 0 HA ILE A 71 9.316 -4.209 10.203 1.00 0.00 H new ATOM 0 HB ILE A 71 7.777 -6.732 10.952 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.576 -4.002 12.240 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.585 -4.431 10.860 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.777 -6.429 13.183 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.018 -6.709 11.938 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.738 -5.066 12.563 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.377 -4.801 12.955 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.649 -6.344 12.110 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.655 -5.908 13.511 1.00 0.00 H new ATOM 1090 N SER A 72 9.632 -7.177 8.790 1.00 0.00 N ATOM 1091 CA SER A 72 10.600 -8.148 8.295 1.00 0.00 C ATOM 1092 C SER A 72 11.766 -7.449 7.604 1.00 0.00 C ATOM 1093 O SER A 72 12.922 -7.607 7.998 1.00 0.00 O ATOM 1094 CB SER A 72 9.927 -9.122 7.326 1.00 0.00 C ATOM 1095 OG SER A 72 10.865 -10.039 6.791 1.00 0.00 O ATOM 0 H SER A 72 8.664 -7.385 8.546 1.00 0.00 H new ATOM 0 HA SER A 72 10.988 -8.705 9.148 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.136 -9.666 7.843 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.455 -8.566 6.516 1.00 0.00 H new ATOM 0 HG SER A 72 10.410 -10.651 6.176 1.00 0.00 H new ATOM 1101 N HIS A 73 11.454 -6.674 6.569 1.00 0.00 N ATOM 1102 CA HIS A 73 12.475 -5.949 5.822 1.00 0.00 C ATOM 1103 C HIS A 73 12.860 -4.658 6.539 1.00 0.00 C ATOM 1104 O HIS A 73 13.581 -3.824 5.992 1.00 0.00 O ATOM 1105 CB HIS A 73 11.977 -5.634 4.411 1.00 0.00 C ATOM 1106 CG HIS A 73 11.254 -6.774 3.763 1.00 0.00 C ATOM 1107 ND1 HIS A 73 11.901 -7.863 3.217 1.00 0.00 N ATOM 1108 CD2 HIS A 73 9.931 -6.991 3.576 1.00 0.00 C ATOM 1109 CE1 HIS A 73 11.007 -8.700 2.721 1.00 0.00 C ATOM 1110 NE2 HIS A 73 9.804 -8.195 2.926 1.00 0.00 N ATOM 0 H HIS A 73 10.503 -6.533 6.229 1.00 0.00 H new ATOM 0 HA HIS A 73 13.359 -6.583 5.754 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.313 -4.770 4.453 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.827 -5.353 3.789 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.125 -6.339 3.881 1.00 0.00 H new ATOM 0 HE1 HIS A 73 11.223 -9.638 2.231 1.00 0.00 H new ATOM 0 HE2 HIS A 73 8.924 -8.628 2.647 1.00 0.00 H new ATOM 1118 N SER A 74 12.372 -4.500 7.765 1.00 0.00 N ATOM 1119 CA SER A 74 12.661 -3.309 8.555 1.00 0.00 C ATOM 1120 C SER A 74 12.182 -2.052 7.836 1.00 0.00 C ATOM 1121 O SER A 74 12.866 -1.028 7.829 1.00 0.00 O ATOM 1122 CB SER A 74 14.161 -3.209 8.837 1.00 0.00 C ATOM 1123 OG SER A 74 14.507 -3.918 10.014 1.00 0.00 O ATOM 0 H SER A 74 11.775 -5.182 8.233 1.00 0.00 H new ATOM 0 HA SER A 74 12.126 -3.392 9.501 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.721 -3.608 7.991 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.445 -2.162 8.942 1.00 0.00 H new ATOM 0 HG SER A 74 15.471 -3.840 10.171 1.00 0.00 H new ATOM 1129 N PHE A 75 11.001 -2.137 7.232 1.00 0.00 N ATOM 1130 CA PHE A 75 10.430 -1.007 6.508 1.00 0.00 C ATOM 1131 C PHE A 75 9.835 0.013 7.475 1.00 0.00 C ATOM 1132 O PHE A 75 8.902 -0.292 8.219 1.00 0.00 O ATOM 1133 CB PHE A 75 9.354 -1.490 5.533 1.00 0.00 C ATOM 1134 CG PHE A 75 9.891 -1.844 4.176 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.673 -0.944 3.469 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.616 -3.077 3.607 1.00 0.00 C ATOM 1137 CE1 PHE A 75 11.167 -1.267 2.219 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.108 -3.406 2.358 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.886 -2.500 1.664 1.00 0.00 C ATOM 0 H PHE A 75 10.421 -2.976 7.230 1.00 0.00 H new ATOM 0 HA PHE A 75 11.230 -0.525 5.946 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.856 -2.362 5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.598 -0.712 5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.899 0.020 3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.010 -3.790 4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.772 -0.556 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.884 -4.370 1.925 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.274 -2.755 0.689 1.00 0.00 H new ATOM 1149 N ARG A 76 10.381 1.224 7.458 1.00 0.00 N ATOM 1150 CA ARG A 76 9.906 2.289 8.334 1.00 0.00 C ATOM 1151 C ARG A 76 8.550 2.811 7.868 1.00 0.00 C ATOM 1152 O ARG A 76 8.379 3.174 6.704 1.00 0.00 O ATOM 1153 CB ARG A 76 10.920 3.434 8.375 1.00 0.00 C ATOM 1154 CG ARG A 76 10.684 4.415 9.512 1.00 0.00 C ATOM 1155 CD ARG A 76 11.424 5.723 9.281 1.00 0.00 C ATOM 1156 NE ARG A 76 11.152 6.699 10.333 1.00 0.00 N ATOM 1157 CZ ARG A 76 11.676 7.920 10.357 1.00 0.00 C ATOM 1158 NH1 ARG A 76 12.495 8.312 9.391 1.00 0.00 N ATOM 1159 NH2 ARG A 76 11.380 8.751 11.348 1.00 0.00 N ATOM 0 H ARG A 76 11.153 1.493 6.847 1.00 0.00 H new ATOM 0 HA ARG A 76 9.792 1.878 9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.923 3.017 8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.886 3.973 7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.616 4.612 9.609 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.013 3.971 10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.496 5.530 9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.133 6.139 8.317 1.00 0.00 H new ATOM 0 HE ARG A 76 10.525 6.429 11.091 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.724 7.676 8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.896 9.250 9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.750 8.453 12.092 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.783 9.688 11.365 1.00 0.00 H new ATOM 1173 N PHE A 77 7.589 2.847 8.785 1.00 0.00 N ATOM 1174 CA PHE A 77 6.248 3.323 8.469 1.00 0.00 C ATOM 1175 C PHE A 77 5.607 3.990 9.683 1.00 0.00 C ATOM 1176 O PHE A 77 5.975 3.711 10.824 1.00 0.00 O ATOM 1177 CB PHE A 77 5.372 2.165 7.988 1.00 0.00 C ATOM 1178 CG PHE A 77 5.133 1.118 9.039 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.194 0.438 9.613 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.845 0.814 9.451 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.977 -0.525 10.580 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.622 -0.148 10.418 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.689 -0.819 10.983 1.00 0.00 C ATOM 0 H PHE A 77 7.714 2.552 9.753 1.00 0.00 H new ATOM 0 HA PHE A 77 6.331 4.062 7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.412 2.560 7.655 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.843 1.699 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.203 0.663 9.301 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.007 1.334 9.012 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.814 -1.047 11.020 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.614 -0.375 10.732 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.517 -1.572 11.738 1.00 0.00 H new ATOM 1193 N SER A 78 4.647 4.873 9.428 1.00 0.00 N ATOM 1194 CA SER A 78 3.957 5.583 10.499 1.00 0.00 C ATOM 1195 C SER A 78 2.455 5.634 10.237 1.00 0.00 C ATOM 1196 O SER A 78 2.009 5.510 9.097 1.00 0.00 O ATOM 1197 CB SER A 78 4.511 7.003 10.636 1.00 0.00 C ATOM 1198 OG SER A 78 5.884 6.983 10.983 1.00 0.00 O ATOM 0 H SER A 78 4.329 5.114 8.489 1.00 0.00 H new ATOM 0 HA SER A 78 4.127 5.042 11.430 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.378 7.541 9.697 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.948 7.545 11.396 1.00 0.00 H new ATOM 0 HG SER A 78 6.215 7.902 11.063 1.00 0.00 H new ATOM 1204 N GLU A 79 1.681 5.816 11.302 1.00 0.00 N ATOM 1205 CA GLU A 79 0.229 5.883 11.189 1.00 0.00 C ATOM 1206 C GLU A 79 -0.263 7.320 11.330 1.00 0.00 C ATOM 1207 O GLU A 79 -0.310 7.865 12.433 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.429 5.000 12.251 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.771 4.430 11.823 1.00 0.00 C ATOM 1210 CD GLU A 79 -1.644 3.072 11.161 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -0.831 2.253 11.640 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -2.356 2.828 10.165 1.00 0.00 O ATOM 0 H GLU A 79 2.035 5.920 12.253 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.049 5.518 10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.244 4.178 12.496 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.565 5.583 13.162 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.420 4.346 12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.252 5.123 11.133 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.627 7.928 10.206 1.00 0.00 N ATOM 1220 CA ILE A 80 -1.116 9.301 10.205 1.00 0.00 C ATOM 1221 C ILE A 80 -2.639 9.343 10.251 1.00 0.00 C ATOM 1222 O ILE A 80 -3.231 10.308 10.734 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.630 10.070 8.962 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.931 9.272 7.691 1.00 0.00 C ATOM 1225 CG2 ILE A 80 0.859 10.364 9.069 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.904 10.109 6.432 1.00 0.00 C ATOM 0 H ILE A 80 -0.593 7.492 9.285 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.715 9.779 11.099 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.165 11.018 8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.204 8.466 7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.912 8.807 7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.187 10.908 8.183 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.048 10.968 9.956 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.410 9.427 9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.126 9.478 5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.651 10.900 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.084 10.553 6.311 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.270 8.288 9.746 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.725 8.200 9.732 1.00 0.00 C ATOM 1240 C LYS A 81 -5.193 6.835 10.224 1.00 0.00 C ATOM 1241 O LYS A 81 -4.488 5.832 10.109 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.258 8.456 8.321 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.596 9.632 7.624 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.548 10.314 6.656 1.00 0.00 C ATOM 1245 CE LYS A 81 -5.478 9.688 5.271 1.00 0.00 C ATOM 1246 NZ LYS A 81 -6.536 10.219 4.368 1.00 0.00 N ATOM 0 H LYS A 81 -2.795 7.481 9.341 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.116 8.962 10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.113 7.559 7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.332 8.634 8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.255 10.352 8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.713 9.287 7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.567 10.245 7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.304 11.374 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.498 9.881 4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.582 8.606 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.454 9.768 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.472 10.013 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.422 11.248 4.266 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.411 6.792 10.785 1.00 0.00 N ATOM 1261 CA PRO A 82 -7.001 5.554 11.303 1.00 0.00 C ATOM 1262 C PRO A 82 -7.371 4.578 10.192 1.00 0.00 C ATOM 1263 O PRO A 82 -7.940 3.518 10.447 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.258 6.037 12.030 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.611 7.322 11.363 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.307 7.948 10.954 1.00 0.00 C ATOM 0 HA PRO A 82 -6.306 5.008 11.941 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.067 5.312 11.946 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.069 6.182 13.094 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.250 7.149 10.497 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.162 7.975 12.040 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.407 8.517 10.030 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.936 8.636 11.714 1.00 0.00 H new ATOM 1274 N GLY A 83 -7.042 4.943 8.956 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.347 4.087 7.824 1.00 0.00 C ATOM 1276 C GLY A 83 -6.357 4.254 6.688 1.00 0.00 C ATOM 1277 O GLY A 83 -6.686 4.005 5.527 1.00 0.00 O ATOM 0 H GLY A 83 -6.570 5.816 8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.350 3.047 8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.351 4.311 7.463 1.00 0.00 H new ATOM 1281 N CYS A 84 -5.143 4.677 7.021 1.00 0.00 N ATOM 1282 CA CYS A 84 -4.102 4.880 6.019 1.00 0.00 C ATOM 1283 C CYS A 84 -2.725 4.571 6.596 1.00 0.00 C ATOM 1284 O CYS A 84 -2.458 4.834 7.770 1.00 0.00 O ATOM 1285 CB CYS A 84 -4.140 6.317 5.497 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.558 6.500 3.795 1.00 0.00 S ATOM 0 H CYS A 84 -4.855 4.886 7.977 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.291 4.196 5.191 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.163 6.689 5.562 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.531 6.945 6.147 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.630 7.750 3.444 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.853 4.012 5.765 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.502 3.665 6.193 1.00 0.00 C ATOM 1294 C LEU A 85 0.540 4.312 5.285 1.00 0.00 C ATOM 1295 O LEU A 85 0.440 4.244 4.060 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.320 2.146 6.195 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.685 1.428 7.494 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.558 -0.078 7.326 1.00 0.00 C ATOM 1299 CD2 LEU A 85 0.193 1.915 8.638 1.00 0.00 C ATOM 0 H LEU A 85 -2.057 3.789 4.791 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.360 4.043 7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.923 1.727 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.721 1.925 5.961 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.723 1.660 7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.822 -0.572 8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.230 -0.414 6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.469 -0.329 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.081 1.393 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.239 1.714 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.051 2.987 8.775 1.00 0.00 H new ATOM 1311 N LYS A 86 1.540 4.939 5.894 1.00 0.00 N ATOM 1312 CA LYS A 86 2.603 5.596 5.143 1.00 0.00 C ATOM 1313 C LYS A 86 3.913 4.823 5.263 1.00 0.00 C ATOM 1314 O LYS A 86 4.446 4.652 6.360 1.00 0.00 O ATOM 1315 CB LYS A 86 2.797 7.030 5.641 1.00 0.00 C ATOM 1316 CG LYS A 86 3.305 7.982 4.572 1.00 0.00 C ATOM 1317 CD LYS A 86 3.133 9.433 4.991 1.00 0.00 C ATOM 1318 CE LYS A 86 3.987 10.362 4.142 1.00 0.00 C ATOM 1319 NZ LYS A 86 3.450 11.751 4.129 1.00 0.00 N ATOM 0 H LYS A 86 1.637 5.006 6.907 1.00 0.00 H new ATOM 0 HA LYS A 86 2.310 5.619 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.848 7.403 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.500 7.024 6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.358 7.781 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.767 7.805 3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.085 9.717 4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.405 9.545 6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.007 10.370 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.034 9.981 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.060 12.353 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.486 11.747 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.429 12.124 5.100 1.00 0.00 H new ATOM 1333 N VAL A 87 4.427 4.359 4.129 1.00 0.00 N ATOM 1334 CA VAL A 87 5.676 3.606 4.107 1.00 0.00 C ATOM 1335 C VAL A 87 6.728 4.312 3.260 1.00 0.00 C ATOM 1336 O VAL A 87 6.558 4.479 2.052 1.00 0.00 O ATOM 1337 CB VAL A 87 5.463 2.182 3.561 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.774 1.410 3.559 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.406 1.452 4.375 1.00 0.00 C ATOM 0 H VAL A 87 3.998 4.491 3.213 1.00 0.00 H new ATOM 0 HA VAL A 87 6.026 3.543 5.137 1.00 0.00 H new ATOM 0 HB VAL A 87 5.110 2.255 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.604 0.406 3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.499 1.926 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.159 1.345 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.268 0.447 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.727 1.388 5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.464 1.997 4.320 1.00 0.00 H new ATOM 1349 N MET A 88 7.817 4.725 3.901 1.00 0.00 N ATOM 1350 CA MET A 88 8.899 5.412 3.205 1.00 0.00 C ATOM 1351 C MET A 88 9.697 4.438 2.345 1.00 0.00 C ATOM 1352 O MET A 88 10.169 3.409 2.831 1.00 0.00 O ATOM 1353 CB MET A 88 9.824 6.101 4.210 1.00 0.00 C ATOM 1354 CG MET A 88 9.104 7.068 5.135 1.00 0.00 C ATOM 1355 SD MET A 88 8.676 8.619 4.321 1.00 0.00 S ATOM 1356 CE MET A 88 10.247 9.477 4.380 1.00 0.00 C ATOM 0 H MET A 88 7.973 4.596 4.901 1.00 0.00 H new ATOM 0 HA MET A 88 8.458 6.166 2.553 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.325 5.341 4.810 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.600 6.640 3.667 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.196 6.597 5.511 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.736 7.277 5.998 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.156 10.360 5.013 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.009 8.814 4.790 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.534 9.781 3.373 1.00 0.00 H new ATOM 1366 N LEU A 89 9.845 4.768 1.067 1.00 0.00 N ATOM 1367 CA LEU A 89 10.587 3.921 0.139 1.00 0.00 C ATOM 1368 C LEU A 89 12.087 4.009 0.402 1.00 0.00 C ATOM 1369 O LEU A 89 12.706 5.051 0.188 1.00 0.00 O ATOM 1370 CB LEU A 89 10.286 4.327 -1.305 1.00 0.00 C ATOM 1371 CG LEU A 89 8.880 4.006 -1.813 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.648 4.639 -3.176 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.666 2.501 -1.878 1.00 0.00 C ATOM 0 H LEU A 89 9.461 5.616 0.649 1.00 0.00 H new ATOM 0 HA LEU A 89 10.270 2.890 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.449 5.400 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.008 3.835 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 89 8.157 4.425 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.642 4.400 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.757 5.721 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.378 4.251 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.660 2.292 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.396 2.059 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.788 2.073 -0.883 1.00 0.00 H new