USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 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 Single : A 94 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0983) USER MOD Single : A 97 ASN : amide:sc= -1.75 X(o=-1.7,f=-1.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.475 F(o=-0.98,f=-0.48) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 85:sc= 1.19 USER MOD Single : A 111 ASN : amide:sc=-0.00109 K(o=-0.0011,f=-0.89) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -73:sc= -3.41 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.69) USER MOD Single : A 137 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.28) USER MOD Single : A 138 TYR OH : rot 120:sc= -2.84! USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 144 MET CE :methyl -134:sc= -0.366 (180deg=-3.58!) USER MOD Single : A 145 MET CE :methyl -115:sc= 0 (180deg=-0.081) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 82 7.884 13.542 -0.018 1.00 0.00 N ATOM 53 CA GLU A 82 6.677 13.245 0.746 1.00 0.00 C ATOM 54 C GLU A 82 5.443 13.301 -0.155 1.00 0.00 C ATOM 55 O GLU A 82 4.479 12.558 0.041 1.00 0.00 O ATOM 56 CB GLU A 82 6.534 14.263 1.882 1.00 0.00 C ATOM 57 CG GLU A 82 5.329 13.912 2.755 1.00 0.00 C ATOM 58 CD GLU A 82 5.223 14.915 3.900 1.00 0.00 C ATOM 59 OE1 GLU A 82 6.194 15.618 4.133 1.00 0.00 O ATOM 60 OE2 GLU A 82 4.178 14.964 4.525 1.00 0.00 O ATOM 0 HA GLU A 82 6.758 12.240 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.440 14.273 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.414 15.265 1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.417 13.927 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.435 12.902 3.150 1.00 0.00 H new ATOM 67 N GLU A 83 5.479 14.195 -1.136 1.00 0.00 N ATOM 68 CA GLU A 83 4.358 14.356 -2.054 1.00 0.00 C ATOM 69 C GLU A 83 4.163 13.122 -2.937 1.00 0.00 C ATOM 70 O GLU A 83 3.042 12.630 -3.069 1.00 0.00 O ATOM 71 CB GLU A 83 4.589 15.595 -2.911 1.00 0.00 C ATOM 72 CG GLU A 83 4.495 16.835 -2.019 1.00 0.00 C ATOM 73 CD GLU A 83 4.811 18.088 -2.822 1.00 0.00 C ATOM 74 OE1 GLU A 83 5.046 17.961 -4.011 1.00 0.00 O ATOM 75 OE2 GLU A 83 4.813 19.158 -2.236 1.00 0.00 O ATOM 0 H GLU A 83 6.268 14.816 -1.316 1.00 0.00 H new ATOM 0 HA GLU A 83 3.447 14.476 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.568 15.547 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.847 15.646 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.494 16.910 -1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.190 16.745 -1.184 1.00 0.00 H new ATOM 82 N GLU A 84 5.238 12.622 -3.544 1.00 0.00 N ATOM 83 CA GLU A 84 5.115 11.445 -4.405 1.00 0.00 C ATOM 84 C GLU A 84 4.379 10.350 -3.650 1.00 0.00 C ATOM 85 O GLU A 84 3.462 9.730 -4.182 1.00 0.00 O ATOM 86 CB GLU A 84 6.485 10.924 -4.838 1.00 0.00 C ATOM 87 CG GLU A 84 6.304 9.751 -5.812 1.00 0.00 C ATOM 88 CD GLU A 84 7.664 9.235 -6.260 1.00 0.00 C ATOM 89 OE1 GLU A 84 8.636 9.938 -6.052 1.00 0.00 O ATOM 90 OE2 GLU A 84 7.712 8.141 -6.800 1.00 0.00 O ATOM 0 H GLU A 84 6.181 13.001 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 84 4.561 11.732 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.055 11.722 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.055 10.602 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.742 8.951 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.724 10.072 -6.677 1.00 0.00 H new ATOM 97 N ILE A 85 4.789 10.114 -2.411 1.00 0.00 N ATOM 98 CA ILE A 85 4.157 9.088 -1.598 1.00 0.00 C ATOM 99 C ILE A 85 2.667 9.375 -1.498 1.00 0.00 C ATOM 100 O ILE A 85 1.832 8.495 -1.705 1.00 0.00 O ATOM 101 CB ILE A 85 4.773 9.113 -0.192 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.281 8.861 -0.279 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.133 8.043 0.692 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.905 9.038 1.108 1.00 0.00 C ATOM 0 H ILE A 85 5.550 10.615 -1.952 1.00 0.00 H new ATOM 0 HA ILE A 85 4.312 8.109 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 85 4.590 10.094 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.472 7.854 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.737 9.554 -0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.582 8.075 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.062 8.230 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.298 7.060 0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.979 8.859 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.725 10.053 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.456 8.328 1.802 1.00 0.00 H new ATOM 116 N ARG A 86 2.346 10.616 -1.177 1.00 0.00 N ATOM 117 CA ARG A 86 0.955 11.014 -1.045 1.00 0.00 C ATOM 118 C ARG A 86 0.200 10.764 -2.352 1.00 0.00 C ATOM 119 O ARG A 86 -0.967 10.366 -2.345 1.00 0.00 O ATOM 120 CB ARG A 86 0.871 12.496 -0.658 1.00 0.00 C ATOM 121 CG ARG A 86 1.310 12.673 0.804 1.00 0.00 C ATOM 122 CD ARG A 86 1.280 14.157 1.178 1.00 0.00 C ATOM 123 NE ARG A 86 1.705 14.347 2.567 1.00 0.00 N ATOM 124 CZ ARG A 86 0.843 14.236 3.577 1.00 0.00 C ATOM 125 NH1 ARG A 86 -0.395 13.911 3.342 1.00 0.00 N ATOM 126 NH2 ARG A 86 1.239 14.443 4.803 1.00 0.00 N ATOM 0 H ARG A 86 3.022 11.360 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 86 0.492 10.415 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.507 13.090 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.148 12.859 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.649 12.109 1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.315 12.274 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.934 14.719 0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.273 14.551 1.043 1.00 0.00 H new ATOM 0 HE ARG A 86 2.681 14.569 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.705 13.741 2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.055 13.826 4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.211 14.691 4.990 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.577 14.357 5.574 1.00 0.00 H new ATOM 140 N GLU A 87 0.876 10.964 -3.475 1.00 0.00 N ATOM 141 CA GLU A 87 0.255 10.736 -4.778 1.00 0.00 C ATOM 142 C GLU A 87 0.163 9.244 -5.101 1.00 0.00 C ATOM 143 O GLU A 87 -0.927 8.689 -5.226 1.00 0.00 O ATOM 144 CB GLU A 87 1.064 11.440 -5.866 1.00 0.00 C ATOM 145 CG GLU A 87 0.924 12.952 -5.697 1.00 0.00 C ATOM 146 CD GLU A 87 1.810 13.678 -6.702 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.488 13.004 -7.460 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.795 14.897 -6.702 1.00 0.00 O ATOM 0 H GLU A 87 1.845 11.280 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.756 11.142 -4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.113 11.150 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.710 11.138 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.116 13.246 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.201 13.239 -4.683 1.00 0.00 H new ATOM 155 N ALA A 88 1.321 8.619 -5.268 1.00 0.00 N ATOM 156 CA ALA A 88 1.386 7.200 -5.617 1.00 0.00 C ATOM 157 C ALA A 88 0.317 6.407 -4.876 1.00 0.00 C ATOM 158 O ALA A 88 -0.467 5.680 -5.487 1.00 0.00 O ATOM 159 CB ALA A 88 2.771 6.637 -5.283 1.00 0.00 C ATOM 0 H ALA A 88 2.230 9.070 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 88 1.207 7.107 -6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.807 5.580 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.530 7.179 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.963 6.751 -4.216 1.00 0.00 H new ATOM 165 N PHE A 89 0.288 6.550 -3.561 1.00 0.00 N ATOM 166 CA PHE A 89 -0.693 5.841 -2.753 1.00 0.00 C ATOM 167 C PHE A 89 -2.118 6.308 -3.069 1.00 0.00 C ATOM 168 O PHE A 89 -3.021 5.486 -3.217 1.00 0.00 O ATOM 169 CB PHE A 89 -0.372 6.031 -1.268 1.00 0.00 C ATOM 170 CG PHE A 89 0.686 5.029 -0.854 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.362 3.667 -0.781 1.00 0.00 C ATOM 172 CD2 PHE A 89 1.985 5.451 -0.558 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.337 2.734 -0.412 1.00 0.00 C ATOM 174 CE2 PHE A 89 2.959 4.516 -0.193 1.00 0.00 C ATOM 175 CZ PHE A 89 2.636 3.164 -0.119 1.00 0.00 C ATOM 0 H PHE A 89 0.926 7.145 -3.033 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.640 4.779 -2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.019 7.046 -1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.272 5.895 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.641 3.338 -1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.237 6.500 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.088 1.685 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.963 4.843 0.032 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.390 2.445 0.165 1.00 0.00 H new ATOM 185 N ARG A 90 -2.318 7.619 -3.177 1.00 0.00 N ATOM 186 CA ARG A 90 -3.646 8.132 -3.483 1.00 0.00 C ATOM 187 C ARG A 90 -4.179 7.484 -4.761 1.00 0.00 C ATOM 188 O ARG A 90 -5.338 7.075 -4.823 1.00 0.00 O ATOM 189 CB ARG A 90 -3.585 9.658 -3.660 1.00 0.00 C ATOM 190 CG ARG A 90 -3.609 10.361 -2.286 1.00 0.00 C ATOM 191 CD ARG A 90 -5.054 10.543 -1.808 1.00 0.00 C ATOM 192 NE ARG A 90 -5.090 11.381 -0.612 1.00 0.00 N ATOM 193 CZ ARG A 90 -6.190 11.485 0.123 1.00 0.00 C ATOM 194 NH1 ARG A 90 -7.264 10.828 -0.215 1.00 0.00 N ATOM 195 NH2 ARG A 90 -6.195 12.245 1.182 1.00 0.00 N ATOM 0 H ARG A 90 -1.595 8.329 -3.060 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.317 7.891 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.679 9.932 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.429 9.995 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.049 9.773 -1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.117 11.331 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.651 10.999 -2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.498 9.571 -1.593 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.254 11.896 -0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.259 10.234 -1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.110 10.908 0.350 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.354 12.759 1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.040 12.326 1.748 1.00 0.00 H new ATOM 209 N VAL A 91 -3.323 7.389 -5.769 1.00 0.00 N ATOM 210 CA VAL A 91 -3.703 6.785 -7.041 1.00 0.00 C ATOM 211 C VAL A 91 -3.998 5.294 -6.870 1.00 0.00 C ATOM 212 O VAL A 91 -4.960 4.772 -7.435 1.00 0.00 O ATOM 213 CB VAL A 91 -2.568 6.962 -8.054 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.902 6.206 -9.343 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.388 8.450 -8.364 1.00 0.00 C ATOM 0 H VAL A 91 -2.360 7.722 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.604 7.281 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.644 6.564 -7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.092 6.335 -10.061 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.025 5.146 -9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.827 6.598 -9.766 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.580 8.576 -9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.313 8.849 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.143 8.986 -7.447 1.00 0.00 H new ATOM 225 N PHE A 92 -3.144 4.615 -6.107 1.00 0.00 N ATOM 226 CA PHE A 92 -3.298 3.178 -5.883 1.00 0.00 C ATOM 227 C PHE A 92 -4.721 2.853 -5.439 1.00 0.00 C ATOM 228 O PHE A 92 -5.370 1.986 -6.017 1.00 0.00 O ATOM 229 CB PHE A 92 -2.297 2.711 -4.807 1.00 0.00 C ATOM 230 CG PHE A 92 -0.991 2.282 -5.448 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.473 2.991 -6.538 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.308 1.165 -4.951 1.00 0.00 C ATOM 233 CE1 PHE A 92 0.729 2.582 -7.131 1.00 0.00 C ATOM 234 CE2 PHE A 92 0.891 0.755 -5.544 1.00 0.00 C ATOM 235 CZ PHE A 92 1.411 1.464 -6.633 1.00 0.00 C ATOM 0 H PHE A 92 -2.342 5.033 -5.635 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.098 2.655 -6.819 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.113 3.518 -4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.722 1.881 -4.242 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.999 3.853 -6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.707 0.619 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.130 3.129 -7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.415 -0.108 -5.162 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.338 1.149 -7.089 1.00 0.00 H new ATOM 245 N ASP A 93 -5.202 3.536 -4.412 1.00 0.00 N ATOM 246 CA ASP A 93 -6.550 3.276 -3.933 1.00 0.00 C ATOM 247 C ASP A 93 -7.527 3.297 -5.110 1.00 0.00 C ATOM 248 O ASP A 93 -8.001 4.357 -5.516 1.00 0.00 O ATOM 249 CB ASP A 93 -6.946 4.326 -2.895 1.00 0.00 C ATOM 250 CG ASP A 93 -8.211 3.882 -2.169 1.00 0.00 C ATOM 251 OD1 ASP A 93 -9.180 3.590 -2.841 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.184 3.826 -0.953 1.00 0.00 O ATOM 0 H ASP A 93 -4.693 4.259 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.583 2.293 -3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.136 4.467 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.113 5.287 -3.382 1.00 0.00 H new ATOM 257 N LYS A 94 -7.804 2.114 -5.662 1.00 0.00 N ATOM 258 CA LYS A 94 -8.713 1.996 -6.804 1.00 0.00 C ATOM 259 C LYS A 94 -10.063 2.636 -6.489 1.00 0.00 C ATOM 260 O LYS A 94 -10.502 3.557 -7.177 1.00 0.00 O ATOM 261 CB LYS A 94 -8.926 0.494 -7.141 1.00 0.00 C ATOM 262 CG LYS A 94 -8.139 0.075 -8.395 1.00 0.00 C ATOM 263 CD LYS A 94 -6.641 0.026 -8.087 1.00 0.00 C ATOM 264 CE LYS A 94 -5.906 -0.629 -9.258 1.00 0.00 C ATOM 265 NZ LYS A 94 -5.962 0.271 -10.445 1.00 0.00 N ATOM 0 H LYS A 94 -7.414 1.228 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.270 2.513 -7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.613 -0.117 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.988 0.303 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.479 -0.902 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.328 0.780 -9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.259 1.033 -7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.465 -0.537 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.869 -0.826 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.361 -1.590 -9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.338 -0.099 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.938 0.316 -10.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.649 1.225 -10.173 1.00 0.00 H new ATOM 279 N ASP A 95 -10.720 2.123 -5.458 1.00 0.00 N ATOM 280 CA ASP A 95 -12.027 2.626 -5.068 1.00 0.00 C ATOM 281 C ASP A 95 -11.888 3.941 -4.315 1.00 0.00 C ATOM 282 O ASP A 95 -12.831 4.405 -3.674 1.00 0.00 O ATOM 283 CB ASP A 95 -12.724 1.593 -4.187 1.00 0.00 C ATOM 284 CG ASP A 95 -12.997 0.325 -4.989 1.00 0.00 C ATOM 285 OD1 ASP A 95 -13.055 0.415 -6.204 1.00 0.00 O ATOM 286 OD2 ASP A 95 -13.144 -0.720 -4.374 1.00 0.00 O ATOM 0 H ASP A 95 -10.369 1.360 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.622 2.803 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.102 1.360 -3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.660 2.001 -3.805 1.00 0.00 H new ATOM 291 N GLY A 96 -10.703 4.535 -4.413 1.00 0.00 N ATOM 292 CA GLY A 96 -10.412 5.811 -3.755 1.00 0.00 C ATOM 293 C GLY A 96 -11.179 5.965 -2.443 1.00 0.00 C ATOM 294 O GLY A 96 -11.794 7.001 -2.195 1.00 0.00 O ATOM 0 H GLY A 96 -9.921 4.152 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.342 5.883 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.670 6.632 -4.425 1.00 0.00 H new ATOM 298 N ASN A 97 -11.152 4.930 -1.609 1.00 0.00 N ATOM 299 CA ASN A 97 -11.866 4.980 -0.335 1.00 0.00 C ATOM 300 C ASN A 97 -11.120 5.838 0.686 1.00 0.00 C ATOM 301 O ASN A 97 -11.641 6.120 1.766 1.00 0.00 O ATOM 302 CB ASN A 97 -12.054 3.569 0.228 1.00 0.00 C ATOM 303 CG ASN A 97 -12.742 2.675 -0.799 1.00 0.00 C ATOM 304 OD1 ASN A 97 -12.307 1.546 -1.024 1.00 0.00 O ATOM 305 ND2 ASN A 97 -13.800 3.104 -1.433 1.00 0.00 N ATOM 0 H ASN A 97 -10.652 4.059 -1.787 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.841 5.430 -0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.086 3.146 0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.649 3.611 1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.265 2.503 -2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.161 4.040 -1.247 1.00 0.00 H new ATOM 312 N GLY A 98 -9.903 6.262 0.343 1.00 0.00 N ATOM 313 CA GLY A 98 -9.102 7.101 1.244 1.00 0.00 C ATOM 314 C GLY A 98 -8.087 6.273 2.031 1.00 0.00 C ATOM 315 O GLY A 98 -7.178 6.821 2.655 1.00 0.00 O ATOM 0 H GLY A 98 -9.451 6.042 -0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.580 7.862 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.761 7.624 1.937 1.00 0.00 H new ATOM 319 N TYR A 99 -8.245 4.953 1.991 1.00 0.00 N ATOM 320 CA TYR A 99 -7.330 4.048 2.698 1.00 0.00 C ATOM 321 C TYR A 99 -6.939 2.892 1.774 1.00 0.00 C ATOM 322 O TYR A 99 -7.715 2.499 0.913 1.00 0.00 O ATOM 323 CB TYR A 99 -8.003 3.531 3.972 1.00 0.00 C ATOM 324 CG TYR A 99 -8.805 4.649 4.600 1.00 0.00 C ATOM 325 CD1 TYR A 99 -8.180 5.576 5.445 1.00 0.00 C ATOM 326 CD2 TYR A 99 -10.176 4.761 4.332 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.927 6.611 6.020 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.921 5.795 4.911 1.00 0.00 C ATOM 329 CZ TYR A 99 -10.297 6.720 5.754 1.00 0.00 C ATOM 330 OH TYR A 99 -11.032 7.739 6.325 1.00 0.00 O ATOM 0 H TYR A 99 -8.993 4.483 1.480 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.424 4.583 2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.653 2.688 3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.251 3.168 4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.123 5.492 5.652 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.658 4.049 3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -8.445 7.327 6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.978 5.878 4.707 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.966 7.670 6.036 1.00 0.00 H new ATOM 340 N ILE A 100 -5.722 2.370 1.927 1.00 0.00 N ATOM 341 CA ILE A 100 -5.244 1.285 1.061 1.00 0.00 C ATOM 342 C ILE A 100 -5.689 -0.090 1.543 1.00 0.00 C ATOM 343 O ILE A 100 -5.531 -0.425 2.716 1.00 0.00 O ATOM 344 CB ILE A 100 -3.716 1.307 1.010 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.237 2.744 0.750 1.00 0.00 C ATOM 346 CG2 ILE A 100 -3.209 0.371 -0.096 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.846 3.287 -0.545 1.00 0.00 C ATOM 0 H ILE A 100 -5.053 2.675 2.634 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.675 1.454 0.074 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.318 0.961 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.517 3.384 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.149 2.764 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -2.120 0.395 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.544 -0.646 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.603 0.698 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.496 4.305 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.544 2.657 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.933 3.286 -0.464 1.00 0.00 H new ATOM 359 N SER A 101 -6.222 -0.892 0.610 1.00 0.00 N ATOM 360 CA SER A 101 -6.673 -2.255 0.912 1.00 0.00 C ATOM 361 C SER A 101 -5.664 -3.274 0.376 1.00 0.00 C ATOM 362 O SER A 101 -4.862 -2.969 -0.508 1.00 0.00 O ATOM 363 CB SER A 101 -8.034 -2.509 0.266 1.00 0.00 C ATOM 364 OG SER A 101 -9.047 -1.843 1.005 1.00 0.00 O ATOM 0 H SER A 101 -6.351 -0.617 -0.364 1.00 0.00 H new ATOM 0 HA SER A 101 -6.757 -2.362 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.030 -2.154 -0.765 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.238 -3.579 0.234 1.00 0.00 H new ATOM 0 HG SER A 101 -9.918 -2.007 0.587 1.00 0.00 H new ATOM 370 N ALA A 102 -5.706 -4.477 0.930 1.00 0.00 N ATOM 371 CA ALA A 102 -4.791 -5.541 0.523 1.00 0.00 C ATOM 372 C ALA A 102 -5.082 -6.063 -0.883 1.00 0.00 C ATOM 373 O ALA A 102 -4.162 -6.412 -1.623 1.00 0.00 O ATOM 374 CB ALA A 102 -4.877 -6.693 1.526 1.00 0.00 C ATOM 0 H ALA A 102 -6.363 -4.744 1.663 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.786 -5.119 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.196 -7.489 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.601 -6.334 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.896 -7.078 1.551 1.00 0.00 H new ATOM 380 N ALA A 103 -6.352 -6.131 -1.239 1.00 0.00 N ATOM 381 CA ALA A 103 -6.739 -6.633 -2.549 1.00 0.00 C ATOM 382 C ALA A 103 -6.186 -5.751 -3.665 1.00 0.00 C ATOM 383 O ALA A 103 -5.839 -6.233 -4.753 1.00 0.00 O ATOM 384 CB ALA A 103 -8.261 -6.685 -2.638 1.00 0.00 C ATOM 0 H ALA A 103 -7.131 -5.847 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.323 -7.633 -2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.556 -7.061 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.648 -7.348 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.668 -5.684 -2.496 1.00 0.00 H new ATOM 390 N GLU A 104 -6.120 -4.458 -3.402 1.00 0.00 N ATOM 391 CA GLU A 104 -5.626 -3.513 -4.386 1.00 0.00 C ATOM 392 C GLU A 104 -4.149 -3.737 -4.678 1.00 0.00 C ATOM 393 O GLU A 104 -3.694 -3.499 -5.796 1.00 0.00 O ATOM 394 CB GLU A 104 -5.816 -2.099 -3.851 1.00 0.00 C ATOM 395 CG GLU A 104 -7.299 -1.868 -3.585 1.00 0.00 C ATOM 396 CD GLU A 104 -7.498 -0.535 -2.881 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.504 0.117 -2.602 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.637 -0.184 -2.624 1.00 0.00 O ATOM 0 H GLU A 104 -6.402 -4.039 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.184 -3.656 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.243 -1.962 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.444 -1.370 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.852 -1.879 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.697 -2.676 -2.971 1.00 0.00 H new ATOM 405 N LEU A 105 -3.398 -4.180 -3.670 1.00 0.00 N ATOM 406 CA LEU A 105 -1.971 -4.407 -3.860 1.00 0.00 C ATOM 407 C LEU A 105 -1.708 -5.527 -4.848 1.00 0.00 C ATOM 408 O LEU A 105 -0.882 -5.389 -5.741 1.00 0.00 O ATOM 409 CB LEU A 105 -1.314 -4.748 -2.531 1.00 0.00 C ATOM 410 CG LEU A 105 -1.667 -3.682 -1.498 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.937 -3.991 -0.189 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.260 -2.291 -2.019 1.00 0.00 C ATOM 0 H LEU A 105 -3.747 -4.384 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.545 -3.488 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.650 -5.727 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.232 -4.807 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.743 -3.685 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.185 -3.233 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.244 -4.971 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.139 -3.990 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.515 -1.535 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.186 -2.271 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.791 -2.081 -2.948 1.00 0.00 H new ATOM 424 N ARG A 106 -2.398 -6.643 -4.690 1.00 0.00 N ATOM 425 CA ARG A 106 -2.186 -7.760 -5.594 1.00 0.00 C ATOM 426 C ARG A 106 -2.605 -7.396 -7.016 1.00 0.00 C ATOM 427 O ARG A 106 -1.889 -7.698 -7.973 1.00 0.00 O ATOM 428 CB ARG A 106 -2.959 -8.992 -5.114 1.00 0.00 C ATOM 429 CG ARG A 106 -4.397 -8.599 -4.779 1.00 0.00 C ATOM 430 CD ARG A 106 -5.158 -9.821 -4.281 1.00 0.00 C ATOM 431 NE ARG A 106 -6.580 -9.506 -4.131 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.393 -10.292 -3.433 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.928 -11.356 -2.852 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.658 -9.994 -3.332 1.00 0.00 N ATOM 0 H ARG A 106 -3.095 -6.799 -3.962 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.121 -7.994 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.952 -9.761 -5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.474 -9.418 -4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.404 -7.819 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.887 -8.187 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.033 -10.646 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.748 -10.149 -3.326 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.954 -8.666 -4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.938 -11.589 -2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.553 -11.959 -2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.023 -9.158 -3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.283 -10.597 -2.796 1.00 0.00 H new ATOM 448 N HIS A 107 -3.770 -6.756 -7.163 1.00 0.00 N ATOM 449 CA HIS A 107 -4.249 -6.385 -8.487 1.00 0.00 C ATOM 450 C HIS A 107 -3.396 -5.291 -9.128 1.00 0.00 C ATOM 451 O HIS A 107 -2.973 -5.421 -10.278 1.00 0.00 O ATOM 452 CB HIS A 107 -5.686 -5.880 -8.388 1.00 0.00 C ATOM 453 CG HIS A 107 -6.585 -6.974 -7.884 1.00 0.00 C ATOM 454 ND1 HIS A 107 -7.504 -7.001 -6.867 1.00 0.00 N flip ATOM 455 CD2 HIS A 107 -6.627 -8.232 -8.468 1.00 0.00 C flip ATOM 456 CE1 HIS A 107 -8.113 -8.250 -6.819 1.00 0.00 C flip ATOM 457 NE2 HIS A 107 -7.546 -8.955 -7.804 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.385 -6.491 -6.393 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.188 -7.276 -9.111 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.733 -5.022 -7.717 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.028 -5.539 -9.365 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.031 -8.569 -9.303 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -8.879 -8.580 -6.133 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -7.782 -9.923 -8.025 1.00 0.00 H new ATOM 466 N VAL A 108 -3.175 -4.201 -8.390 1.00 0.00 N ATOM 467 CA VAL A 108 -2.397 -3.084 -8.924 1.00 0.00 C ATOM 468 C VAL A 108 -0.985 -3.546 -9.279 1.00 0.00 C ATOM 469 O VAL A 108 -0.494 -3.266 -10.369 1.00 0.00 O ATOM 470 CB VAL A 108 -2.358 -1.918 -7.920 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.365 -2.221 -6.800 1.00 0.00 C ATOM 472 CG2 VAL A 108 -1.932 -0.628 -8.634 1.00 0.00 C ATOM 0 H VAL A 108 -3.517 -4.069 -7.438 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.881 -2.726 -9.833 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.354 -1.791 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.346 -1.389 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.669 -3.130 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.370 -2.361 -7.224 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.907 0.193 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.941 -0.762 -9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.646 -0.397 -9.425 1.00 0.00 H new ATOM 482 N MET A 109 -0.333 -4.241 -8.355 1.00 0.00 N ATOM 483 CA MET A 109 1.021 -4.717 -8.604 1.00 0.00 C ATOM 484 C MET A 109 1.037 -5.575 -9.861 1.00 0.00 C ATOM 485 O MET A 109 1.927 -5.446 -10.701 1.00 0.00 O ATOM 486 CB MET A 109 1.527 -5.527 -7.410 1.00 0.00 C ATOM 487 CG MET A 109 1.768 -4.586 -6.227 1.00 0.00 C ATOM 488 SD MET A 109 3.229 -3.561 -6.548 1.00 0.00 S ATOM 489 CE MET A 109 3.602 -3.144 -4.825 1.00 0.00 C ATOM 0 H MET A 109 -0.713 -4.485 -7.440 1.00 0.00 H new ATOM 0 HA MET A 109 1.679 -3.859 -8.745 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.799 -6.291 -7.139 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.450 -6.045 -7.672 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.895 -3.953 -6.070 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.911 -5.164 -5.314 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.484 -2.505 -4.788 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.754 -2.618 -4.386 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.792 -4.058 -4.262 1.00 0.00 H new ATOM 499 N THR A 110 0.029 -6.428 -9.999 1.00 0.00 N ATOM 500 CA THR A 110 -0.077 -7.274 -11.177 1.00 0.00 C ATOM 501 C THR A 110 -0.281 -6.411 -12.421 1.00 0.00 C ATOM 502 O THR A 110 0.338 -6.639 -13.461 1.00 0.00 O ATOM 503 CB THR A 110 -1.247 -8.242 -11.015 1.00 0.00 C ATOM 504 OG1 THR A 110 -1.001 -9.096 -9.908 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.398 -9.078 -12.287 1.00 0.00 C ATOM 0 H THR A 110 -0.719 -6.550 -9.316 1.00 0.00 H new ATOM 0 HA THR A 110 0.844 -7.845 -11.291 1.00 0.00 H new ATOM 0 HB THR A 110 -2.165 -7.680 -10.843 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.290 -8.653 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.233 -9.769 -12.171 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.587 -8.420 -13.135 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.482 -9.642 -12.462 1.00 0.00 H new ATOM 513 N ASN A 111 -1.153 -5.414 -12.294 1.00 0.00 N ATOM 514 CA ASN A 111 -1.444 -4.503 -13.400 1.00 0.00 C ATOM 515 C ASN A 111 -0.190 -3.727 -13.775 1.00 0.00 C ATOM 516 O ASN A 111 0.085 -3.493 -14.953 1.00 0.00 O ATOM 517 CB ASN A 111 -2.541 -3.522 -12.991 1.00 0.00 C ATOM 518 CG ASN A 111 -2.933 -2.643 -14.176 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.942 -3.108 -15.315 1.00 0.00 O ATOM 520 ND2 ASN A 111 -3.264 -1.396 -13.976 1.00 0.00 N ATOM 0 H ASN A 111 -1.670 -5.216 -11.438 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.780 -5.086 -14.257 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.412 -4.069 -12.631 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.193 -2.899 -12.167 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.530 -0.806 -14.764 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.256 -1.011 -13.031 1.00 0.00 H new ATOM 527 N LEU A 112 0.567 -3.339 -12.758 1.00 0.00 N ATOM 528 CA LEU A 112 1.800 -2.599 -12.959 1.00 0.00 C ATOM 529 C LEU A 112 2.784 -3.451 -13.750 1.00 0.00 C ATOM 530 O LEU A 112 3.508 -2.947 -14.610 1.00 0.00 O ATOM 531 CB LEU A 112 2.408 -2.216 -11.600 1.00 0.00 C ATOM 532 CG LEU A 112 1.675 -0.998 -11.007 1.00 0.00 C ATOM 533 CD1 LEU A 112 2.051 -0.851 -9.525 1.00 0.00 C ATOM 534 CD2 LEU A 112 2.056 0.290 -11.766 1.00 0.00 C ATOM 0 H LEU A 112 0.345 -3.527 -11.780 1.00 0.00 H new ATOM 0 HA LEU A 112 1.586 -1.688 -13.518 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.339 -3.060 -10.913 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.467 -1.988 -11.720 1.00 0.00 H new ATOM 0 HG LEU A 112 0.601 -1.153 -11.105 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.534 0.010 -9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.759 -1.751 -8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.128 -0.708 -9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.527 1.138 -11.331 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.131 0.454 -11.688 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.779 0.189 -12.815 1.00 0.00 H new ATOM 546 N GLY A 113 2.803 -4.751 -13.458 1.00 0.00 N ATOM 547 CA GLY A 113 3.704 -5.675 -14.154 1.00 0.00 C ATOM 548 C GLY A 113 4.410 -6.595 -13.167 1.00 0.00 C ATOM 549 O GLY A 113 5.162 -7.486 -13.566 1.00 0.00 O ATOM 0 H GLY A 113 2.211 -5.187 -12.751 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.138 -6.270 -14.871 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.443 -5.110 -14.722 1.00 0.00 H new ATOM 553 N GLU A 114 4.172 -6.373 -11.874 1.00 0.00 N ATOM 554 CA GLU A 114 4.798 -7.188 -10.828 1.00 0.00 C ATOM 555 C GLU A 114 3.758 -8.068 -10.140 1.00 0.00 C ATOM 556 O GLU A 114 2.940 -7.586 -9.358 1.00 0.00 O ATOM 557 CB GLU A 114 5.459 -6.274 -9.796 1.00 0.00 C ATOM 558 CG GLU A 114 6.552 -5.444 -10.475 1.00 0.00 C ATOM 559 CD GLU A 114 7.666 -6.353 -10.985 1.00 0.00 C ATOM 560 OE1 GLU A 114 7.768 -7.466 -10.496 1.00 0.00 O ATOM 561 OE2 GLU A 114 8.403 -5.919 -11.856 1.00 0.00 O ATOM 0 H GLU A 114 3.554 -5.640 -11.525 1.00 0.00 H new ATOM 0 HA GLU A 114 5.550 -7.830 -11.287 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.715 -5.617 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.887 -6.869 -8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.127 -4.878 -11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.959 -4.719 -9.770 1.00 0.00 H new ATOM 568 N LYS A 115 3.792 -9.361 -10.451 1.00 0.00 N ATOM 569 CA LYS A 115 2.845 -10.312 -9.873 1.00 0.00 C ATOM 570 C LYS A 115 3.350 -10.851 -8.534 1.00 0.00 C ATOM 571 O LYS A 115 4.025 -11.878 -8.476 1.00 0.00 O ATOM 572 CB LYS A 115 2.605 -11.475 -10.851 1.00 0.00 C ATOM 573 CG LYS A 115 3.929 -11.917 -11.485 1.00 0.00 C ATOM 574 CD LYS A 115 3.687 -13.126 -12.391 1.00 0.00 C ATOM 575 CE LYS A 115 5.013 -13.566 -13.009 1.00 0.00 C ATOM 576 NZ LYS A 115 4.787 -14.740 -13.899 1.00 0.00 N ATOM 0 H LYS A 115 4.463 -9.774 -11.098 1.00 0.00 H new ATOM 0 HA LYS A 115 1.905 -9.789 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.148 -12.313 -10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 115 1.906 -11.167 -11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.359 -11.098 -12.062 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.649 -12.171 -10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.251 -13.944 -11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 115 2.974 -12.871 -13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.450 -12.745 -13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.723 -13.824 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.691 -15.037 -14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.388 -15.524 -13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.124 -14.479 -14.656 1.00 0.00 H new ATOM 590 N LEU A 116 2.999 -10.153 -7.458 1.00 0.00 N ATOM 591 CA LEU A 116 3.400 -10.566 -6.116 1.00 0.00 C ATOM 592 C LEU A 116 2.559 -11.762 -5.657 1.00 0.00 C ATOM 593 O LEU A 116 1.780 -12.320 -6.431 1.00 0.00 O ATOM 594 CB LEU A 116 3.225 -9.391 -5.132 1.00 0.00 C ATOM 595 CG LEU A 116 4.498 -8.535 -5.070 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.840 -8.015 -6.468 1.00 0.00 C ATOM 597 CD2 LEU A 116 4.264 -7.353 -4.122 1.00 0.00 C ATOM 0 H LEU A 116 2.439 -9.301 -7.488 1.00 0.00 H new ATOM 0 HA LEU A 116 4.449 -10.862 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.382 -8.774 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.991 -9.775 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 116 5.327 -9.140 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.744 -7.408 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.004 -8.858 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.015 -7.408 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.165 -6.741 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.435 -6.749 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.026 -7.727 -3.126 1.00 0.00 H new ATOM 609 N THR A 117 2.722 -12.138 -4.388 1.00 0.00 N ATOM 610 CA THR A 117 1.977 -13.259 -3.809 1.00 0.00 C ATOM 611 C THR A 117 0.966 -12.746 -2.791 1.00 0.00 C ATOM 612 O THR A 117 1.303 -11.944 -1.921 1.00 0.00 O ATOM 613 CB THR A 117 2.942 -14.233 -3.123 1.00 0.00 C ATOM 614 OG1 THR A 117 3.758 -13.517 -2.206 1.00 0.00 O ATOM 615 CG2 THR A 117 3.827 -14.913 -4.169 1.00 0.00 C ATOM 0 H THR A 117 3.364 -11.682 -3.740 1.00 0.00 H new ATOM 0 HA THR A 117 1.450 -13.777 -4.610 1.00 0.00 H new ATOM 0 HB THR A 117 2.369 -14.993 -2.591 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.416 -12.985 -2.700 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.510 -15.604 -3.674 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.202 -15.463 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.401 -14.158 -4.707 1.00 0.00 H new ATOM 623 N ASP A 118 -0.274 -13.208 -2.912 1.00 0.00 N ATOM 624 CA ASP A 118 -1.333 -12.780 -2.008 1.00 0.00 C ATOM 625 C ASP A 118 -0.937 -13.031 -0.557 1.00 0.00 C ATOM 626 O ASP A 118 -1.278 -12.252 0.332 1.00 0.00 O ATOM 627 CB ASP A 118 -2.627 -13.541 -2.319 1.00 0.00 C ATOM 628 CG ASP A 118 -3.241 -13.031 -3.616 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.769 -12.024 -4.119 1.00 0.00 O ATOM 630 OD2 ASP A 118 -4.176 -13.655 -4.089 1.00 0.00 O ATOM 0 H ASP A 118 -0.569 -13.876 -3.624 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.493 -11.711 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.419 -14.608 -2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.336 -13.417 -1.500 1.00 0.00 H new ATOM 635 N GLU A 119 -0.221 -14.121 -0.323 1.00 0.00 N ATOM 636 CA GLU A 119 0.207 -14.456 1.025 1.00 0.00 C ATOM 637 C GLU A 119 1.135 -13.377 1.573 1.00 0.00 C ATOM 638 O GLU A 119 1.018 -12.971 2.736 1.00 0.00 O ATOM 639 CB GLU A 119 0.928 -15.804 1.012 1.00 0.00 C ATOM 640 CG GLU A 119 -0.071 -16.893 0.626 1.00 0.00 C ATOM 641 CD GLU A 119 0.622 -18.246 0.559 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.804 -18.298 0.854 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.041 -19.212 0.220 1.00 0.00 O ATOM 0 H GLU A 119 0.073 -14.782 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.670 -14.519 1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.756 -15.783 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 119 1.354 -16.013 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.881 -16.927 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.520 -16.659 -0.339 1.00 0.00 H new ATOM 650 N GLU A 120 2.029 -12.878 0.721 1.00 0.00 N ATOM 651 CA GLU A 120 2.939 -11.815 1.133 1.00 0.00 C ATOM 652 C GLU A 120 2.170 -10.514 1.303 1.00 0.00 C ATOM 653 O GLU A 120 2.323 -9.816 2.299 1.00 0.00 O ATOM 654 CB GLU A 120 4.055 -11.629 0.104 1.00 0.00 C ATOM 655 CG GLU A 120 5.000 -12.829 0.148 1.00 0.00 C ATOM 656 CD GLU A 120 6.028 -12.719 -0.971 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.939 -11.773 -1.736 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.888 -13.580 -1.047 1.00 0.00 O ATOM 0 H GLU A 120 2.141 -13.188 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 120 3.390 -12.095 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.629 -11.525 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.606 -10.712 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.504 -12.871 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.433 -13.754 0.043 1.00 0.00 H new ATOM 665 N VAL A 121 1.322 -10.202 0.327 1.00 0.00 N ATOM 666 CA VAL A 121 0.514 -8.992 0.391 1.00 0.00 C ATOM 667 C VAL A 121 -0.162 -8.919 1.753 1.00 0.00 C ATOM 668 O VAL A 121 0.170 -8.081 2.585 1.00 0.00 O ATOM 669 CB VAL A 121 -0.541 -9.023 -0.720 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.554 -7.900 -0.516 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.138 -8.849 -2.080 1.00 0.00 C ATOM 0 H VAL A 121 1.178 -10.766 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 121 1.145 -8.114 0.254 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.058 -9.982 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.298 -7.932 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.047 -8.026 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.041 -6.939 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.615 -8.871 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.662 -7.893 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.851 -9.658 -2.237 1.00 0.00 H new ATOM 681 N ASP A 122 -1.116 -9.806 1.970 1.00 0.00 N ATOM 682 CA ASP A 122 -1.836 -9.844 3.232 1.00 0.00 C ATOM 683 C ASP A 122 -0.859 -9.705 4.400 1.00 0.00 C ATOM 684 O ASP A 122 -1.149 -9.026 5.383 1.00 0.00 O ATOM 685 CB ASP A 122 -2.602 -11.162 3.343 1.00 0.00 C ATOM 686 CG ASP A 122 -3.634 -11.079 4.460 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.471 -10.191 4.402 1.00 0.00 O ATOM 688 OD2 ASP A 122 -3.570 -11.899 5.359 1.00 0.00 O ATOM 0 H ASP A 122 -1.410 -10.508 1.291 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.541 -9.014 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.096 -11.384 2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.908 -11.979 3.540 1.00 0.00 H new ATOM 693 N GLU A 123 0.307 -10.345 4.282 1.00 0.00 N ATOM 694 CA GLU A 123 1.314 -10.269 5.337 1.00 0.00 C ATOM 695 C GLU A 123 1.909 -8.856 5.434 1.00 0.00 C ATOM 696 O GLU A 123 2.173 -8.364 6.532 1.00 0.00 O ATOM 697 CB GLU A 123 2.433 -11.278 5.079 1.00 0.00 C ATOM 698 CG GLU A 123 3.371 -11.316 6.285 1.00 0.00 C ATOM 699 CD GLU A 123 4.428 -12.393 6.080 1.00 0.00 C ATOM 700 OE1 GLU A 123 4.223 -13.238 5.224 1.00 0.00 O ATOM 701 OE2 GLU A 123 5.426 -12.361 6.782 1.00 0.00 O ATOM 0 H GLU A 123 0.573 -10.913 3.478 1.00 0.00 H new ATOM 0 HA GLU A 123 0.824 -10.506 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 123 2.012 -12.267 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 123 2.987 -11.002 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.848 -10.345 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.803 -11.518 7.193 1.00 0.00 H new ATOM 708 N MET A 124 2.125 -8.216 4.281 1.00 0.00 N ATOM 709 CA MET A 124 2.703 -6.867 4.262 1.00 0.00 C ATOM 710 C MET A 124 1.901 -5.910 5.139 1.00 0.00 C ATOM 711 O MET A 124 2.390 -5.449 6.170 1.00 0.00 O ATOM 712 CB MET A 124 2.738 -6.310 2.830 1.00 0.00 C ATOM 713 CG MET A 124 3.831 -7.010 2.022 1.00 0.00 C ATOM 714 SD MET A 124 5.428 -6.254 2.407 1.00 0.00 S ATOM 715 CE MET A 124 6.458 -7.500 1.602 1.00 0.00 C ATOM 0 H MET A 124 1.913 -8.602 3.361 1.00 0.00 H new ATOM 0 HA MET A 124 3.718 -6.947 4.651 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.770 -6.456 2.351 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.923 -5.236 2.853 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.851 -8.074 2.260 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.622 -6.926 0.955 1.00 0.00 H new ATOM 0 HE1 MET A 124 7.509 -7.232 1.716 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.279 -8.472 2.062 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.209 -7.549 0.542 1.00 0.00 H new ATOM 725 N ILE A 125 0.673 -5.603 4.730 1.00 0.00 N ATOM 726 CA ILE A 125 -0.155 -4.681 5.493 1.00 0.00 C ATOM 727 C ILE A 125 -0.270 -5.141 6.941 1.00 0.00 C ATOM 728 O ILE A 125 -0.188 -4.331 7.865 1.00 0.00 O ATOM 729 CB ILE A 125 -1.561 -4.589 4.854 1.00 0.00 C ATOM 730 CG1 ILE A 125 -1.490 -3.791 3.531 1.00 0.00 C ATOM 731 CG2 ILE A 125 -2.556 -3.926 5.830 1.00 0.00 C ATOM 732 CD1 ILE A 125 -2.823 -3.916 2.778 1.00 0.00 C ATOM 0 H ILE A 125 0.236 -5.974 3.886 1.00 0.00 H new ATOM 0 HA ILE A 125 0.312 -3.696 5.478 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.914 -5.597 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.276 -2.743 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.675 -4.166 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.540 -3.869 5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.620 -4.519 6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.212 -2.921 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.769 -3.352 1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.019 -4.965 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.629 -3.519 3.396 1.00 0.00 H new ATOM 744 N ARG A 126 -0.457 -6.433 7.127 1.00 0.00 N ATOM 745 CA ARG A 126 -0.595 -6.986 8.464 1.00 0.00 C ATOM 746 C ARG A 126 0.558 -6.545 9.367 1.00 0.00 C ATOM 747 O ARG A 126 0.339 -6.156 10.510 1.00 0.00 O ATOM 748 CB ARG A 126 -0.625 -8.516 8.367 1.00 0.00 C ATOM 749 CG ARG A 126 -2.014 -8.995 7.904 1.00 0.00 C ATOM 750 CD ARG A 126 -2.947 -9.137 9.114 1.00 0.00 C ATOM 751 NE ARG A 126 -4.246 -9.659 8.704 1.00 0.00 N ATOM 752 CZ ARG A 126 -5.222 -9.818 9.586 1.00 0.00 C ATOM 753 NH1 ARG A 126 -5.019 -9.515 10.837 1.00 0.00 N ATOM 754 NH2 ARG A 126 -6.382 -10.268 9.203 1.00 0.00 N ATOM 0 H ARG A 126 -0.517 -7.119 6.374 1.00 0.00 H new ATOM 0 HA ARG A 126 -1.522 -6.618 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.137 -8.858 7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.386 -8.953 9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.434 -8.286 7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.925 -9.951 7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.497 -9.803 9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.075 -8.168 9.597 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.405 -9.905 7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.111 -9.157 11.134 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.768 -9.636 11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -6.541 -10.499 8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -7.132 -10.390 9.884 1.00 0.00 H new ATOM 768 N GLU A 127 1.781 -6.607 8.856 1.00 0.00 N ATOM 769 CA GLU A 127 2.941 -6.210 9.646 1.00 0.00 C ATOM 770 C GLU A 127 2.987 -4.695 9.806 1.00 0.00 C ATOM 771 O GLU A 127 3.917 -4.148 10.400 1.00 0.00 O ATOM 772 CB GLU A 127 4.229 -6.724 9.000 1.00 0.00 C ATOM 773 CG GLU A 127 4.239 -8.251 9.069 1.00 0.00 C ATOM 774 CD GLU A 127 5.491 -8.800 8.401 1.00 0.00 C ATOM 775 OE1 GLU A 127 6.318 -8.002 7.992 1.00 0.00 O ATOM 776 OE2 GLU A 127 5.606 -10.011 8.308 1.00 0.00 O ATOM 0 H GLU A 127 1.995 -6.924 7.910 1.00 0.00 H new ATOM 0 HA GLU A 127 2.852 -6.655 10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.290 -6.393 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.099 -6.317 9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.201 -8.575 10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.351 -8.650 8.578 1.00 0.00 H new ATOM 783 N ALA A 128 1.970 -4.021 9.271 1.00 0.00 N ATOM 784 CA ALA A 128 1.903 -2.562 9.362 1.00 0.00 C ATOM 785 C ALA A 128 0.470 -2.050 9.287 1.00 0.00 C ATOM 786 O ALA A 128 0.215 -0.991 8.713 1.00 0.00 O ATOM 787 CB ALA A 128 2.705 -1.956 8.225 1.00 0.00 C ATOM 0 H ALA A 128 1.190 -4.454 8.776 1.00 0.00 H new ATOM 0 HA ALA A 128 2.314 -2.268 10.328 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.659 -0.869 8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.743 -2.280 8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.289 -2.283 7.272 1.00 0.00 H new ATOM 793 N ASP A 129 -0.461 -2.794 9.870 1.00 0.00 N ATOM 794 CA ASP A 129 -1.869 -2.394 9.867 1.00 0.00 C ATOM 795 C ASP A 129 -2.291 -1.834 11.222 1.00 0.00 C ATOM 796 O ASP A 129 -2.465 -2.576 12.186 1.00 0.00 O ATOM 797 CB ASP A 129 -2.746 -3.591 9.521 1.00 0.00 C ATOM 798 CG ASP A 129 -4.147 -3.124 9.149 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.343 -2.762 8.000 1.00 0.00 O ATOM 800 OD2 ASP A 129 -5.003 -3.133 10.014 1.00 0.00 O ATOM 0 H ASP A 129 -0.272 -3.674 10.350 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.993 -1.612 9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.307 -4.145 8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.795 -4.273 10.370 1.00 0.00 H new ATOM 805 N ILE A 130 -2.497 -0.527 11.269 1.00 0.00 N ATOM 806 CA ILE A 130 -2.946 0.126 12.494 1.00 0.00 C ATOM 807 C ILE A 130 -4.412 -0.213 12.756 1.00 0.00 C ATOM 808 O ILE A 130 -5.080 -0.811 11.912 1.00 0.00 O ATOM 809 CB ILE A 130 -2.752 1.639 12.400 1.00 0.00 C ATOM 810 CG1 ILE A 130 -1.290 1.929 12.043 1.00 0.00 C ATOM 811 CG2 ILE A 130 -3.132 2.313 13.732 1.00 0.00 C ATOM 812 CD1 ILE A 130 -0.329 1.294 13.055 1.00 0.00 C ATOM 0 H ILE A 130 -2.362 0.102 10.478 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.346 -0.240 13.327 1.00 0.00 H new ATOM 0 HB ILE A 130 -3.401 2.045 11.624 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.075 1.546 11.045 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.128 3.007 12.013 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -2.988 3.390 13.649 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -4.177 2.103 13.961 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -2.500 1.923 14.530 1.00 0.00 H new ATOM 0 HD11 ILE A 130 0.699 1.519 12.771 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.528 1.697 14.048 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -0.474 0.214 13.066 1.00 0.00 H new ATOM 824 N ASP A 131 -4.908 0.190 13.922 1.00 0.00 N ATOM 825 CA ASP A 131 -6.302 -0.065 14.325 1.00 0.00 C ATOM 826 C ASP A 131 -6.753 -1.502 13.967 1.00 0.00 C ATOM 827 O ASP A 131 -7.919 -1.850 14.129 1.00 0.00 O ATOM 828 CB ASP A 131 -7.237 0.953 13.659 1.00 0.00 C ATOM 829 CG ASP A 131 -6.992 2.347 14.229 1.00 0.00 C ATOM 830 OD1 ASP A 131 -6.432 2.435 15.310 1.00 0.00 O ATOM 831 OD2 ASP A 131 -7.374 3.306 13.577 1.00 0.00 O ATOM 0 H ASP A 131 -4.364 0.701 14.617 1.00 0.00 H new ATOM 0 HA ASP A 131 -6.354 0.041 15.409 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -7.072 0.959 12.582 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -8.275 0.664 13.821 1.00 0.00 H new ATOM 836 N GLY A 132 -5.833 -2.298 13.425 1.00 0.00 N ATOM 837 CA GLY A 132 -6.135 -3.656 12.990 1.00 0.00 C ATOM 838 C GLY A 132 -7.491 -3.695 12.293 1.00 0.00 C ATOM 839 O GLY A 132 -8.419 -4.354 12.765 1.00 0.00 O ATOM 0 H GLY A 132 -4.863 -2.020 13.277 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.359 -4.010 12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.139 -4.328 13.848 1.00 0.00 H new ATOM 843 N ASP A 133 -7.609 -2.970 11.173 1.00 0.00 N ATOM 844 CA ASP A 133 -8.872 -2.914 10.422 1.00 0.00 C ATOM 845 C ASP A 133 -8.726 -3.528 9.030 1.00 0.00 C ATOM 846 O ASP A 133 -9.717 -3.934 8.425 1.00 0.00 O ATOM 847 CB ASP A 133 -9.328 -1.462 10.281 1.00 0.00 C ATOM 848 CG ASP A 133 -8.263 -0.651 9.554 1.00 0.00 C ATOM 849 OD1 ASP A 133 -7.171 -1.167 9.377 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.556 0.473 9.176 1.00 0.00 O ATOM 0 H ASP A 133 -6.853 -2.418 10.769 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.612 -3.490 10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.268 -1.419 9.731 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.515 -1.033 11.266 1.00 0.00 H new ATOM 855 N GLY A 134 -7.493 -3.596 8.522 1.00 0.00 N ATOM 856 CA GLY A 134 -7.246 -4.172 7.193 1.00 0.00 C ATOM 857 C GLY A 134 -6.957 -3.095 6.151 1.00 0.00 C ATOM 858 O GLY A 134 -6.817 -3.394 4.964 1.00 0.00 O ATOM 0 H GLY A 134 -6.657 -3.264 9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.403 -4.861 7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.114 -4.754 6.883 1.00 0.00 H new ATOM 862 N GLN A 135 -6.859 -1.846 6.595 1.00 0.00 N ATOM 863 CA GLN A 135 -6.563 -0.735 5.689 1.00 0.00 C ATOM 864 C GLN A 135 -5.527 0.171 6.315 1.00 0.00 C ATOM 865 O GLN A 135 -5.561 0.399 7.508 1.00 0.00 O ATOM 866 CB GLN A 135 -7.830 0.047 5.361 1.00 0.00 C ATOM 867 CG GLN A 135 -8.713 -0.805 4.449 1.00 0.00 C ATOM 868 CD GLN A 135 -9.907 0.004 3.959 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.818 0.692 2.939 1.00 0.00 O ATOM 870 NE2 GLN A 135 -11.027 -0.041 4.622 1.00 0.00 N ATOM 0 H GLN A 135 -6.979 -1.576 7.571 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.166 -1.138 4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.365 0.299 6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.577 0.987 4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -8.132 -1.160 3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -9.060 -1.687 4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -11.098 -0.611 5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -11.833 0.493 4.298 1.00 0.00 H new ATOM 879 N VAL A 136 -4.618 0.706 5.502 1.00 0.00 N ATOM 880 CA VAL A 136 -3.572 1.588 6.022 1.00 0.00 C ATOM 881 C VAL A 136 -3.367 2.820 5.142 1.00 0.00 C ATOM 882 O VAL A 136 -3.349 2.726 3.917 1.00 0.00 O ATOM 883 CB VAL A 136 -2.252 0.803 6.124 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.518 -0.635 6.545 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.505 0.796 4.786 1.00 0.00 C ATOM 0 H VAL A 136 -4.583 0.548 4.495 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.887 1.936 7.006 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.636 1.300 6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.574 -1.175 6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.011 -0.644 7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.160 -1.117 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.577 0.234 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.128 0.329 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.278 1.820 4.491 1.00 0.00 H new ATOM 895 N ASN A 137 -3.180 3.970 5.785 1.00 0.00 N ATOM 896 CA ASN A 137 -2.942 5.209 5.054 1.00 0.00 C ATOM 897 C ASN A 137 -1.623 5.125 4.287 1.00 0.00 C ATOM 898 O ASN A 137 -1.197 4.038 3.899 1.00 0.00 O ATOM 899 CB ASN A 137 -2.922 6.404 6.005 1.00 0.00 C ATOM 900 CG ASN A 137 -4.263 6.513 6.716 1.00 0.00 C ATOM 901 OD1 ASN A 137 -5.264 6.882 6.100 1.00 0.00 O ATOM 902 ND2 ASN A 137 -4.346 6.206 7.976 1.00 0.00 N ATOM 0 H ASN A 137 -3.189 4.069 6.800 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.757 5.349 4.343 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.121 6.288 6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.718 7.320 5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.242 6.270 8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.515 5.901 8.482 1.00 0.00 H new ATOM 909 N TYR A 138 -0.998 6.272 4.050 1.00 0.00 N ATOM 910 CA TYR A 138 0.251 6.316 3.300 1.00 0.00 C ATOM 911 C TYR A 138 1.458 5.913 4.162 1.00 0.00 C ATOM 912 O TYR A 138 2.172 4.977 3.828 1.00 0.00 O ATOM 913 CB TYR A 138 0.456 7.745 2.754 1.00 0.00 C ATOM 914 CG TYR A 138 -0.892 8.379 2.476 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.924 7.628 1.898 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.113 9.718 2.817 1.00 0.00 C ATOM 917 CE1 TYR A 138 -3.176 8.216 1.663 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.363 10.308 2.579 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.395 9.555 2.004 1.00 0.00 C ATOM 920 OH TYR A 138 -4.628 10.134 1.775 1.00 0.00 O ATOM 0 H TYR A 138 -1.335 7.182 4.365 1.00 0.00 H new ATOM 0 HA TYR A 138 0.182 5.598 2.482 1.00 0.00 H new ATOM 0 HB2 TYR A 138 1.010 8.345 3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.051 7.715 1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.755 6.595 1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.320 10.298 3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.971 7.635 1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.530 11.343 2.839 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.007 10.444 2.624 1.00 0.00 H new ATOM 930 N GLU A 139 1.674 6.623 5.270 1.00 0.00 N ATOM 931 CA GLU A 139 2.806 6.326 6.165 1.00 0.00 C ATOM 932 C GLU A 139 2.789 4.844 6.542 1.00 0.00 C ATOM 933 O GLU A 139 3.682 4.076 6.136 1.00 0.00 O ATOM 934 CB GLU A 139 2.726 7.211 7.428 1.00 0.00 C ATOM 935 CG GLU A 139 1.270 7.622 7.690 1.00 0.00 C ATOM 936 CD GLU A 139 1.127 8.177 9.104 1.00 0.00 C ATOM 937 OE1 GLU A 139 2.003 8.917 9.522 1.00 0.00 O ATOM 938 OE2 GLU A 139 0.143 7.854 9.750 1.00 0.00 O ATOM 0 H GLU A 139 1.089 7.402 5.572 1.00 0.00 H new ATOM 0 HA GLU A 139 3.742 6.545 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 139 3.120 6.669 8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.346 8.099 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 139 0.960 8.373 6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 139 0.613 6.762 7.560 1.00 0.00 H new ATOM 945 N GLU A 140 1.794 4.471 7.366 1.00 0.00 N ATOM 946 CA GLU A 140 1.635 3.086 7.830 1.00 0.00 C ATOM 947 C GLU A 140 2.103 2.127 6.732 1.00 0.00 C ATOM 948 O GLU A 140 2.588 1.032 7.001 1.00 0.00 O ATOM 949 CB GLU A 140 0.155 2.799 8.123 1.00 0.00 C ATOM 950 CG GLU A 140 -0.330 3.597 9.330 1.00 0.00 C ATOM 951 CD GLU A 140 -1.842 3.432 9.516 1.00 0.00 C ATOM 952 OE1 GLU A 140 -2.393 2.469 8.992 1.00 0.00 O ATOM 953 OE2 GLU A 140 -2.431 4.273 10.179 1.00 0.00 O ATOM 0 H GLU A 140 1.087 5.113 7.724 1.00 0.00 H new ATOM 0 HA GLU A 140 2.226 2.947 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.447 3.051 7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.017 1.734 8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.191 3.262 10.227 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -0.088 4.651 9.196 1.00 0.00 H new ATOM 960 N PHE A 141 1.982 2.600 5.487 1.00 0.00 N ATOM 961 CA PHE A 141 2.413 1.846 4.317 1.00 0.00 C ATOM 962 C PHE A 141 3.894 2.089 4.035 1.00 0.00 C ATOM 963 O PHE A 141 4.652 1.156 3.857 1.00 0.00 O ATOM 964 CB PHE A 141 1.602 2.286 3.082 1.00 0.00 C ATOM 965 CG PHE A 141 1.426 1.106 2.165 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.548 0.484 1.601 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.150 0.617 1.903 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.379 -0.626 0.768 1.00 0.00 C ATOM 969 CE2 PHE A 141 -0.021 -0.486 1.082 1.00 0.00 C ATOM 970 CZ PHE A 141 1.096 -1.113 0.506 1.00 0.00 C ATOM 0 H PHE A 141 1.584 3.513 5.268 1.00 0.00 H new ATOM 0 HA PHE A 141 2.250 0.787 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.630 2.673 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.117 3.094 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.539 0.860 1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.711 1.099 2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.240 -1.107 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.013 -0.864 0.885 1.00 0.00 H new ATOM 0 HZ PHE A 141 0.963 -1.970 -0.138 1.00 0.00 H new ATOM 980 N VAL A 142 4.275 3.369 3.947 1.00 0.00 N ATOM 981 CA VAL A 142 5.666 3.739 3.641 1.00 0.00 C ATOM 982 C VAL A 142 6.623 2.746 4.293 1.00 0.00 C ATOM 983 O VAL A 142 7.416 2.094 3.612 1.00 0.00 O ATOM 984 CB VAL A 142 5.968 5.161 4.143 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.477 5.443 4.065 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.221 6.166 3.265 1.00 0.00 C ATOM 0 H VAL A 142 3.647 4.161 4.082 1.00 0.00 H new ATOM 0 HA VAL A 142 5.803 3.714 2.560 1.00 0.00 H new ATOM 0 HB VAL A 142 5.644 5.253 5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.677 6.453 4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.014 4.725 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.811 5.352 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.429 7.178 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.552 6.063 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.150 5.975 3.324 1.00 0.00 H new ATOM 996 N GLN A 143 6.549 2.648 5.616 1.00 0.00 N ATOM 997 CA GLN A 143 7.419 1.738 6.365 1.00 0.00 C ATOM 998 C GLN A 143 7.528 0.370 5.671 1.00 0.00 C ATOM 999 O GLN A 143 8.427 -0.418 5.965 1.00 0.00 O ATOM 1000 CB GLN A 143 6.862 1.562 7.784 1.00 0.00 C ATOM 1001 CG GLN A 143 6.972 2.889 8.541 1.00 0.00 C ATOM 1002 CD GLN A 143 6.411 2.737 9.952 1.00 0.00 C ATOM 1003 OE1 GLN A 143 6.125 1.623 10.391 1.00 0.00 O ATOM 1004 NE2 GLN A 143 6.229 3.797 10.688 1.00 0.00 N ATOM 0 H GLN A 143 5.900 3.183 6.193 1.00 0.00 H new ATOM 0 HA GLN A 143 8.419 2.170 6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.821 1.240 7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.415 0.784 8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.014 3.204 8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 143 6.427 3.667 8.007 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.467 4.719 10.322 1.00 0.00 H new ATOM 0 HE22 GLN A 143 5.849 3.705 11.630 1.00 0.00 H new ATOM 1013 N MET A 144 6.613 0.124 4.736 1.00 0.00 N ATOM 1014 CA MET A 144 6.579 -1.123 3.958 1.00 0.00 C ATOM 1015 C MET A 144 7.173 -0.929 2.560 1.00 0.00 C ATOM 1016 O MET A 144 8.060 -1.677 2.149 1.00 0.00 O ATOM 1017 CB MET A 144 5.137 -1.629 3.838 1.00 0.00 C ATOM 1018 CG MET A 144 4.486 -1.588 5.217 1.00 0.00 C ATOM 1019 SD MET A 144 5.481 -2.568 6.373 1.00 0.00 S ATOM 1020 CE MET A 144 5.104 -4.204 5.697 1.00 0.00 C ATOM 0 H MET A 144 5.872 0.781 4.492 1.00 0.00 H new ATOM 0 HA MET A 144 7.184 -1.860 4.486 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.577 -1.010 3.137 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.125 -2.646 3.445 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.410 -0.558 5.566 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.471 -1.983 5.166 1.00 0.00 H new ATOM 0 HE1 MET A 144 4.863 -4.887 6.511 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.252 -4.131 5.021 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.969 -4.580 5.151 1.00 0.00 H new ATOM 1030 N MET A 145 6.672 0.064 1.826 1.00 0.00 N ATOM 1031 CA MET A 145 7.161 0.320 0.472 1.00 0.00 C ATOM 1032 C MET A 145 8.575 0.896 0.494 1.00 0.00 C ATOM 1033 O MET A 145 9.203 1.059 -0.552 1.00 0.00 O ATOM 1034 CB MET A 145 6.221 1.289 -0.256 1.00 0.00 C ATOM 1035 CG MET A 145 6.716 1.536 -1.697 1.00 0.00 C ATOM 1036 SD MET A 145 7.771 3.009 -1.736 1.00 0.00 S ATOM 1037 CE MET A 145 6.443 4.239 -1.757 1.00 0.00 C ATOM 0 H MET A 145 5.937 0.697 2.141 1.00 0.00 H new ATOM 0 HA MET A 145 7.185 -0.631 -0.059 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.211 0.880 -0.277 1.00 0.00 H new ATOM 0 HB3 MET A 145 6.171 2.234 0.285 1.00 0.00 H new ATOM 0 HG2 MET A 145 7.272 0.669 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.866 1.668 -2.366 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.466 4.783 -2.701 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.481 3.738 -1.651 1.00 0.00 H new ATOM 0 HE3 MET A 145 6.581 4.938 -0.932 1.00 0.00 H new