USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 695 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 143 CYS SG : rot -5:sc= -1.74! USER MOD Set 1.2: B 473 CYS SG : rot 67:sc= 0.479 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.602 K(o=-0.6,f=0) USER MOD Single : A 91 ASN : amide:sc= 0.485 K(o=0.49,f=-4.5!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1 X(o=-1,f=-0.62) USER MOD Single : A 98 SER OG : rot 73:sc= 0.492 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.17) USER MOD Single : A 109 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-6.4!) USER MOD Single : A 112 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.15) USER MOD Single : A 114 MET CE :methyl 176:sc= -0.756 (180deg=-0.761) USER MOD Single : A 116 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.1) USER MOD Single : A 119 GLN : amide:sc= 0.31 K(o=0.31,f=-0.55) USER MOD Single : A 123 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0196) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl 158:sc= -0.143 (180deg=-0.643) USER MOD Single : A 130 TYR OH : rot -30:sc= -0.389 USER MOD Single : A 131 MET CE :methyl 153:sc= -0.744 (180deg=-2.38!) USER MOD Single : A 132 GLN : amide:sc= 0.259 K(o=0.26,f=-0.37) USER MOD Single : A 142 CYS SG : rot 78:sc= -0.126 USER MOD Single : B 465 HIS : no HD1:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : B 468 ASN : amide:sc= -2.35! C(o=-2.3!,f=-3.2!) USER MOD Single : B 472 GLN : amide:sc= -1.62 K(o=-1.6,f=-0.85) USER MOD Single : B 476 TYR OH : rot 180:sc= -0.0321 USER MOD Single : B 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 480 LYS NZ :NH3+ 144:sc= 0.159 (180deg=0.000457) USER MOD ----------------------------------------------------------------- ATOM 70 N ARG A 86 -0.667 -11.429 -0.034 1.00 0.00 N ATOM 71 CA ARG A 86 -0.261 -10.609 -1.158 1.00 0.00 C ATOM 72 C ARG A 86 -1.265 -10.752 -2.287 1.00 0.00 C ATOM 73 O ARG A 86 -1.681 -11.860 -2.628 1.00 0.00 O ATOM 74 CB ARG A 86 1.135 -10.998 -1.630 1.00 0.00 C ATOM 75 CG ARG A 86 2.220 -10.650 -0.629 1.00 0.00 C ATOM 76 CD ARG A 86 3.558 -11.220 -1.044 1.00 0.00 C ATOM 77 NE ARG A 86 3.555 -12.681 -1.028 1.00 0.00 N ATOM 78 CZ ARG A 86 4.654 -13.428 -1.011 1.00 0.00 C ATOM 79 NH1 ARG A 86 5.854 -12.856 -0.998 1.00 0.00 N ATOM 80 NH2 ARG A 86 4.550 -14.751 -1.006 1.00 0.00 N ATOM 0 HA ARG A 86 -0.232 -9.566 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.160 -12.070 -1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.346 -10.496 -2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.297 -9.567 -0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.948 -11.035 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.808 -10.868 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.334 -10.851 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 86 2.653 -13.157 -1.030 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.934 -11.839 -1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.694 -13.434 -0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.629 -15.190 -1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.391 -15.329 -0.993 1.00 0.00 H new ATOM 94 N VAL A 87 -1.650 -9.628 -2.855 1.00 0.00 N ATOM 95 CA VAL A 87 -2.692 -9.600 -3.868 1.00 0.00 C ATOM 96 C VAL A 87 -2.076 -9.522 -5.267 1.00 0.00 C ATOM 97 O VAL A 87 -0.941 -9.069 -5.428 1.00 0.00 O ATOM 98 CB VAL A 87 -3.647 -8.408 -3.616 1.00 0.00 C ATOM 99 CG1 VAL A 87 -2.919 -7.081 -3.764 1.00 0.00 C ATOM 100 CG2 VAL A 87 -4.862 -8.471 -4.529 1.00 0.00 C ATOM 0 H VAL A 87 -1.255 -8.714 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.270 -10.522 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.002 -8.481 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.615 -6.262 -3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.103 -7.031 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.517 -6.997 -4.774 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.513 -7.620 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.537 -8.441 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.407 -9.397 -4.346 1.00 0.00 H new ATOM 110 N SER A 88 -2.823 -9.978 -6.268 1.00 0.00 N ATOM 111 CA SER A 88 -2.327 -10.037 -7.636 1.00 0.00 C ATOM 112 C SER A 88 -2.156 -8.636 -8.223 1.00 0.00 C ATOM 113 O SER A 88 -2.865 -7.696 -7.853 1.00 0.00 O ATOM 114 CB SER A 88 -3.288 -10.858 -8.492 1.00 0.00 C ATOM 115 OG SER A 88 -3.482 -12.150 -7.937 1.00 0.00 O ATOM 0 H SER A 88 -3.780 -10.314 -6.154 1.00 0.00 H new ATOM 0 HA SER A 88 -1.348 -10.515 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.245 -10.343 -8.567 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.894 -10.948 -9.504 1.00 0.00 H new ATOM 0 HG SER A 88 -4.102 -12.658 -8.500 1.00 0.00 H new ATOM 121 N LEU A 89 -1.214 -8.528 -9.160 1.00 0.00 N ATOM 122 CA LEU A 89 -0.829 -7.251 -9.751 1.00 0.00 C ATOM 123 C LEU A 89 -1.992 -6.634 -10.517 1.00 0.00 C ATOM 124 O LEU A 89 -2.133 -5.416 -10.560 1.00 0.00 O ATOM 125 CB LEU A 89 0.368 -7.449 -10.692 1.00 0.00 C ATOM 126 CG LEU A 89 1.521 -6.447 -10.535 1.00 0.00 C ATOM 127 CD1 LEU A 89 1.034 -5.015 -10.699 1.00 0.00 C ATOM 128 CD2 LEU A 89 2.211 -6.631 -9.192 1.00 0.00 C ATOM 0 H LEU A 89 -0.697 -9.326 -9.530 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.548 -6.572 -8.946 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.763 -8.453 -10.539 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.009 -7.401 -11.720 1.00 0.00 H new ATOM 0 HG LEU A 89 2.246 -6.644 -11.325 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.873 -4.330 -10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.599 -4.890 -11.690 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.281 -4.798 -9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.025 -5.912 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.492 -6.470 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.611 -7.643 -9.124 1.00 0.00 H new ATOM 140 N GLN A 90 -2.821 -7.483 -11.118 1.00 0.00 N ATOM 141 CA GLN A 90 -3.994 -7.022 -11.858 1.00 0.00 C ATOM 142 C GLN A 90 -4.896 -6.167 -10.970 1.00 0.00 C ATOM 143 O GLN A 90 -5.428 -5.147 -11.407 1.00 0.00 O ATOM 144 CB GLN A 90 -4.782 -8.213 -12.418 1.00 0.00 C ATOM 145 CG GLN A 90 -5.163 -9.251 -11.372 1.00 0.00 C ATOM 146 CD GLN A 90 -6.150 -10.280 -11.892 1.00 0.00 C ATOM 147 OE1 GLN A 90 -6.947 -10.827 -11.130 1.00 0.00 O ATOM 148 NE2 GLN A 90 -6.115 -10.545 -13.188 1.00 0.00 N ATOM 0 H GLN A 90 -2.703 -8.496 -11.107 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.647 -6.409 -12.690 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.690 -7.843 -12.895 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.188 -8.696 -13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.263 -9.760 -11.028 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.594 -8.747 -10.507 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.440 -10.071 -13.787 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.763 -11.223 -13.588 1.00 0.00 H new ATOM 157 N ASN A 91 -5.035 -6.582 -9.719 1.00 0.00 N ATOM 158 CA ASN A 91 -5.856 -5.868 -8.751 1.00 0.00 C ATOM 159 C ASN A 91 -5.227 -4.532 -8.402 1.00 0.00 C ATOM 160 O ASN A 91 -5.920 -3.530 -8.232 1.00 0.00 O ATOM 161 CB ASN A 91 -6.032 -6.699 -7.479 1.00 0.00 C ATOM 162 CG ASN A 91 -6.961 -7.880 -7.668 1.00 0.00 C ATOM 163 OD1 ASN A 91 -7.103 -8.412 -8.767 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.592 -8.309 -6.591 1.00 0.00 N ATOM 0 H ASN A 91 -4.585 -7.418 -9.348 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.834 -5.695 -9.201 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.058 -7.059 -7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.421 -6.061 -6.686 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.223 -9.108 -6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.449 -7.842 -5.696 1.00 0.00 H new ATOM 171 N LEU A 92 -3.905 -4.526 -8.310 1.00 0.00 N ATOM 172 CA LEU A 92 -3.167 -3.316 -7.991 1.00 0.00 C ATOM 173 C LEU A 92 -3.256 -2.331 -9.150 1.00 0.00 C ATOM 174 O LEU A 92 -3.370 -1.130 -8.948 1.00 0.00 O ATOM 175 CB LEU A 92 -1.703 -3.649 -7.684 1.00 0.00 C ATOM 176 CG LEU A 92 -1.494 -4.628 -6.529 1.00 0.00 C ATOM 177 CD1 LEU A 92 -0.018 -4.959 -6.375 1.00 0.00 C ATOM 178 CD2 LEU A 92 -2.047 -4.046 -5.236 1.00 0.00 C ATOM 0 H LEU A 92 -3.321 -5.350 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.608 -2.858 -7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.244 -4.065 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.175 -2.723 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.032 -5.549 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.114 -5.657 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.351 -5.412 -7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.540 -4.045 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.891 -4.754 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.533 -3.112 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.114 -3.854 -5.350 1.00 0.00 H new ATOM 190 N LYS A 93 -3.234 -2.857 -10.367 1.00 0.00 N ATOM 191 CA LYS A 93 -3.339 -2.032 -11.570 1.00 0.00 C ATOM 192 C LYS A 93 -4.636 -1.222 -11.590 1.00 0.00 C ATOM 193 O LYS A 93 -4.697 -0.140 -12.181 1.00 0.00 O ATOM 194 CB LYS A 93 -3.256 -2.911 -12.815 1.00 0.00 C ATOM 195 CG LYS A 93 -1.878 -3.509 -13.041 1.00 0.00 C ATOM 196 CD LYS A 93 -1.849 -4.401 -14.268 1.00 0.00 C ATOM 197 CE LYS A 93 -0.459 -4.962 -14.510 1.00 0.00 C ATOM 198 NZ LYS A 93 -0.414 -5.854 -15.698 1.00 0.00 N ATOM 0 H LYS A 93 -3.144 -3.856 -10.551 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.507 -1.328 -11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.984 -3.717 -12.730 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.535 -2.320 -13.687 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.148 -2.708 -13.156 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.583 -4.086 -12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.557 -5.220 -14.142 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.171 -3.833 -15.141 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.244 -4.140 -14.648 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.134 -5.516 -13.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.553 -6.214 -15.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.065 -6.653 -15.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.699 -5.320 -16.544 1.00 0.00 H new ATOM 212 N ASN A 94 -5.657 -1.740 -10.921 1.00 0.00 N ATOM 213 CA ASN A 94 -6.969 -1.099 -10.880 1.00 0.00 C ATOM 214 C ASN A 94 -6.944 0.153 -10.005 1.00 0.00 C ATOM 215 O ASN A 94 -7.828 1.007 -10.104 1.00 0.00 O ATOM 216 CB ASN A 94 -8.016 -2.075 -10.339 1.00 0.00 C ATOM 217 CG ASN A 94 -8.148 -3.331 -11.177 1.00 0.00 C ATOM 218 OD1 ASN A 94 -8.021 -3.299 -12.401 1.00 0.00 O ATOM 219 ND2 ASN A 94 -8.385 -4.450 -10.517 1.00 0.00 N ATOM 0 H ASN A 94 -5.603 -2.611 -10.393 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.230 -0.808 -11.897 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.752 -2.353 -9.318 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.982 -1.573 -10.293 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.469 -5.332 -11.022 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.484 -4.432 -9.502 1.00 0.00 H new ATOM 226 N LEU A 95 -5.927 0.259 -9.157 1.00 0.00 N ATOM 227 CA LEU A 95 -5.812 1.376 -8.223 1.00 0.00 C ATOM 228 C LEU A 95 -5.692 2.701 -8.963 1.00 0.00 C ATOM 229 O LEU A 95 -6.478 3.621 -8.734 1.00 0.00 O ATOM 230 CB LEU A 95 -4.599 1.183 -7.311 1.00 0.00 C ATOM 231 CG LEU A 95 -4.642 -0.052 -6.411 1.00 0.00 C ATOM 232 CD1 LEU A 95 -3.323 -0.215 -5.678 1.00 0.00 C ATOM 233 CD2 LEU A 95 -5.789 0.039 -5.420 1.00 0.00 C ATOM 0 H LEU A 95 -5.166 -0.418 -9.096 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.718 1.400 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.705 1.128 -7.932 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.496 2.067 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.805 -0.927 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.368 -1.098 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.516 -0.330 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.137 0.666 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.798 -0.851 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.661 0.923 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.732 0.111 -5.961 1.00 0.00 H new ATOM 245 N GLY A 96 -4.717 2.782 -9.863 1.00 0.00 N ATOM 246 CA GLY A 96 -4.485 4.006 -10.612 1.00 0.00 C ATOM 247 C GLY A 96 -5.656 4.392 -11.499 1.00 0.00 C ATOM 248 O GLY A 96 -5.802 5.560 -11.867 1.00 0.00 O ATOM 0 H GLY A 96 -4.080 2.018 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.282 4.819 -9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.594 3.885 -11.228 1.00 0.00 H new ATOM 252 N GLU A 97 -6.500 3.417 -11.822 1.00 0.00 N ATOM 253 CA GLU A 97 -7.648 3.646 -12.691 1.00 0.00 C ATOM 254 C GLU A 97 -8.761 4.359 -11.937 1.00 0.00 C ATOM 255 O GLU A 97 -9.636 4.983 -12.538 1.00 0.00 O ATOM 256 CB GLU A 97 -8.179 2.317 -13.231 1.00 0.00 C ATOM 257 CG GLU A 97 -7.140 1.496 -13.973 1.00 0.00 C ATOM 258 CD GLU A 97 -6.590 2.209 -15.186 1.00 0.00 C ATOM 259 OE1 GLU A 97 -5.600 2.953 -15.044 1.00 0.00 O ATOM 260 OE2 GLU A 97 -7.135 2.021 -16.293 1.00 0.00 O ATOM 0 H GLU A 97 -6.409 2.456 -11.493 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.321 4.272 -13.521 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.568 1.728 -12.400 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.016 2.516 -13.900 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.321 1.256 -13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.584 0.550 -14.283 1.00 0.00 H new ATOM 267 N SER A 98 -8.712 4.266 -10.618 1.00 0.00 N ATOM 268 CA SER A 98 -9.759 4.802 -9.774 1.00 0.00 C ATOM 269 C SER A 98 -9.472 6.259 -9.417 1.00 0.00 C ATOM 270 O SER A 98 -8.472 6.568 -8.761 1.00 0.00 O ATOM 271 CB SER A 98 -9.875 3.944 -8.518 1.00 0.00 C ATOM 272 OG SER A 98 -9.991 2.569 -8.863 1.00 0.00 O ATOM 0 H SER A 98 -7.950 3.819 -10.108 1.00 0.00 H new ATOM 0 HA SER A 98 -10.707 4.778 -10.312 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.000 4.094 -7.886 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.744 4.254 -7.938 1.00 0.00 H new ATOM 0 HG SER A 98 -9.123 2.235 -9.174 1.00 0.00 H new ATOM 278 N ALA A 99 -10.360 7.143 -9.856 1.00 0.00 N ATOM 279 CA ALA A 99 -10.199 8.578 -9.660 1.00 0.00 C ATOM 280 C ALA A 99 -10.256 8.952 -8.184 1.00 0.00 C ATOM 281 O ALA A 99 -9.657 9.944 -7.761 1.00 0.00 O ATOM 282 CB ALA A 99 -11.264 9.338 -10.435 1.00 0.00 C ATOM 0 H ALA A 99 -11.210 6.886 -10.357 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.215 8.856 -10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.132 10.409 -10.280 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.172 9.111 -11.497 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.252 9.039 -10.084 1.00 0.00 H new ATOM 288 N THR A 100 -10.964 8.152 -7.403 1.00 0.00 N ATOM 289 CA THR A 100 -11.119 8.417 -5.982 1.00 0.00 C ATOM 290 C THR A 100 -9.806 8.194 -5.235 1.00 0.00 C ATOM 291 O THR A 100 -9.414 9.001 -4.393 1.00 0.00 O ATOM 292 CB THR A 100 -12.220 7.528 -5.371 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.450 7.722 -6.084 1.00 0.00 O ATOM 294 CG2 THR A 100 -12.423 7.854 -3.898 1.00 0.00 C ATOM 0 H THR A 100 -11.441 7.312 -7.730 1.00 0.00 H new ATOM 0 HA THR A 100 -11.410 9.462 -5.876 1.00 0.00 H new ATOM 0 HB THR A 100 -11.909 6.487 -5.455 1.00 0.00 H new ATOM 0 HG1 THR A 100 -14.147 7.154 -5.694 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.205 7.214 -3.488 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.493 7.683 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.717 8.898 -3.794 1.00 0.00 H new ATOM 302 N LEU A 101 -9.109 7.116 -5.576 1.00 0.00 N ATOM 303 CA LEU A 101 -7.887 6.756 -4.873 1.00 0.00 C ATOM 304 C LEU A 101 -6.781 7.747 -5.186 1.00 0.00 C ATOM 305 O LEU A 101 -6.138 8.275 -4.286 1.00 0.00 O ATOM 306 CB LEU A 101 -7.431 5.346 -5.248 1.00 0.00 C ATOM 307 CG LEU A 101 -6.152 4.885 -4.545 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.400 4.664 -3.062 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.608 3.626 -5.191 1.00 0.00 C ATOM 0 H LEU A 101 -9.368 6.481 -6.331 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.101 6.781 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.232 4.645 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.274 5.303 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.405 5.672 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.477 4.337 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.734 5.596 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.167 3.901 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.699 3.316 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.352 2.832 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.382 3.823 -6.239 1.00 0.00 H new ATOM 321 N ARG A 102 -6.578 8.010 -6.470 1.00 0.00 N ATOM 322 CA ARG A 102 -5.515 8.906 -6.911 1.00 0.00 C ATOM 323 C ARG A 102 -5.690 10.312 -6.340 1.00 0.00 C ATOM 324 O ARG A 102 -4.714 11.033 -6.158 1.00 0.00 O ATOM 325 CB ARG A 102 -5.455 8.967 -8.433 1.00 0.00 C ATOM 326 CG ARG A 102 -6.796 9.250 -9.080 1.00 0.00 C ATOM 327 CD ARG A 102 -6.629 9.666 -10.525 1.00 0.00 C ATOM 328 NE ARG A 102 -5.944 8.642 -11.310 1.00 0.00 N ATOM 329 CZ ARG A 102 -5.068 8.908 -12.279 1.00 0.00 C ATOM 330 NH1 ARG A 102 -4.763 10.163 -12.578 1.00 0.00 N ATOM 331 NH2 ARG A 102 -4.498 7.914 -12.949 1.00 0.00 N ATOM 0 H ARG A 102 -7.136 7.615 -7.227 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.575 8.502 -6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.747 9.740 -8.730 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.070 8.020 -8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.424 8.361 -9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.310 10.038 -8.529 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.608 9.864 -10.961 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.065 10.598 -10.572 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.148 7.664 -11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.199 10.930 -12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.092 10.362 -13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.730 6.947 -12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.828 8.117 -13.691 1.00 0.00 H new ATOM 345 N SER A 103 -6.933 10.693 -6.048 1.00 0.00 N ATOM 346 CA SER A 103 -7.210 11.987 -5.438 1.00 0.00 C ATOM 347 C SER A 103 -6.524 12.076 -4.075 1.00 0.00 C ATOM 348 O SER A 103 -6.127 13.154 -3.625 1.00 0.00 O ATOM 349 CB SER A 103 -8.721 12.191 -5.289 1.00 0.00 C ATOM 350 OG SER A 103 -9.023 13.491 -4.813 1.00 0.00 O ATOM 0 H SER A 103 -7.761 10.123 -6.225 1.00 0.00 H new ATOM 0 HA SER A 103 -6.818 12.774 -6.082 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.208 12.032 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.124 11.447 -4.601 1.00 0.00 H new ATOM 0 HG SER A 103 -9.994 13.591 -4.730 1.00 0.00 H new ATOM 356 N LEU A 104 -6.358 10.926 -3.440 1.00 0.00 N ATOM 357 CA LEU A 104 -5.725 10.852 -2.137 1.00 0.00 C ATOM 358 C LEU A 104 -4.207 10.907 -2.291 1.00 0.00 C ATOM 359 O LEU A 104 -3.505 11.461 -1.445 1.00 0.00 O ATOM 360 CB LEU A 104 -6.149 9.565 -1.426 1.00 0.00 C ATOM 361 CG LEU A 104 -7.647 9.249 -1.499 1.00 0.00 C ATOM 362 CD1 LEU A 104 -7.964 7.987 -0.721 1.00 0.00 C ATOM 363 CD2 LEU A 104 -8.477 10.417 -0.987 1.00 0.00 C ATOM 0 H LEU A 104 -6.657 10.025 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.042 11.703 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.595 8.730 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.858 9.634 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.907 9.084 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.032 7.779 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.406 7.151 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.682 8.123 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.536 10.166 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.214 10.623 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.277 11.300 -1.594 1.00 0.00 H new ATOM 375 N LEU A 105 -3.719 10.363 -3.402 1.00 0.00 N ATOM 376 CA LEU A 105 -2.291 10.377 -3.724 1.00 0.00 C ATOM 377 C LEU A 105 -1.825 11.803 -3.982 1.00 0.00 C ATOM 378 O LEU A 105 -0.640 12.125 -3.869 1.00 0.00 O ATOM 379 CB LEU A 105 -2.013 9.529 -4.971 1.00 0.00 C ATOM 380 CG LEU A 105 -1.928 8.010 -4.771 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.184 7.452 -4.126 1.00 0.00 C ATOM 382 CD2 LEU A 105 -1.681 7.333 -6.109 1.00 0.00 C ATOM 0 H LEU A 105 -4.298 9.901 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.748 9.961 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.796 9.732 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.074 9.867 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.097 7.806 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.082 6.374 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.329 7.917 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.044 7.664 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.621 6.254 -5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.500 7.563 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.744 7.695 -6.533 1.00 0.00 H new ATOM 394 N LEU A 106 -2.778 12.652 -4.333 1.00 0.00 N ATOM 395 CA LEU A 106 -2.502 14.044 -4.632 1.00 0.00 C ATOM 396 C LEU A 106 -2.189 14.827 -3.356 1.00 0.00 C ATOM 397 O LEU A 106 -1.755 15.976 -3.413 1.00 0.00 O ATOM 398 CB LEU A 106 -3.690 14.656 -5.369 1.00 0.00 C ATOM 399 CG LEU A 106 -4.093 13.931 -6.657 1.00 0.00 C ATOM 400 CD1 LEU A 106 -5.215 14.669 -7.355 1.00 0.00 C ATOM 401 CD2 LEU A 106 -2.901 13.766 -7.592 1.00 0.00 C ATOM 0 H LEU A 106 -3.761 12.394 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.623 14.098 -5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.547 14.673 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.454 15.692 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.447 12.937 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.487 14.139 -8.268 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.081 14.723 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.886 15.678 -7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.218 13.248 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.506 14.747 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.126 13.184 -7.094 1.00 0.00 H new ATOM 413 N ASN A 107 -2.399 14.193 -2.204 1.00 0.00 N ATOM 414 CA ASN A 107 -2.043 14.798 -0.924 1.00 0.00 C ATOM 415 C ASN A 107 -0.551 14.641 -0.674 1.00 0.00 C ATOM 416 O ASN A 107 -0.038 13.520 -0.633 1.00 0.00 O ATOM 417 CB ASN A 107 -2.809 14.157 0.239 1.00 0.00 C ATOM 418 CG ASN A 107 -4.289 14.478 0.236 1.00 0.00 C ATOM 419 OD1 ASN A 107 -4.714 15.507 0.760 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.083 13.585 -0.322 1.00 0.00 N ATOM 0 H ASN A 107 -2.813 13.263 -2.131 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.311 15.853 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.680 13.076 0.197 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.374 14.494 1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.092 13.734 -0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.688 12.745 -0.745 1.00 0.00 H new ATOM 427 N PRO A 108 0.167 15.761 -0.501 1.00 0.00 N ATOM 428 CA PRO A 108 1.616 15.748 -0.271 1.00 0.00 C ATOM 429 C PRO A 108 2.000 15.042 1.029 1.00 0.00 C ATOM 430 O PRO A 108 3.143 14.625 1.201 1.00 0.00 O ATOM 431 CB PRO A 108 1.996 17.231 -0.218 1.00 0.00 C ATOM 432 CG PRO A 108 0.728 17.950 0.085 1.00 0.00 C ATOM 433 CD PRO A 108 -0.374 17.132 -0.526 1.00 0.00 C ATOM 0 HA PRO A 108 2.139 15.196 -1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.747 17.418 0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.420 17.563 -1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.586 18.052 1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.742 18.957 -0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.298 17.210 0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.600 17.457 -1.542 1.00 0.00 H new ATOM 441 N HIS A 109 1.046 14.911 1.944 1.00 0.00 N ATOM 442 CA HIS A 109 1.279 14.164 3.173 1.00 0.00 C ATOM 443 C HIS A 109 1.109 12.668 2.936 1.00 0.00 C ATOM 444 O HIS A 109 1.971 11.875 3.297 1.00 0.00 O ATOM 445 CB HIS A 109 0.336 14.635 4.287 1.00 0.00 C ATOM 446 CG HIS A 109 0.340 13.740 5.491 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.314 13.823 6.454 1.00 0.00 N ATOM 448 CD2 HIS A 109 -0.511 12.738 5.808 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.036 12.870 7.327 1.00 0.00 C ATOM 450 NE2 HIS A 109 -0.064 12.192 6.983 1.00 0.00 N ATOM 0 H HIS A 109 0.111 15.309 1.859 1.00 0.00 H new ATOM 0 HA HIS A 109 2.305 14.351 3.489 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.620 15.642 4.592 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.678 14.696 3.892 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -1.377 12.427 5.243 1.00 0.00 H new ATOM 0 HE1 HIS A 109 1.625 12.664 8.209 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -0.488 11.419 7.495 1.00 0.00 H new ATOM 458 N LEU A 110 0.000 12.292 2.318 1.00 0.00 N ATOM 459 CA LEU A 110 -0.343 10.888 2.137 1.00 0.00 C ATOM 460 C LEU A 110 0.700 10.191 1.267 1.00 0.00 C ATOM 461 O LEU A 110 1.112 9.066 1.555 1.00 0.00 O ATOM 462 CB LEU A 110 -1.734 10.790 1.503 1.00 0.00 C ATOM 463 CG LEU A 110 -2.544 9.535 1.837 1.00 0.00 C ATOM 464 CD1 LEU A 110 -3.959 9.678 1.307 1.00 0.00 C ATOM 465 CD2 LEU A 110 -1.892 8.292 1.254 1.00 0.00 C ATOM 0 H LEU A 110 -0.683 12.944 1.931 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.355 10.388 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.312 11.662 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.621 10.847 0.420 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.574 9.425 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.530 8.781 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.434 10.545 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.931 9.810 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.489 7.416 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.830 8.388 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.889 8.180 1.667 1.00 0.00 H new ATOM 477 N ARG A 111 1.133 10.871 0.211 1.00 0.00 N ATOM 478 CA ARG A 111 2.162 10.326 -0.671 1.00 0.00 C ATOM 479 C ARG A 111 3.460 10.104 0.096 1.00 0.00 C ATOM 480 O ARG A 111 4.234 9.201 -0.223 1.00 0.00 O ATOM 481 CB ARG A 111 2.411 11.247 -1.867 1.00 0.00 C ATOM 482 CG ARG A 111 2.942 12.619 -1.494 1.00 0.00 C ATOM 483 CD ARG A 111 3.302 13.419 -2.730 1.00 0.00 C ATOM 484 NE ARG A 111 2.175 13.521 -3.652 1.00 0.00 N ATOM 485 CZ ARG A 111 2.256 14.052 -4.872 1.00 0.00 C ATOM 486 NH1 ARG A 111 3.407 14.544 -5.313 1.00 0.00 N ATOM 487 NH2 ARG A 111 1.186 14.078 -5.655 1.00 0.00 N ATOM 0 H ARG A 111 0.791 11.794 -0.055 1.00 0.00 H new ATOM 0 HA ARG A 111 1.804 9.368 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.120 10.766 -2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.479 11.368 -2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.192 13.157 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.820 12.512 -0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.624 14.418 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 111 4.145 12.948 -3.236 1.00 0.00 H new ATOM 0 HE ARG A 111 1.270 13.164 -3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.235 14.517 -4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.464 14.949 -6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.302 13.692 -5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.247 14.484 -6.589 1.00 0.00 H new ATOM 501 N GLN A 112 3.684 10.929 1.116 1.00 0.00 N ATOM 502 CA GLN A 112 4.838 10.774 1.983 1.00 0.00 C ATOM 503 C GLN A 112 4.757 9.458 2.736 1.00 0.00 C ATOM 504 O GLN A 112 5.715 8.695 2.745 1.00 0.00 O ATOM 505 CB GLN A 112 4.953 11.949 2.952 1.00 0.00 C ATOM 506 CG GLN A 112 5.829 13.071 2.428 1.00 0.00 C ATOM 507 CD GLN A 112 7.301 12.710 2.483 1.00 0.00 C ATOM 508 OE1 GLN A 112 7.972 12.965 3.483 1.00 0.00 O ATOM 509 NE2 GLN A 112 7.811 12.112 1.420 1.00 0.00 N ATOM 0 H GLN A 112 3.077 11.712 1.359 1.00 0.00 H new ATOM 0 HA GLN A 112 5.735 10.763 1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 112 3.957 12.340 3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.358 11.592 3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.549 13.300 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.654 13.973 3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.220 11.919 0.611 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.795 11.844 1.409 1.00 0.00 H new ATOM 518 N LEU A 113 3.608 9.184 3.348 1.00 0.00 N ATOM 519 CA LEU A 113 3.386 7.901 4.005 1.00 0.00 C ATOM 520 C LEU A 113 3.699 6.751 3.057 1.00 0.00 C ATOM 521 O LEU A 113 4.370 5.789 3.429 1.00 0.00 O ATOM 522 CB LEU A 113 1.942 7.780 4.491 1.00 0.00 C ATOM 523 CG LEU A 113 1.629 8.477 5.814 1.00 0.00 C ATOM 524 CD1 LEU A 113 1.589 9.973 5.666 1.00 0.00 C ATOM 525 CD2 LEU A 113 0.323 7.967 6.377 1.00 0.00 C ATOM 0 H LEU A 113 2.821 9.830 3.402 1.00 0.00 H new ATOM 0 HA LEU A 113 4.054 7.849 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.284 8.186 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.699 6.722 4.592 1.00 0.00 H new ATOM 0 HG LEU A 113 2.435 8.241 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.363 10.428 6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.557 10.330 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.818 10.247 4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.111 8.472 7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.481 8.168 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.395 6.893 6.549 1.00 0.00 H new ATOM 537 N MET A 114 3.221 6.870 1.828 1.00 0.00 N ATOM 538 CA MET A 114 3.470 5.862 0.809 1.00 0.00 C ATOM 539 C MET A 114 4.968 5.651 0.595 1.00 0.00 C ATOM 540 O MET A 114 5.479 4.551 0.803 1.00 0.00 O ATOM 541 CB MET A 114 2.792 6.260 -0.505 1.00 0.00 C ATOM 542 CG MET A 114 1.287 6.037 -0.502 1.00 0.00 C ATOM 543 SD MET A 114 0.457 6.881 -1.863 1.00 0.00 S ATOM 544 CE MET A 114 1.286 6.158 -3.274 1.00 0.00 C ATOM 0 H MET A 114 2.656 7.658 1.511 1.00 0.00 H new ATOM 0 HA MET A 114 3.046 4.919 1.154 1.00 0.00 H new ATOM 0 HB2 MET A 114 2.995 7.312 -0.706 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.235 5.689 -1.321 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.082 4.968 -0.563 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.874 6.387 0.444 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.831 6.529 -4.193 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.341 6.431 -3.255 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.191 5.073 -3.235 1.00 0.00 H new ATOM 554 N VAL A 115 5.676 6.711 0.216 1.00 0.00 N ATOM 555 CA VAL A 115 7.098 6.592 -0.099 1.00 0.00 C ATOM 556 C VAL A 115 7.921 6.239 1.137 1.00 0.00 C ATOM 557 O VAL A 115 8.977 5.628 1.026 1.00 0.00 O ATOM 558 CB VAL A 115 7.668 7.872 -0.750 1.00 0.00 C ATOM 559 CG1 VAL A 115 6.912 8.209 -2.027 1.00 0.00 C ATOM 560 CG2 VAL A 115 7.641 9.041 0.218 1.00 0.00 C ATOM 0 H VAL A 115 5.295 7.652 0.120 1.00 0.00 H new ATOM 0 HA VAL A 115 7.176 5.780 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 115 8.709 7.680 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.330 9.114 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.005 7.384 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.859 8.371 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.048 9.927 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.613 9.236 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.242 8.801 1.095 1.00 0.00 H new ATOM 570 N ASN A 116 7.440 6.629 2.308 1.00 0.00 N ATOM 571 CA ASN A 116 8.115 6.305 3.556 1.00 0.00 C ATOM 572 C ASN A 116 7.984 4.822 3.878 1.00 0.00 C ATOM 573 O ASN A 116 8.980 4.132 4.108 1.00 0.00 O ATOM 574 CB ASN A 116 7.540 7.123 4.715 1.00 0.00 C ATOM 575 CG ASN A 116 7.984 8.573 4.717 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.074 8.909 4.248 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.142 9.442 5.260 1.00 0.00 N ATOM 0 H ASN A 116 6.583 7.171 2.420 1.00 0.00 H new ATOM 0 HA ASN A 116 9.169 6.552 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.452 7.086 4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.836 6.660 5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 116 7.386 10.431 5.301 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.250 9.121 5.636 1.00 0.00 H new ATOM 584 N LEU A 117 6.746 4.339 3.890 1.00 0.00 N ATOM 585 CA LEU A 117 6.450 2.959 4.262 1.00 0.00 C ATOM 586 C LEU A 117 7.104 1.957 3.312 1.00 0.00 C ATOM 587 O LEU A 117 7.615 0.924 3.751 1.00 0.00 O ATOM 588 CB LEU A 117 4.933 2.741 4.279 1.00 0.00 C ATOM 589 CG LEU A 117 4.468 1.333 4.659 1.00 0.00 C ATOM 590 CD1 LEU A 117 4.855 1.006 6.094 1.00 0.00 C ATOM 591 CD2 LEU A 117 2.963 1.208 4.469 1.00 0.00 C ATOM 0 H LEU A 117 5.923 4.889 3.644 1.00 0.00 H new ATOM 0 HA LEU A 117 6.862 2.790 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.490 3.451 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.539 2.979 3.291 1.00 0.00 H new ATOM 0 HG LEU A 117 4.963 0.617 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.515 0.001 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.939 1.059 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.389 1.724 6.769 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.644 0.202 4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.455 1.935 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.711 1.397 3.426 1.00 0.00 H new ATOM 603 N ASP A 118 7.102 2.271 2.020 1.00 0.00 N ATOM 604 CA ASP A 118 7.578 1.334 1.002 1.00 0.00 C ATOM 605 C ASP A 118 9.078 1.082 1.126 1.00 0.00 C ATOM 606 O ASP A 118 9.561 0.003 0.777 1.00 0.00 O ATOM 607 CB ASP A 118 7.245 1.845 -0.401 1.00 0.00 C ATOM 608 CG ASP A 118 7.542 0.818 -1.481 1.00 0.00 C ATOM 609 OD1 ASP A 118 7.221 -0.374 -1.275 1.00 0.00 O ATOM 610 OD2 ASP A 118 8.075 1.197 -2.543 1.00 0.00 O ATOM 0 H ASP A 118 6.777 3.165 1.651 1.00 0.00 H new ATOM 0 HA ASP A 118 7.063 0.387 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.191 2.118 -0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.817 2.751 -0.599 1.00 0.00 H new ATOM 615 N GLN A 119 9.808 2.067 1.651 1.00 0.00 N ATOM 616 CA GLN A 119 11.253 1.930 1.831 1.00 0.00 C ATOM 617 C GLN A 119 11.559 0.826 2.825 1.00 0.00 C ATOM 618 O GLN A 119 12.586 0.154 2.748 1.00 0.00 O ATOM 619 CB GLN A 119 11.864 3.243 2.313 1.00 0.00 C ATOM 620 CG GLN A 119 11.596 4.396 1.374 1.00 0.00 C ATOM 621 CD GLN A 119 12.260 5.689 1.801 1.00 0.00 C ATOM 622 OE1 GLN A 119 13.322 5.691 2.420 1.00 0.00 O ATOM 623 NE2 GLN A 119 11.620 6.804 1.487 1.00 0.00 N ATOM 0 H GLN A 119 9.426 2.962 1.957 1.00 0.00 H new ATOM 0 HA GLN A 119 11.692 1.673 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.465 3.483 3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.941 3.117 2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.944 4.130 0.376 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.520 4.555 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.741 6.760 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 119 12.006 7.708 1.760 1.00 0.00 H new ATOM 632 N GLY A 120 10.629 0.642 3.748 1.00 0.00 N ATOM 633 CA GLY A 120 10.699 -0.460 4.687 1.00 0.00 C ATOM 634 C GLY A 120 11.827 -0.332 5.689 1.00 0.00 C ATOM 635 O GLY A 120 12.341 -1.338 6.173 1.00 0.00 O ATOM 0 H GLY A 120 9.815 1.245 3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.753 -0.529 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 120 10.820 -1.391 4.133 1.00 0.00 H new ATOM 639 N GLU A 121 12.206 0.895 6.011 1.00 0.00 N ATOM 640 CA GLU A 121 13.261 1.128 6.987 1.00 0.00 C ATOM 641 C GLU A 121 12.740 0.829 8.384 1.00 0.00 C ATOM 642 O GLU A 121 13.362 0.092 9.150 1.00 0.00 O ATOM 643 CB GLU A 121 13.762 2.572 6.915 1.00 0.00 C ATOM 644 CG GLU A 121 14.253 2.984 5.539 1.00 0.00 C ATOM 645 CD GLU A 121 14.813 4.390 5.531 1.00 0.00 C ATOM 646 OE1 GLU A 121 14.023 5.349 5.643 1.00 0.00 O ATOM 647 OE2 GLU A 121 16.046 4.541 5.423 1.00 0.00 O ATOM 0 H GLU A 121 11.801 1.742 5.613 1.00 0.00 H new ATOM 0 HA GLU A 121 14.096 0.465 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.957 3.241 7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 121 14.572 2.702 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 121 15.021 2.287 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 121 13.431 2.918 4.826 1.00 0.00 H new ATOM 654 N ASP A 122 11.583 1.394 8.696 1.00 0.00 N ATOM 655 CA ASP A 122 10.930 1.167 9.979 1.00 0.00 C ATOM 656 C ASP A 122 9.443 0.945 9.771 1.00 0.00 C ATOM 657 O ASP A 122 8.606 1.465 10.510 1.00 0.00 O ATOM 658 CB ASP A 122 11.156 2.344 10.932 1.00 0.00 C ATOM 659 CG ASP A 122 12.538 2.350 11.556 1.00 0.00 C ATOM 660 OD1 ASP A 122 12.719 1.690 12.599 1.00 0.00 O ATOM 661 OD2 ASP A 122 13.440 3.030 11.021 1.00 0.00 O ATOM 0 H ASP A 122 11.072 2.019 8.072 1.00 0.00 H new ATOM 0 HA ASP A 122 11.369 0.277 10.431 1.00 0.00 H new ATOM 0 HB2 ASP A 122 11.006 3.277 10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.407 2.311 11.723 1.00 0.00 H new ATOM 666 N LYS A 123 9.141 0.163 8.746 1.00 0.00 N ATOM 667 CA LYS A 123 7.773 -0.206 8.391 1.00 0.00 C ATOM 668 C LYS A 123 6.967 -0.684 9.599 1.00 0.00 C ATOM 669 O LYS A 123 5.763 -0.449 9.669 1.00 0.00 O ATOM 670 CB LYS A 123 7.778 -1.307 7.316 1.00 0.00 C ATOM 671 CG LYS A 123 8.406 -2.629 7.760 1.00 0.00 C ATOM 672 CD LYS A 123 9.924 -2.546 7.852 1.00 0.00 C ATOM 673 CE LYS A 123 10.529 -3.795 8.468 1.00 0.00 C ATOM 674 NZ LYS A 123 10.252 -5.015 7.664 1.00 0.00 N ATOM 0 H LYS A 123 9.845 -0.240 8.128 1.00 0.00 H new ATOM 0 HA LYS A 123 7.295 0.693 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.751 -1.495 7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 123 8.316 -0.940 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.000 -2.913 8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.129 -3.414 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 123 10.339 -2.396 6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 123 10.204 -1.677 8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 123 11.607 -3.664 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 123 10.133 -3.929 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.741 -5.829 8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.228 -5.196 7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.593 -4.875 6.691 1.00 0.00 H new ATOM 688 N ALA A 124 7.636 -1.337 10.549 1.00 0.00 N ATOM 689 CA ALA A 124 6.962 -1.909 11.709 1.00 0.00 C ATOM 690 C ALA A 124 6.164 -0.857 12.472 1.00 0.00 C ATOM 691 O ALA A 124 4.955 -1.006 12.672 1.00 0.00 O ATOM 692 CB ALA A 124 7.967 -2.580 12.631 1.00 0.00 C ATOM 0 H ALA A 124 8.646 -1.482 10.536 1.00 0.00 H new ATOM 0 HA ALA A 124 6.260 -2.659 11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.447 -3.001 13.491 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.480 -3.376 12.092 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.695 -1.844 12.972 1.00 0.00 H new ATOM 698 N LYS A 125 6.830 0.214 12.881 1.00 0.00 N ATOM 699 CA LYS A 125 6.173 1.266 13.645 1.00 0.00 C ATOM 700 C LYS A 125 5.292 2.112 12.734 1.00 0.00 C ATOM 701 O LYS A 125 4.265 2.640 13.163 1.00 0.00 O ATOM 702 CB LYS A 125 7.203 2.149 14.364 1.00 0.00 C ATOM 703 CG LYS A 125 8.084 2.965 13.430 1.00 0.00 C ATOM 704 CD LYS A 125 9.055 3.843 14.203 1.00 0.00 C ATOM 705 CE LYS A 125 9.856 4.741 13.273 1.00 0.00 C ATOM 706 NZ LYS A 125 10.822 5.591 14.014 1.00 0.00 N ATOM 0 H LYS A 125 7.820 0.377 12.698 1.00 0.00 H new ATOM 0 HA LYS A 125 5.545 0.794 14.401 1.00 0.00 H new ATOM 0 HB2 LYS A 125 6.677 2.828 15.035 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.838 1.516 14.984 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.641 2.294 12.775 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.459 3.588 12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 125 8.504 4.456 14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 125 9.735 3.216 14.779 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.394 4.127 12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 125 9.175 5.376 12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.347 6.187 13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 10.308 6.196 14.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.489 4.986 14.534 1.00 0.00 H new ATOM 720 N LEU A 126 5.685 2.221 11.469 1.00 0.00 N ATOM 721 CA LEU A 126 4.939 3.020 10.511 1.00 0.00 C ATOM 722 C LEU A 126 3.560 2.419 10.259 1.00 0.00 C ATOM 723 O LEU A 126 2.575 3.139 10.198 1.00 0.00 O ATOM 724 CB LEU A 126 5.708 3.158 9.194 1.00 0.00 C ATOM 725 CG LEU A 126 7.062 3.865 9.296 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.752 3.889 7.941 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.912 5.278 9.839 1.00 0.00 C ATOM 0 H LEU A 126 6.514 1.766 11.087 1.00 0.00 H new ATOM 0 HA LEU A 126 4.809 4.015 10.938 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.867 2.162 8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.085 3.703 8.484 1.00 0.00 H new ATOM 0 HG LEU A 126 7.679 3.302 9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.713 4.395 8.031 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.911 2.868 7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.127 4.422 7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.892 5.751 9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.270 5.857 9.175 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.466 5.240 10.833 1.00 0.00 H new ATOM 739 N MET A 127 3.481 1.096 10.153 1.00 0.00 N ATOM 740 CA MET A 127 2.201 0.430 9.920 1.00 0.00 C ATOM 741 C MET A 127 1.189 0.821 10.991 1.00 0.00 C ATOM 742 O MET A 127 0.001 0.959 10.719 1.00 0.00 O ATOM 743 CB MET A 127 2.374 -1.089 9.901 1.00 0.00 C ATOM 744 CG MET A 127 3.031 -1.623 8.638 1.00 0.00 C ATOM 745 SD MET A 127 1.871 -2.474 7.543 1.00 0.00 S ATOM 746 CE MET A 127 0.775 -1.140 7.065 1.00 0.00 C ATOM 0 H MET A 127 4.281 0.467 10.224 1.00 0.00 H new ATOM 0 HA MET A 127 1.829 0.752 8.947 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.972 -1.387 10.762 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.396 -1.557 10.015 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.492 -0.796 8.098 1.00 0.00 H new ATOM 0 HG3 MET A 127 3.832 -2.309 8.914 1.00 0.00 H new ATOM 0 HE1 MET A 127 0.276 -1.396 6.130 1.00 0.00 H new ATOM 0 HE2 MET A 127 0.029 -0.985 7.844 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.353 -0.226 6.929 1.00 0.00 H new ATOM 756 N ARG A 128 1.680 1.021 12.203 1.00 0.00 N ATOM 757 CA ARG A 128 0.841 1.447 13.311 1.00 0.00 C ATOM 758 C ARG A 128 0.559 2.943 13.239 1.00 0.00 C ATOM 759 O ARG A 128 -0.593 3.373 13.314 1.00 0.00 O ATOM 760 CB ARG A 128 1.523 1.109 14.635 1.00 0.00 C ATOM 761 CG ARG A 128 1.547 -0.377 14.940 1.00 0.00 C ATOM 762 CD ARG A 128 0.151 -0.890 15.255 1.00 0.00 C ATOM 763 NE ARG A 128 -0.465 -0.125 16.338 1.00 0.00 N ATOM 764 CZ ARG A 128 -1.768 0.137 16.428 1.00 0.00 C ATOM 765 NH1 ARG A 128 -2.613 -0.338 15.522 1.00 0.00 N ATOM 766 NH2 ARG A 128 -2.225 0.873 17.431 1.00 0.00 N ATOM 0 H ARG A 128 2.663 0.894 12.445 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.110 0.917 13.246 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.546 1.484 14.614 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.009 1.630 15.443 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.954 -0.920 14.088 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.208 -0.568 15.785 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.472 -0.827 14.363 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.202 -1.942 15.534 1.00 0.00 H new ATOM 0 HE ARG A 128 0.144 0.232 17.074 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.266 -0.908 14.750 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.609 -0.133 15.597 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -1.579 1.237 18.132 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.222 1.075 17.502 1.00 0.00 H new ATOM 780 N ALA A 129 1.616 3.725 13.067 1.00 0.00 N ATOM 781 CA ALA A 129 1.519 5.181 13.072 1.00 0.00 C ATOM 782 C ALA A 129 0.756 5.717 11.860 1.00 0.00 C ATOM 783 O ALA A 129 0.339 6.873 11.846 1.00 0.00 O ATOM 784 CB ALA A 129 2.909 5.794 13.131 1.00 0.00 C ATOM 0 H ALA A 129 2.562 3.372 12.921 1.00 0.00 H new ATOM 0 HA ALA A 129 0.954 5.467 13.959 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.827 6.881 13.134 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.413 5.465 14.040 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.484 5.476 12.261 1.00 0.00 H new ATOM 790 N TYR A 130 0.592 4.891 10.837 1.00 0.00 N ATOM 791 CA TYR A 130 -0.122 5.307 9.634 1.00 0.00 C ATOM 792 C TYR A 130 -1.613 5.033 9.761 1.00 0.00 C ATOM 793 O TYR A 130 -2.434 5.746 9.189 1.00 0.00 O ATOM 794 CB TYR A 130 0.437 4.596 8.400 1.00 0.00 C ATOM 795 CG TYR A 130 1.810 5.076 7.977 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.683 5.666 8.883 1.00 0.00 C ATOM 797 CD2 TYR A 130 2.238 4.926 6.669 1.00 0.00 C ATOM 798 CE1 TYR A 130 3.933 6.094 8.498 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.488 5.353 6.277 1.00 0.00 C ATOM 800 CZ TYR A 130 4.330 5.937 7.195 1.00 0.00 C ATOM 801 OH TYR A 130 5.575 6.364 6.808 1.00 0.00 O ATOM 0 H TYR A 130 0.941 3.933 10.813 1.00 0.00 H new ATOM 0 HA TYR A 130 0.023 6.381 9.517 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.484 3.526 8.601 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.256 4.734 7.570 1.00 0.00 H new ATOM 0 HD1 TYR A 130 2.374 5.791 9.910 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.582 4.467 5.944 1.00 0.00 H new ATOM 0 HE1 TYR A 130 4.597 6.550 9.217 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.806 5.230 5.252 1.00 0.00 H new ATOM 0 HH TYR A 130 5.844 7.129 7.358 1.00 0.00 H new ATOM 811 N MET A 131 -1.960 4.014 10.541 1.00 0.00 N ATOM 812 CA MET A 131 -3.359 3.626 10.721 1.00 0.00 C ATOM 813 C MET A 131 -4.119 4.653 11.557 1.00 0.00 C ATOM 814 O MET A 131 -5.330 4.537 11.749 1.00 0.00 O ATOM 815 CB MET A 131 -3.456 2.250 11.391 1.00 0.00 C ATOM 816 CG MET A 131 -3.021 1.077 10.519 1.00 0.00 C ATOM 817 SD MET A 131 -4.370 0.351 9.556 1.00 0.00 S ATOM 818 CE MET A 131 -4.621 1.584 8.284 1.00 0.00 C ATOM 0 H MET A 131 -1.294 3.441 11.059 1.00 0.00 H new ATOM 0 HA MET A 131 -3.813 3.579 9.731 1.00 0.00 H new ATOM 0 HB2 MET A 131 -2.845 2.258 12.294 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.487 2.087 11.705 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.239 1.412 9.838 1.00 0.00 H new ATOM 0 HG3 MET A 131 -2.583 0.306 11.153 1.00 0.00 H new ATOM 0 HE1 MET A 131 -5.032 1.109 7.393 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.316 2.342 8.644 1.00 0.00 H new ATOM 0 HE3 MET A 131 -3.668 2.053 8.039 1.00 0.00 H new ATOM 828 N GLN A 132 -3.407 5.650 12.065 1.00 0.00 N ATOM 829 CA GLN A 132 -4.025 6.681 12.887 1.00 0.00 C ATOM 830 C GLN A 132 -4.320 7.938 12.070 1.00 0.00 C ATOM 831 O GLN A 132 -5.135 8.767 12.473 1.00 0.00 O ATOM 832 CB GLN A 132 -3.131 7.031 14.078 1.00 0.00 C ATOM 833 CG GLN A 132 -1.877 7.794 13.695 1.00 0.00 C ATOM 834 CD GLN A 132 -0.947 8.029 14.865 1.00 0.00 C ATOM 835 OE1 GLN A 132 -1.378 8.143 16.011 1.00 0.00 O ATOM 836 NE2 GLN A 132 0.337 8.106 14.578 1.00 0.00 N ATOM 0 H GLN A 132 -2.404 5.766 11.923 1.00 0.00 H new ATOM 0 HA GLN A 132 -4.970 6.283 13.258 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.704 7.625 14.789 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.845 6.112 14.589 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.345 7.242 12.920 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.160 8.755 13.264 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.651 8.006 13.613 1.00 0.00 H new ATOM 0 HE22 GLN A 132 1.017 8.266 15.321 1.00 0.00 H new ATOM 845 N GLU A 133 -3.671 8.078 10.917 1.00 0.00 N ATOM 846 CA GLU A 133 -3.835 9.272 10.107 1.00 0.00 C ATOM 847 C GLU A 133 -4.999 9.083 9.156 1.00 0.00 C ATOM 848 O GLU A 133 -5.011 8.143 8.359 1.00 0.00 O ATOM 849 CB GLU A 133 -2.564 9.576 9.313 1.00 0.00 C ATOM 850 CG GLU A 133 -1.291 9.320 10.092 1.00 0.00 C ATOM 851 CD GLU A 133 -0.151 10.206 9.664 1.00 0.00 C ATOM 852 OE1 GLU A 133 0.254 11.078 10.460 1.00 0.00 O ATOM 853 OE2 GLU A 133 0.336 10.048 8.540 1.00 0.00 O ATOM 0 H GLU A 133 -3.033 7.383 10.529 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.033 10.114 10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -2.556 8.968 8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.583 10.619 8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.484 9.473 11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.999 8.277 9.968 1.00 0.00 H new ATOM 860 N PRO A 134 -5.990 9.988 9.222 1.00 0.00 N ATOM 861 CA PRO A 134 -7.224 9.884 8.439 1.00 0.00 C ATOM 862 C PRO A 134 -6.961 9.777 6.945 1.00 0.00 C ATOM 863 O PRO A 134 -7.768 9.220 6.211 1.00 0.00 O ATOM 864 CB PRO A 134 -7.979 11.182 8.757 1.00 0.00 C ATOM 865 CG PRO A 134 -6.971 12.086 9.376 1.00 0.00 C ATOM 866 CD PRO A 134 -5.984 11.193 10.065 1.00 0.00 C ATOM 0 HA PRO A 134 -7.781 8.983 8.695 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.399 11.623 7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.810 10.996 9.437 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.481 12.700 8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -7.441 12.768 10.084 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -4.994 11.647 10.115 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.285 10.972 11.089 1.00 0.00 H new ATOM 874 N LEU A 135 -5.818 10.288 6.505 1.00 0.00 N ATOM 875 CA LEU A 135 -5.473 10.242 5.092 1.00 0.00 C ATOM 876 C LEU A 135 -5.161 8.814 4.674 1.00 0.00 C ATOM 877 O LEU A 135 -5.648 8.338 3.650 1.00 0.00 O ATOM 878 CB LEU A 135 -4.281 11.152 4.770 1.00 0.00 C ATOM 879 CG LEU A 135 -4.532 12.653 4.929 1.00 0.00 C ATOM 880 CD1 LEU A 135 -4.268 13.102 6.358 1.00 0.00 C ATOM 881 CD2 LEU A 135 -3.685 13.442 3.941 1.00 0.00 C ATOM 0 H LEU A 135 -5.121 10.735 7.101 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.334 10.605 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.448 10.871 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.968 10.961 3.743 1.00 0.00 H new ATOM 0 HG LEU A 135 -5.582 12.849 4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -4.454 14.173 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -4.930 12.564 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -3.231 12.892 6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.876 14.508 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -2.630 13.238 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -3.942 13.146 2.924 1.00 0.00 H new ATOM 893 N PHE A 136 -4.377 8.122 5.488 1.00 0.00 N ATOM 894 CA PHE A 136 -3.980 6.759 5.173 1.00 0.00 C ATOM 895 C PHE A 136 -5.158 5.824 5.384 1.00 0.00 C ATOM 896 O PHE A 136 -5.302 4.822 4.691 1.00 0.00 O ATOM 897 CB PHE A 136 -2.799 6.329 6.042 1.00 0.00 C ATOM 898 CG PHE A 136 -2.064 5.127 5.518 1.00 0.00 C ATOM 899 CD1 PHE A 136 -2.355 3.856 5.985 1.00 0.00 C ATOM 900 CD2 PHE A 136 -1.073 5.274 4.561 1.00 0.00 C ATOM 901 CE1 PHE A 136 -1.669 2.753 5.508 1.00 0.00 C ATOM 902 CE2 PHE A 136 -0.383 4.178 4.079 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.681 2.916 4.555 1.00 0.00 C ATOM 0 H PHE A 136 -4.005 8.481 6.367 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.669 6.714 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -2.101 7.162 6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.160 6.112 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -3.126 3.724 6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.836 6.259 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -1.905 1.767 5.880 1.00 0.00 H new ATOM 0 HE2 PHE A 136 0.387 4.308 3.333 1.00 0.00 H new ATOM 0 HZ PHE A 136 -0.142 2.057 4.183 1.00 0.00 H new ATOM 913 N VAL A 137 -6.003 6.174 6.345 1.00 0.00 N ATOM 914 CA VAL A 137 -7.220 5.420 6.610 1.00 0.00 C ATOM 915 C VAL A 137 -8.145 5.460 5.394 1.00 0.00 C ATOM 916 O VAL A 137 -8.724 4.444 5.005 1.00 0.00 O ATOM 917 CB VAL A 137 -7.951 5.972 7.852 1.00 0.00 C ATOM 918 CG1 VAL A 137 -9.236 5.203 8.120 1.00 0.00 C ATOM 919 CG2 VAL A 137 -7.038 5.924 9.067 1.00 0.00 C ATOM 0 H VAL A 137 -5.866 6.979 6.956 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.941 4.385 6.808 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.217 7.010 7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -9.729 5.614 9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.899 5.290 7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.002 4.152 8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.567 6.316 9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -6.741 4.893 9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -6.150 6.528 8.879 1.00 0.00 H new ATOM 929 N GLU A 138 -8.268 6.635 4.789 1.00 0.00 N ATOM 930 CA GLU A 138 -9.041 6.787 3.563 1.00 0.00 C ATOM 931 C GLU A 138 -8.372 6.039 2.420 1.00 0.00 C ATOM 932 O GLU A 138 -9.027 5.309 1.677 1.00 0.00 O ATOM 933 CB GLU A 138 -9.178 8.264 3.203 1.00 0.00 C ATOM 934 CG GLU A 138 -9.992 9.054 4.206 1.00 0.00 C ATOM 935 CD GLU A 138 -11.473 8.751 4.132 1.00 0.00 C ATOM 936 OE1 GLU A 138 -11.913 7.723 4.692 1.00 0.00 O ATOM 937 OE2 GLU A 138 -12.210 9.546 3.517 1.00 0.00 O ATOM 0 H GLU A 138 -7.842 7.497 5.128 1.00 0.00 H new ATOM 0 HA GLU A 138 -10.034 6.368 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -8.184 8.705 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -9.643 8.349 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -9.631 8.836 5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -9.835 10.119 4.035 1.00 0.00 H new ATOM 944 N PHE A 139 -7.060 6.216 2.305 1.00 0.00 N ATOM 945 CA PHE A 139 -6.277 5.575 1.254 1.00 0.00 C ATOM 946 C PHE A 139 -6.432 4.064 1.316 1.00 0.00 C ATOM 947 O PHE A 139 -6.712 3.412 0.309 1.00 0.00 O ATOM 948 CB PHE A 139 -4.802 5.967 1.394 1.00 0.00 C ATOM 949 CG PHE A 139 -3.864 5.191 0.512 1.00 0.00 C ATOM 950 CD1 PHE A 139 -3.768 5.469 -0.841 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.069 4.190 1.044 1.00 0.00 C ATOM 952 CE1 PHE A 139 -2.898 4.757 -1.648 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.200 3.475 0.243 1.00 0.00 C ATOM 954 CZ PHE A 139 -2.113 3.760 -1.105 1.00 0.00 C ATOM 0 H PHE A 139 -6.512 6.804 2.933 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.645 5.914 0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.698 7.028 1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.500 5.831 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -4.378 6.249 -1.271 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -3.129 3.965 2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -2.833 4.981 -2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -1.589 2.694 0.671 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.432 3.204 -1.733 1.00 0.00 H new ATOM 964 N ALA A 140 -6.270 3.523 2.513 1.00 0.00 N ATOM 965 CA ALA A 140 -6.358 2.093 2.724 1.00 0.00 C ATOM 966 C ALA A 140 -7.745 1.575 2.388 1.00 0.00 C ATOM 967 O ALA A 140 -7.883 0.633 1.616 1.00 0.00 O ATOM 968 CB ALA A 140 -5.987 1.747 4.157 1.00 0.00 C ATOM 0 H ALA A 140 -6.075 4.061 3.358 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.650 1.606 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.058 0.669 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.967 2.074 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.670 2.250 4.841 1.00 0.00 H new ATOM 974 N ASP A 141 -8.768 2.228 2.923 1.00 0.00 N ATOM 975 CA ASP A 141 -10.146 1.777 2.731 1.00 0.00 C ATOM 976 C ASP A 141 -10.497 1.770 1.253 1.00 0.00 C ATOM 977 O ASP A 141 -11.236 0.908 0.772 1.00 0.00 O ATOM 978 CB ASP A 141 -11.118 2.677 3.494 1.00 0.00 C ATOM 979 CG ASP A 141 -12.569 2.338 3.209 1.00 0.00 C ATOM 980 OD1 ASP A 141 -13.088 1.364 3.795 1.00 0.00 O ATOM 981 OD2 ASP A 141 -13.201 3.047 2.397 1.00 0.00 O ATOM 0 H ASP A 141 -8.674 3.069 3.492 1.00 0.00 H new ATOM 0 HA ASP A 141 -10.232 0.763 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.930 2.585 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.932 3.717 3.226 1.00 0.00 H new ATOM 986 N CYS A 142 -9.928 2.720 0.534 1.00 0.00 N ATOM 987 CA CYS A 142 -10.158 2.844 -0.888 1.00 0.00 C ATOM 988 C CYS A 142 -9.506 1.692 -1.642 1.00 0.00 C ATOM 989 O CYS A 142 -10.160 1.016 -2.433 1.00 0.00 O ATOM 990 CB CYS A 142 -9.621 4.181 -1.385 1.00 0.00 C ATOM 991 SG CYS A 142 -10.566 5.608 -0.806 1.00 0.00 S ATOM 0 H CYS A 142 -9.297 3.423 0.920 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.231 2.804 -1.074 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.585 4.288 -1.063 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -9.617 4.178 -2.475 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.250 5.866 0.428 1.00 0.00 H new ATOM 997 N CYS A 143 -8.230 1.438 -1.367 1.00 0.00 N ATOM 998 CA CYS A 143 -7.503 0.412 -2.094 1.00 0.00 C ATOM 999 C CYS A 143 -8.019 -0.974 -1.727 1.00 0.00 C ATOM 1000 O CYS A 143 -7.998 -1.885 -2.550 1.00 0.00 O ATOM 1001 CB CYS A 143 -5.993 0.523 -1.839 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.507 0.397 -0.105 1.00 0.00 S ATOM 0 H CYS A 143 -7.686 1.924 -0.654 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.672 0.566 -3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.485 -0.260 -2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.642 1.477 -2.232 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.570 0.333 0.640 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.523 -1.114 -0.503 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.063 -2.387 -0.036 1.00 0.00 C ATOM 1010 C LEU A 144 -10.235 -2.831 -0.895 1.00 0.00 C ATOM 1011 O LEU A 144 -10.362 -4.007 -1.216 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.501 -2.293 1.428 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.375 -2.018 2.423 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -8.901 -2.003 3.848 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.270 -3.041 2.266 1.00 0.00 C ATOM 0 H LEU A 144 -8.568 -0.361 0.183 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.268 -3.128 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.246 -1.503 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.991 -3.226 1.706 1.00 0.00 H new ATOM 0 HG LEU A 144 -7.963 -1.032 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.080 -1.805 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.655 -1.223 3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.346 -2.970 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.475 -2.831 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.669 -4.039 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.869 -2.991 1.254 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.086 -1.888 -1.274 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.231 -2.221 -2.099 1.00 0.00 C ATOM 1029 C GLY A 145 -11.834 -2.503 -3.532 1.00 0.00 C ATOM 1030 O GLY A 145 -12.470 -3.300 -4.220 1.00 0.00 O ATOM 0 H GLY A 145 -11.005 -0.902 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.735 -3.094 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -12.946 -1.399 -2.076 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.763 -1.858 -3.968 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.287 -1.991 -5.335 1.00 0.00 C ATOM 1036 C ILE A 146 -9.536 -3.307 -5.534 1.00 0.00 C ATOM 1037 O ILE A 146 -9.652 -3.943 -6.584 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.369 -0.810 -5.715 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -10.086 0.519 -5.468 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -8.943 -0.916 -7.172 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -9.193 1.733 -5.616 1.00 0.00 C ATOM 0 H ILE A 146 -10.203 -1.232 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.162 -1.986 -5.985 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.477 -0.848 -5.089 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -10.920 0.606 -6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.509 0.511 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.296 -0.076 -7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.402 -1.850 -7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -9.826 -0.899 -7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -9.773 2.636 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.373 1.671 -4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.790 1.767 -6.628 1.00 0.00 H new ATOM 1053 N VAL A 147 -8.781 -3.723 -4.519 1.00 0.00 N ATOM 1054 CA VAL A 147 -7.991 -4.945 -4.615 1.00 0.00 C ATOM 1055 C VAL A 147 -8.803 -6.164 -4.207 1.00 0.00 C ATOM 1056 O VAL A 147 -8.276 -7.276 -4.152 1.00 0.00 O ATOM 1057 CB VAL A 147 -6.702 -4.888 -3.768 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -5.840 -3.705 -4.174 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -7.029 -4.845 -2.283 1.00 0.00 C ATOM 0 H VAL A 147 -8.701 -3.235 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 147 -7.705 -5.032 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.132 -5.798 -3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -4.937 -3.686 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -5.565 -3.799 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.398 -2.780 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -6.104 -4.805 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.628 -3.960 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.589 -5.739 -2.008 1.00 0.00 H new ATOM 1069 N GLU A 148 -10.073 -5.954 -3.897 1.00 0.00 N ATOM 1070 CA GLU A 148 -10.994 -7.062 -3.730 1.00 0.00 C ATOM 1071 C GLU A 148 -11.499 -7.490 -5.100 1.00 0.00 C ATOM 1072 O GLU A 148 -12.261 -6.770 -5.744 1.00 0.00 O ATOM 1073 CB GLU A 148 -12.172 -6.685 -2.828 1.00 0.00 C ATOM 1074 CG GLU A 148 -11.812 -6.579 -1.354 1.00 0.00 C ATOM 1075 CD GLU A 148 -11.313 -7.886 -0.774 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -12.148 -8.699 -0.326 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -10.083 -8.103 -0.750 1.00 0.00 O ATOM 0 H GLU A 148 -10.485 -5.032 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 148 -10.467 -7.886 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -12.581 -5.731 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -12.960 -7.429 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -11.046 -5.815 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -12.687 -6.249 -0.794 1.00 0.00 H new ATOM 1197 N ILE B 463 -8.470 -7.616 8.936 1.00 0.00 N ATOM 1198 CA ILE B 463 -7.546 -6.506 9.116 1.00 0.00 C ATOM 1199 C ILE B 463 -6.096 -6.971 9.050 1.00 0.00 C ATOM 1200 O ILE B 463 -5.218 -6.216 8.634 1.00 0.00 O ATOM 1201 CB ILE B 463 -7.811 -5.764 10.446 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -9.258 -5.261 10.484 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -6.839 -4.603 10.619 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -9.634 -4.566 11.776 1.00 0.00 C ATOM 0 HA ILE B 463 -7.718 -5.810 8.295 1.00 0.00 H new ATOM 0 HB ILE B 463 -7.657 -6.460 11.270 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -9.414 -4.572 9.654 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -9.930 -6.105 10.329 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -7.043 -4.095 11.561 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -5.817 -4.982 10.625 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -6.961 -3.901 9.794 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -10.673 -4.240 11.725 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -9.512 -5.257 12.610 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -8.989 -3.700 11.925 1.00 0.00 H new ATOM 1216 N ARG B 464 -5.847 -8.217 9.435 1.00 0.00 N ATOM 1217 CA ARG B 464 -4.516 -8.799 9.299 1.00 0.00 C ATOM 1218 C ARG B 464 -4.061 -8.690 7.851 1.00 0.00 C ATOM 1219 O ARG B 464 -2.969 -8.206 7.559 1.00 0.00 O ATOM 1220 CB ARG B 464 -4.521 -10.267 9.731 1.00 0.00 C ATOM 1221 CG ARG B 464 -4.757 -10.468 11.215 1.00 0.00 C ATOM 1222 CD ARG B 464 -3.569 -9.999 12.033 1.00 0.00 C ATOM 1223 NE ARG B 464 -2.360 -10.752 11.711 1.00 0.00 N ATOM 1224 CZ ARG B 464 -1.232 -10.676 12.411 1.00 0.00 C ATOM 1225 NH1 ARG B 464 -1.156 -9.876 13.468 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -0.177 -11.394 12.046 1.00 0.00 N ATOM 0 H ARG B 464 -6.544 -8.841 9.841 1.00 0.00 H new ATOM 0 HA ARG B 464 -3.827 -8.253 9.943 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -5.294 -10.797 9.175 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -3.567 -10.719 9.460 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -5.649 -9.922 11.520 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -4.945 -11.523 11.415 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -3.397 -8.938 11.849 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -3.793 -10.107 13.094 1.00 0.00 H new ATOM 0 HE ARG B 464 -2.382 -11.373 10.902 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -1.964 -9.318 13.745 1.00 0.00 H new ATOM 0 HH12 ARG B 464 -0.290 -9.819 14.003 1.00 0.00 H new ATOM 0 HH21 ARG B 464 -0.232 -12.003 11.230 1.00 0.00 H new ATOM 0 HH22 ARG B 464 0.689 -11.337 12.582 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.938 -9.120 6.958 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.702 -9.057 5.525 1.00 0.00 C ATOM 1242 C HIS B 465 -4.740 -7.613 5.022 1.00 0.00 C ATOM 1243 O HIS B 465 -3.883 -7.190 4.248 1.00 0.00 O ATOM 1244 CB HIS B 465 -5.760 -9.903 4.804 1.00 0.00 C ATOM 1245 CG HIS B 465 -5.752 -9.775 3.313 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -5.154 -10.691 2.483 1.00 0.00 N ATOM 1247 CD2 HIS B 465 -6.288 -8.829 2.506 1.00 0.00 C ATOM 1248 CE1 HIS B 465 -5.315 -10.315 1.228 1.00 0.00 C ATOM 1249 NE2 HIS B 465 -6.003 -9.187 1.211 1.00 0.00 N ATOM 0 H HIS B 465 -5.840 -9.525 7.209 1.00 0.00 H new ATOM 0 HA HIS B 465 -3.709 -9.453 5.313 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -5.609 -10.950 5.066 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -6.746 -9.621 5.174 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -6.838 -7.955 2.822 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -4.946 -10.841 0.360 1.00 0.00 H new ATOM 0 HE2 HIS B 465 -6.277 -8.669 0.376 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.741 -6.867 5.466 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.967 -5.506 4.986 1.00 0.00 C ATOM 1260 C GLU B 466 -4.818 -4.564 5.353 1.00 0.00 C ATOM 1261 O GLU B 466 -4.620 -3.547 4.701 1.00 0.00 O ATOM 1262 CB GLU B 466 -7.303 -4.978 5.517 1.00 0.00 C ATOM 1263 CG GLU B 466 -8.500 -5.743 4.963 1.00 0.00 C ATOM 1264 CD GLU B 466 -9.818 -5.371 5.619 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -10.218 -6.050 6.586 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -10.479 -4.423 5.150 1.00 0.00 O ATOM 0 H GLU B 466 -6.416 -7.182 6.163 1.00 0.00 H new ATOM 0 HA GLU B 466 -6.006 -5.540 3.897 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -7.308 -5.042 6.605 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -7.400 -3.923 5.260 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -8.573 -5.559 3.891 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -8.329 -6.812 5.092 1.00 0.00 H new ATOM 1273 N ARG B 467 -4.060 -4.908 6.382 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.933 -4.103 6.804 1.00 0.00 C ATOM 1275 C ARG B 467 -1.701 -4.353 5.931 1.00 0.00 C ATOM 1276 O ARG B 467 -1.018 -3.410 5.544 1.00 0.00 O ATOM 1277 CB ARG B 467 -2.634 -4.392 8.275 1.00 0.00 C ATOM 1278 CG ARG B 467 -1.265 -3.935 8.721 1.00 0.00 C ATOM 1279 CD ARG B 467 -1.145 -3.937 10.235 1.00 0.00 C ATOM 1280 NE ARG B 467 0.250 -3.968 10.677 1.00 0.00 N ATOM 1281 CZ ARG B 467 0.629 -3.953 11.955 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -0.276 -3.851 12.923 1.00 0.00 N ATOM 1283 NH2 ARG B 467 1.916 -4.036 12.266 1.00 0.00 N ATOM 0 H ARG B 467 -4.210 -5.747 6.942 1.00 0.00 H new ATOM 0 HA ARG B 467 -3.190 -3.050 6.688 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -3.388 -3.904 8.892 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -2.724 -5.464 8.450 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -0.505 -4.589 8.294 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -1.073 -2.932 8.341 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -1.633 -3.049 10.638 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -1.672 -4.801 10.639 1.00 0.00 H new ATOM 0 HE ARG B 467 0.977 -4.003 9.963 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -1.267 -3.784 12.690 1.00 0.00 H new ATOM 0 HH12 ARG B 467 0.020 -3.840 13.899 1.00 0.00 H new ATOM 0 HH21 ARG B 467 2.615 -4.111 11.527 1.00 0.00 H new ATOM 0 HH22 ARG B 467 2.206 -4.025 13.244 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.441 -5.611 5.586 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.225 -5.963 4.855 1.00 0.00 C ATOM 1299 C ASN B 468 -0.423 -5.764 3.359 1.00 0.00 C ATOM 1300 O ASN B 468 0.531 -5.703 2.587 1.00 0.00 O ATOM 1301 CB ASN B 468 0.187 -7.413 5.138 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.791 -8.425 4.573 1.00 0.00 C ATOM 1303 OD1 ASN B 468 -1.698 -8.880 5.259 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -0.610 -8.788 3.317 1.00 0.00 N ATOM 0 H ASN B 468 -2.051 -6.400 5.799 1.00 0.00 H new ATOM 0 HA ASN B 468 0.572 -5.303 5.198 1.00 0.00 H new ATOM 0 HB2 ASN B 468 1.175 -7.594 4.714 1.00 0.00 H new ATOM 0 HB3 ASN B 468 0.271 -7.558 6.215 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -1.237 -9.469 2.887 1.00 0.00 H new ATOM 0 HD22 ASN B 468 0.156 -8.388 2.776 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.674 -5.679 2.958 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.035 -5.583 1.555 1.00 0.00 C ATOM 1313 C VAL B 469 -1.824 -4.163 1.021 1.00 0.00 C ATOM 1314 O VAL B 469 -1.712 -3.955 -0.191 1.00 0.00 O ATOM 1315 CB VAL B 469 -3.493 -6.036 1.324 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.484 -4.944 1.689 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -3.689 -6.499 -0.106 1.00 0.00 C ATOM 0 H VAL B 469 -2.471 -5.674 3.594 1.00 0.00 H new ATOM 0 HA VAL B 469 -1.376 -6.253 1.002 1.00 0.00 H new ATOM 0 HB VAL B 469 -3.687 -6.880 1.985 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.499 -5.300 1.513 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -4.368 -4.684 2.741 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -4.297 -4.063 1.075 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -4.723 -6.814 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -3.462 -5.680 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -3.023 -7.337 -0.312 1.00 0.00 H new ATOM 1327 N ILE B 470 -1.752 -3.189 1.928 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.639 -1.783 1.532 1.00 0.00 C ATOM 1329 C ILE B 470 -0.271 -1.559 0.914 1.00 0.00 C ATOM 1330 O ILE B 470 -0.077 -0.734 0.025 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.795 -0.833 2.739 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -3.065 -1.157 3.528 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.816 0.615 2.274 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.332 -1.069 2.709 1.00 0.00 C ATOM 0 H ILE B 470 -1.770 -3.345 2.936 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.436 -1.566 0.821 1.00 0.00 H new ATOM 0 HB ILE B 470 -0.939 -0.977 3.398 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -2.979 -2.163 3.940 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -3.141 -0.472 4.373 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.927 1.272 3.136 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.883 0.845 1.759 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.653 0.766 1.593 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -5.189 -1.312 3.337 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.444 -0.057 2.319 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.279 -1.774 1.879 1.00 0.00 H new ATOM 1346 N LEU B 471 0.652 -2.340 1.420 1.00 0.00 N ATOM 1347 CA LEU B 471 2.036 -2.354 1.014 1.00 0.00 C ATOM 1348 C LEU B 471 2.143 -2.576 -0.487 1.00 0.00 C ATOM 1349 O LEU B 471 2.802 -1.814 -1.197 1.00 0.00 O ATOM 1350 CB LEU B 471 2.729 -3.495 1.762 1.00 0.00 C ATOM 1351 CG LEU B 471 2.805 -3.389 3.299 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.869 -2.397 3.708 1.00 0.00 C ATOM 1353 CD2 LEU B 471 1.495 -2.987 3.955 1.00 0.00 C ATOM 0 H LEU B 471 0.450 -3.013 2.159 1.00 0.00 H new ATOM 0 HA LEU B 471 2.508 -1.400 1.248 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.215 -4.423 1.513 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.746 -3.581 1.379 1.00 0.00 H new ATOM 0 HG LEU B 471 3.049 -4.393 3.645 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.909 -2.334 4.795 1.00 0.00 H new ATOM 0 HD12 LEU B 471 4.837 -2.724 3.327 1.00 0.00 H new ATOM 0 HD13 LEU B 471 3.630 -1.416 3.297 1.00 0.00 H new ATOM 0 HD21 LEU B 471 1.630 -2.934 5.035 1.00 0.00 H new ATOM 0 HD22 LEU B 471 1.185 -2.012 3.580 1.00 0.00 H new ATOM 0 HD23 LEU B 471 0.729 -3.726 3.721 1.00 0.00 H new ATOM 1365 N GLN B 472 1.487 -3.634 -0.946 1.00 0.00 N ATOM 1366 CA GLN B 472 1.388 -3.940 -2.376 1.00 0.00 C ATOM 1367 C GLN B 472 0.863 -2.739 -3.155 1.00 0.00 C ATOM 1368 O GLN B 472 1.392 -2.393 -4.211 1.00 0.00 O ATOM 1369 CB GLN B 472 0.467 -5.141 -2.619 1.00 0.00 C ATOM 1370 CG GLN B 472 1.109 -6.494 -2.348 1.00 0.00 C ATOM 1371 CD GLN B 472 1.466 -6.704 -0.893 1.00 0.00 C ATOM 1372 OE1 GLN B 472 2.573 -6.397 -0.459 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.522 -7.216 -0.127 1.00 0.00 N ATOM 0 H GLN B 472 1.009 -4.305 -0.344 1.00 0.00 H new ATOM 0 HA GLN B 472 2.391 -4.183 -2.726 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.416 -5.039 -1.988 1.00 0.00 H new ATOM 0 HB3 GLN B 472 0.124 -5.116 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN B 472 0.427 -7.283 -2.665 1.00 0.00 H new ATOM 0 HG3 GLN B 472 2.010 -6.589 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.385 -7.457 -0.527 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.699 -7.370 0.866 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.170 -2.107 -2.616 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.788 -0.955 -3.253 1.00 0.00 C ATOM 1384 C CYS B 473 0.221 0.183 -3.391 1.00 0.00 C ATOM 1385 O CYS B 473 0.467 0.679 -4.490 1.00 0.00 O ATOM 1386 CB CYS B 473 -1.999 -0.504 -2.435 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.186 -1.829 -2.102 1.00 0.00 S ATOM 0 H CYS B 473 -0.600 -2.377 -1.731 1.00 0.00 H new ATOM 0 HA CYS B 473 -1.121 -1.236 -4.252 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.653 -0.092 -1.487 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.506 0.301 -2.967 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.644 -2.710 -1.315 1.00 0.00 H new ATOM 1393 N VAL B 474 0.809 0.574 -2.263 1.00 0.00 N ATOM 1394 CA VAL B 474 1.846 1.591 -2.229 1.00 0.00 C ATOM 1395 C VAL B 474 2.972 1.292 -3.222 1.00 0.00 C ATOM 1396 O VAL B 474 3.326 2.142 -4.043 1.00 0.00 O ATOM 1397 CB VAL B 474 2.442 1.697 -0.809 1.00 0.00 C ATOM 1398 CG1 VAL B 474 3.595 2.679 -0.780 1.00 0.00 C ATOM 1399 CG2 VAL B 474 1.374 2.099 0.196 1.00 0.00 C ATOM 0 H VAL B 474 0.576 0.191 -1.347 1.00 0.00 H new ATOM 0 HA VAL B 474 1.380 2.535 -2.512 1.00 0.00 H new ATOM 0 HB VAL B 474 2.823 0.715 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL B 474 3.998 2.737 0.231 1.00 0.00 H new ATOM 0 HG12 VAL B 474 4.375 2.344 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL B 474 3.242 3.664 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL B 474 1.817 2.167 1.190 1.00 0.00 H new ATOM 0 HG22 VAL B 474 0.958 3.067 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL B 474 0.581 1.351 0.203 1.00 0.00 H new ATOM 1409 N ARG B 475 3.508 0.076 -3.158 1.00 0.00 N ATOM 1410 CA ARG B 475 4.676 -0.293 -3.948 1.00 0.00 C ATOM 1411 C ARG B 475 4.376 -0.264 -5.439 1.00 0.00 C ATOM 1412 O ARG B 475 5.197 0.200 -6.232 1.00 0.00 O ATOM 1413 CB ARG B 475 5.188 -1.674 -3.538 1.00 0.00 C ATOM 1414 CG ARG B 475 6.343 -2.173 -4.392 1.00 0.00 C ATOM 1415 CD ARG B 475 7.150 -3.230 -3.663 1.00 0.00 C ATOM 1416 NE ARG B 475 7.785 -2.681 -2.467 1.00 0.00 N ATOM 1417 CZ ARG B 475 8.607 -3.358 -1.675 1.00 0.00 C ATOM 1418 NH1 ARG B 475 8.884 -4.634 -1.922 1.00 0.00 N ATOM 1419 NH2 ARG B 475 9.152 -2.755 -0.630 1.00 0.00 N ATOM 0 H ARG B 475 3.149 -0.672 -2.564 1.00 0.00 H new ATOM 0 HA ARG B 475 5.453 0.445 -3.749 1.00 0.00 H new ATOM 0 HB2 ARG B 475 5.506 -1.640 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG B 475 4.367 -2.389 -3.598 1.00 0.00 H new ATOM 0 HG2 ARG B 475 5.957 -2.586 -5.324 1.00 0.00 H new ATOM 0 HG3 ARG B 475 6.990 -1.337 -4.657 1.00 0.00 H new ATOM 0 HD2 ARG B 475 6.500 -4.059 -3.384 1.00 0.00 H new ATOM 0 HD3 ARG B 475 7.912 -3.633 -4.330 1.00 0.00 H new ATOM 0 HE ARG B 475 7.583 -1.711 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG B 475 8.464 -5.101 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG B 475 9.517 -5.147 -1.308 1.00 0.00 H new ATOM 0 HH21 ARG B 475 8.939 -1.776 -0.438 1.00 0.00 H new ATOM 0 HH22 ARG B 475 9.785 -3.269 -0.017 1.00 0.00 H new ATOM 1433 N TYR B 476 3.198 -0.745 -5.816 1.00 0.00 N ATOM 1434 CA TYR B 476 2.794 -0.747 -7.210 1.00 0.00 C ATOM 1435 C TYR B 476 2.752 0.678 -7.755 1.00 0.00 C ATOM 1436 O TYR B 476 3.220 0.944 -8.863 1.00 0.00 O ATOM 1437 CB TYR B 476 1.424 -1.424 -7.362 1.00 0.00 C ATOM 1438 CG TYR B 476 0.553 -0.792 -8.425 1.00 0.00 C ATOM 1439 CD1 TYR B 476 -0.373 0.183 -8.085 1.00 0.00 C ATOM 1440 CD2 TYR B 476 0.677 -1.141 -9.762 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -1.150 0.797 -9.043 1.00 0.00 C ATOM 1442 CE2 TYR B 476 -0.103 -0.537 -10.729 1.00 0.00 C ATOM 1443 CZ TYR B 476 -1.014 0.432 -10.364 1.00 0.00 C ATOM 1444 OH TYR B 476 -1.783 1.048 -11.326 1.00 0.00 O ATOM 0 H TYR B 476 2.509 -1.137 -5.175 1.00 0.00 H new ATOM 0 HA TYR B 476 3.527 -1.312 -7.786 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.573 -2.476 -7.604 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.901 -1.387 -6.406 1.00 0.00 H new ATOM 0 HD1 TYR B 476 -0.487 0.466 -7.049 1.00 0.00 H new ATOM 0 HD2 TYR B 476 1.394 -1.896 -10.051 1.00 0.00 H new ATOM 0 HE1 TYR B 476 -1.861 1.559 -8.760 1.00 0.00 H new ATOM 0 HE2 TYR B 476 0.000 -0.822 -11.766 1.00 0.00 H new ATOM 0 HH TYR B 476 -1.565 0.677 -12.206 1.00 0.00 H new ATOM 1454 N ILE B 477 2.197 1.588 -6.965 1.00 0.00 N ATOM 1455 CA ILE B 477 2.069 2.975 -7.376 1.00 0.00 C ATOM 1456 C ILE B 477 3.441 3.609 -7.523 1.00 0.00 C ATOM 1457 O ILE B 477 3.795 4.104 -8.591 1.00 0.00 O ATOM 1458 CB ILE B 477 1.229 3.785 -6.369 1.00 0.00 C ATOM 1459 CG1 ILE B 477 -0.168 3.173 -6.239 1.00 0.00 C ATOM 1460 CG2 ILE B 477 1.135 5.239 -6.809 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -0.964 3.712 -5.075 1.00 0.00 C ATOM 0 H ILE B 477 1.829 1.388 -6.035 1.00 0.00 H new ATOM 0 HA ILE B 477 1.557 2.989 -8.338 1.00 0.00 H new ATOM 0 HB ILE B 477 1.717 3.751 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.721 3.355 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE B 477 -0.073 2.092 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.539 5.799 -6.089 1.00 0.00 H new ATOM 0 HG22 ILE B 477 2.136 5.668 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.663 5.292 -7.790 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -1.942 3.231 -5.049 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.434 3.507 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -1.092 4.788 -5.189 1.00 0.00 H new ATOM 1473 N ILE B 478 4.231 3.544 -6.456 1.00 0.00 N ATOM 1474 CA ILE B 478 5.567 4.131 -6.447 1.00 0.00 C ATOM 1475 C ILE B 478 6.424 3.562 -7.575 1.00 0.00 C ATOM 1476 O ILE B 478 7.345 4.222 -8.061 1.00 0.00 O ATOM 1477 CB ILE B 478 6.271 3.888 -5.092 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.448 4.503 -3.957 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.685 4.459 -5.095 1.00 0.00 C ATOM 1480 CD1 ILE B 478 6.108 4.382 -2.604 1.00 0.00 C ATOM 0 H ILE B 478 3.968 3.088 -5.582 1.00 0.00 H new ATOM 0 HA ILE B 478 5.451 5.204 -6.598 1.00 0.00 H new ATOM 0 HB ILE B 478 6.347 2.812 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE B 478 5.273 5.557 -4.175 1.00 0.00 H new ATOM 0 HG13 ILE B 478 4.472 4.018 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE B 478 8.155 4.273 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE B 478 8.269 3.980 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.643 5.533 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE B 478 5.471 4.838 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE B 478 6.259 3.329 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE B 478 7.072 4.891 -2.622 1.00 0.00 H new ATOM 1492 N LYS B 479 6.080 2.354 -8.008 1.00 0.00 N ATOM 1493 CA LYS B 479 6.849 1.644 -9.018 1.00 0.00 C ATOM 1494 C LYS B 479 6.944 2.429 -10.326 1.00 0.00 C ATOM 1495 O LYS B 479 8.025 2.558 -10.895 1.00 0.00 O ATOM 1496 CB LYS B 479 6.245 0.255 -9.264 1.00 0.00 C ATOM 1497 CG LYS B 479 7.011 -0.592 -10.272 1.00 0.00 C ATOM 1498 CD LYS B 479 8.466 -0.787 -9.868 1.00 0.00 C ATOM 1499 CE LYS B 479 8.604 -1.532 -8.548 1.00 0.00 C ATOM 1500 NZ LYS B 479 10.029 -1.698 -8.156 1.00 0.00 N ATOM 0 H LYS B 479 5.264 1.843 -7.670 1.00 0.00 H new ATOM 0 HA LYS B 479 7.864 1.530 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS B 479 6.199 -0.282 -8.316 1.00 0.00 H new ATOM 0 HB3 LYS B 479 5.219 0.374 -9.612 1.00 0.00 H new ATOM 0 HG2 LYS B 479 6.529 -1.565 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS B 479 6.968 -0.116 -11.252 1.00 0.00 H new ATOM 0 HD2 LYS B 479 8.987 -1.339 -10.650 1.00 0.00 H new ATOM 0 HD3 LYS B 479 8.952 0.185 -9.786 1.00 0.00 H new ATOM 0 HE2 LYS B 479 8.073 -0.989 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS B 479 8.133 -2.512 -8.632 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 10.083 -2.210 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 10.530 -2.238 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 10.471 -0.763 -8.051 1.00 0.00 H new ATOM 1514 N LYS B 480 5.833 2.953 -10.812 1.00 0.00 N ATOM 1515 CA LYS B 480 5.869 3.702 -12.062 1.00 0.00 C ATOM 1516 C LYS B 480 5.502 5.169 -11.862 1.00 0.00 C ATOM 1517 O LYS B 480 5.644 5.978 -12.779 1.00 0.00 O ATOM 1518 CB LYS B 480 4.978 3.066 -13.142 1.00 0.00 C ATOM 1519 CG LYS B 480 3.528 2.831 -12.735 1.00 0.00 C ATOM 1520 CD LYS B 480 3.363 1.568 -11.901 1.00 0.00 C ATOM 1521 CE LYS B 480 3.839 0.329 -12.646 1.00 0.00 C ATOM 1522 NZ LYS B 480 3.454 -0.923 -11.943 1.00 0.00 N ATOM 0 H LYS B 480 4.914 2.879 -10.376 1.00 0.00 H new ATOM 0 HA LYS B 480 6.901 3.660 -12.412 1.00 0.00 H new ATOM 0 HB2 LYS B 480 4.991 3.706 -14.024 1.00 0.00 H new ATOM 0 HB3 LYS B 480 5.415 2.111 -13.435 1.00 0.00 H new ATOM 0 HG2 LYS B 480 3.168 3.689 -12.167 1.00 0.00 H new ATOM 0 HG3 LYS B 480 2.909 2.758 -13.629 1.00 0.00 H new ATOM 0 HD2 LYS B 480 3.924 1.671 -10.972 1.00 0.00 H new ATOM 0 HD3 LYS B 480 2.314 1.447 -11.629 1.00 0.00 H new ATOM 0 HE2 LYS B 480 3.417 0.325 -13.651 1.00 0.00 H new ATOM 0 HE3 LYS B 480 4.923 0.365 -12.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 3.219 -1.656 -12.643 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 4.247 -1.248 -11.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 2.626 -0.742 -11.340 1.00 0.00 H new