USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 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 133 GLN : amide:sc= -0.0521 X(o=-2.6,f=-2.6) USER MOD Set 1.2: A 137 ASN : amide:sc= -2.51! C(o=-2.6!,f=-4.6!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.072 K(o=-0.072,f=-1.4) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 90:sc= 0.196 USER MOD Single : A 117 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0118) USER MOD Single : A 127 GLN : amide:sc= -0.749 K(o=-0.75,f=-2.3) USER MOD Single : A 128 MET CE :methyl -142:sc= -0.135 (180deg=-0.353) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.00156 USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.104) USER MOD Single : A 160 TYR OH : rot 180:sc= -2.82! USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.496 10.551 -5.706 1.00 0.00 N ATOM 67 CA PHE A 105 7.840 9.254 -5.822 1.00 0.00 C ATOM 68 C PHE A 105 7.121 8.889 -4.527 1.00 0.00 C ATOM 69 O PHE A 105 5.978 8.431 -4.545 1.00 0.00 O ATOM 70 CB PHE A 105 8.862 8.171 -6.174 1.00 0.00 C ATOM 71 CG PHE A 105 8.349 6.774 -5.972 1.00 0.00 C ATOM 72 CD1 PHE A 105 7.164 6.365 -6.563 1.00 0.00 C ATOM 73 CD2 PHE A 105 9.052 5.869 -5.193 1.00 0.00 C ATOM 74 CE1 PHE A 105 6.690 5.080 -6.379 1.00 0.00 C ATOM 75 CE2 PHE A 105 8.582 4.582 -5.006 1.00 0.00 C ATOM 76 CZ PHE A 105 7.400 4.187 -5.600 1.00 0.00 C ATOM 0 HA PHE A 105 7.101 9.320 -6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.164 8.292 -7.214 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.755 8.313 -5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.605 7.058 -7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.978 6.172 -4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.765 4.774 -6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 105 9.139 3.886 -4.396 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.031 3.182 -5.456 1.00 0.00 H new ATOM 86 N LEU A 106 7.799 9.095 -3.403 1.00 0.00 N ATOM 87 CA LEU A 106 7.227 8.788 -2.097 1.00 0.00 C ATOM 88 C LEU A 106 5.985 9.635 -1.834 1.00 0.00 C ATOM 89 O LEU A 106 4.964 9.130 -1.366 1.00 0.00 O ATOM 90 CB LEU A 106 8.262 9.025 -0.996 1.00 0.00 C ATOM 91 CG LEU A 106 9.416 8.024 -0.934 1.00 0.00 C ATOM 92 CD1 LEU A 106 10.656 8.675 -0.341 1.00 0.00 C ATOM 93 CD2 LEU A 106 9.017 6.798 -0.125 1.00 0.00 C ATOM 0 H LEU A 106 8.746 9.473 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 106 6.936 7.738 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.680 10.023 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.749 9.017 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 106 9.648 7.704 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.467 7.947 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.955 9.521 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.436 9.024 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.851 6.097 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.757 7.100 0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.157 6.318 -0.592 1.00 0.00 H new ATOM 105 N THR A 107 6.080 10.925 -2.139 1.00 0.00 N ATOM 106 CA THR A 107 4.965 11.842 -1.937 1.00 0.00 C ATOM 107 C THR A 107 3.771 11.456 -2.803 1.00 0.00 C ATOM 108 O THR A 107 2.636 11.418 -2.330 1.00 0.00 O ATOM 109 CB THR A 107 5.367 13.294 -2.256 1.00 0.00 C ATOM 110 OG1 THR A 107 6.536 13.653 -1.511 1.00 0.00 O ATOM 111 CG2 THR A 107 4.234 14.254 -1.925 1.00 0.00 C ATOM 0 H THR A 107 6.918 11.359 -2.527 1.00 0.00 H new ATOM 0 HA THR A 107 4.686 11.772 -0.886 1.00 0.00 H new ATOM 0 HB THR A 107 5.581 13.363 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.786 14.577 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.541 15.273 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.354 13.996 -2.515 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.994 14.181 -0.864 1.00 0.00 H new ATOM 119 N GLU A 108 4.036 11.168 -4.074 1.00 0.00 N ATOM 120 CA GLU A 108 2.982 10.785 -5.005 1.00 0.00 C ATOM 121 C GLU A 108 2.331 9.472 -4.579 1.00 0.00 C ATOM 122 O GLU A 108 1.123 9.287 -4.733 1.00 0.00 O ATOM 123 CB GLU A 108 3.546 10.651 -6.422 1.00 0.00 C ATOM 124 CG GLU A 108 4.006 11.969 -7.021 1.00 0.00 C ATOM 125 CD GLU A 108 4.561 11.811 -8.423 1.00 0.00 C ATOM 126 OE1 GLU A 108 4.009 10.996 -9.192 1.00 0.00 O ATOM 127 OE2 GLU A 108 5.548 12.502 -8.751 1.00 0.00 O ATOM 0 H GLU A 108 4.971 11.193 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 108 2.223 11.567 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.386 9.956 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.784 10.215 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.168 12.666 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.770 12.408 -6.379 1.00 0.00 H new ATOM 134 N PHE A 109 3.139 8.564 -4.044 1.00 0.00 N ATOM 135 CA PHE A 109 2.643 7.267 -3.597 1.00 0.00 C ATOM 136 C PHE A 109 1.735 7.422 -2.380 1.00 0.00 C ATOM 137 O PHE A 109 0.651 6.841 -2.324 1.00 0.00 O ATOM 138 CB PHE A 109 3.812 6.339 -3.260 1.00 0.00 C ATOM 139 CG PHE A 109 3.399 5.101 -2.516 1.00 0.00 C ATOM 140 CD1 PHE A 109 2.380 4.295 -2.999 1.00 0.00 C ATOM 141 CD2 PHE A 109 4.029 4.743 -1.336 1.00 0.00 C ATOM 142 CE1 PHE A 109 1.998 3.155 -2.316 1.00 0.00 C ATOM 143 CE2 PHE A 109 3.651 3.605 -0.649 1.00 0.00 C ATOM 144 CZ PHE A 109 2.635 2.809 -1.140 1.00 0.00 C ATOM 0 H PHE A 109 4.141 8.702 -3.909 1.00 0.00 H new ATOM 0 HA PHE A 109 2.062 6.829 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.313 6.048 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.540 6.887 -2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.879 4.560 -3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.825 5.361 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.202 2.535 -2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.150 3.338 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.339 1.918 -0.606 1.00 0.00 H new ATOM 154 N ILE A 110 2.186 8.210 -1.410 1.00 0.00 N ATOM 155 CA ILE A 110 1.415 8.442 -0.195 1.00 0.00 C ATOM 156 C ILE A 110 0.064 9.074 -0.514 1.00 0.00 C ATOM 157 O ILE A 110 -0.964 8.672 0.029 1.00 0.00 O ATOM 158 CB ILE A 110 2.174 9.351 0.789 1.00 0.00 C ATOM 159 CG1 ILE A 110 3.463 8.670 1.255 1.00 0.00 C ATOM 160 CG2 ILE A 110 1.292 9.698 1.979 1.00 0.00 C ATOM 161 CD1 ILE A 110 4.423 9.608 1.953 1.00 0.00 C ATOM 0 H ILE A 110 3.081 8.698 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 110 1.258 7.469 0.270 1.00 0.00 H new ATOM 0 HB ILE A 110 2.438 10.276 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.209 7.854 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.962 8.227 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.843 10.341 2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.400 10.219 1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.000 8.783 2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.314 9.058 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.706 10.411 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.941 10.032 2.834 1.00 0.00 H new ATOM 173 N ASN A 111 0.075 10.065 -1.399 1.00 0.00 N ATOM 174 CA ASN A 111 -1.150 10.752 -1.792 1.00 0.00 C ATOM 175 C ASN A 111 -2.175 9.765 -2.343 1.00 0.00 C ATOM 176 O ASN A 111 -3.373 9.889 -2.086 1.00 0.00 O ATOM 177 CB ASN A 111 -0.845 11.825 -2.839 1.00 0.00 C ATOM 178 CG ASN A 111 0.024 12.940 -2.288 1.00 0.00 C ATOM 179 OD1 ASN A 111 0.376 12.942 -1.109 1.00 0.00 O ATOM 180 ND2 ASN A 111 0.373 13.895 -3.143 1.00 0.00 N ATOM 0 H ASN A 111 0.918 10.410 -1.858 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.570 11.228 -0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.345 11.365 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.781 12.246 -3.208 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.956 14.671 -2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.058 13.852 -4.112 1.00 0.00 H new ATOM 187 N TYR A 112 -1.696 8.785 -3.102 1.00 0.00 N ATOM 188 CA TYR A 112 -2.570 7.778 -3.691 1.00 0.00 C ATOM 189 C TYR A 112 -3.154 6.867 -2.615 1.00 0.00 C ATOM 190 O TYR A 112 -4.303 6.434 -2.710 1.00 0.00 O ATOM 191 CB TYR A 112 -1.802 6.945 -4.719 1.00 0.00 C ATOM 192 CG TYR A 112 -2.685 6.031 -5.538 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.764 6.533 -6.255 1.00 0.00 C ATOM 194 CD2 TYR A 112 -2.439 4.664 -5.596 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.574 5.701 -7.004 1.00 0.00 C ATOM 196 CE2 TYR A 112 -3.242 3.825 -6.344 1.00 0.00 C ATOM 197 CZ TYR A 112 -4.308 4.348 -7.045 1.00 0.00 C ATOM 198 OH TYR A 112 -5.111 3.516 -7.791 1.00 0.00 O ATOM 0 H TYR A 112 -0.707 8.667 -3.323 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.391 8.293 -4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.266 7.616 -5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.053 6.345 -4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.973 7.592 -6.226 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.606 4.251 -5.047 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.410 6.107 -7.554 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.036 2.765 -6.380 1.00 0.00 H new ATOM 0 HH TYR A 112 -4.788 2.594 -7.714 1.00 0.00 H new ATOM 208 N ILE A 113 -2.354 6.581 -1.594 1.00 0.00 N ATOM 209 CA ILE A 113 -2.791 5.723 -0.499 1.00 0.00 C ATOM 210 C ILE A 113 -3.888 6.394 0.320 1.00 0.00 C ATOM 211 O ILE A 113 -4.860 5.752 0.721 1.00 0.00 O ATOM 212 CB ILE A 113 -1.620 5.359 0.433 1.00 0.00 C ATOM 213 CG1 ILE A 113 -0.525 4.630 -0.349 1.00 0.00 C ATOM 214 CG2 ILE A 113 -2.111 4.504 1.591 1.00 0.00 C ATOM 215 CD1 ILE A 113 0.807 4.594 0.367 1.00 0.00 C ATOM 0 H ILE A 113 -1.400 6.930 -1.502 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.183 4.811 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.199 6.278 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.850 3.608 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.396 5.116 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.272 4.255 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -2.859 5.057 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -2.555 3.587 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.535 4.062 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.154 5.612 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.693 4.081 1.322 1.00 0.00 H new ATOM 227 N LYS A 114 -3.728 7.690 0.565 1.00 0.00 N ATOM 228 CA LYS A 114 -4.706 8.451 1.333 1.00 0.00 C ATOM 229 C LYS A 114 -6.095 8.333 0.714 1.00 0.00 C ATOM 230 O LYS A 114 -7.070 8.030 1.403 1.00 0.00 O ATOM 231 CB LYS A 114 -4.293 9.922 1.409 1.00 0.00 C ATOM 232 CG LYS A 114 -2.981 10.148 2.139 1.00 0.00 C ATOM 233 CD LYS A 114 -3.111 9.855 3.625 1.00 0.00 C ATOM 234 CE LYS A 114 -2.017 10.544 4.427 1.00 0.00 C ATOM 235 NZ LYS A 114 -2.322 11.983 4.658 1.00 0.00 N ATOM 0 H LYS A 114 -2.929 8.236 0.242 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.740 8.037 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.210 10.320 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.080 10.486 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.209 9.510 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.658 11.179 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.087 10.188 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.062 8.779 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.897 10.040 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.068 10.454 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.553 12.417 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.411 12.470 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.215 12.068 5.184 1.00 0.00 H new ATOM 249 N LYS A 115 -6.179 8.573 -0.590 1.00 0.00 N ATOM 250 CA LYS A 115 -7.448 8.491 -1.303 1.00 0.00 C ATOM 251 C LYS A 115 -7.899 7.041 -1.447 1.00 0.00 C ATOM 252 O LYS A 115 -9.077 6.727 -1.272 1.00 0.00 O ATOM 253 CB LYS A 115 -7.322 9.137 -2.685 1.00 0.00 C ATOM 254 CG LYS A 115 -7.024 10.625 -2.636 1.00 0.00 C ATOM 255 CD LYS A 115 -7.362 11.305 -3.952 1.00 0.00 C ATOM 256 CE LYS A 115 -8.858 11.538 -4.092 1.00 0.00 C ATOM 257 NZ LYS A 115 -9.306 12.738 -3.333 1.00 0.00 N ATOM 0 H LYS A 115 -5.383 8.826 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.198 9.030 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.530 8.635 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -8.249 8.979 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.596 11.085 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.970 10.778 -2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.837 12.258 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.009 10.691 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.109 11.660 -5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.397 10.660 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -10.331 12.862 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.089 12.611 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.811 13.580 -3.690 1.00 0.00 H new ATOM 271 N SER A 116 -6.955 6.161 -1.766 1.00 0.00 N ATOM 272 CA SER A 116 -7.257 4.745 -1.935 1.00 0.00 C ATOM 273 C SER A 116 -7.594 4.097 -0.596 1.00 0.00 C ATOM 274 O SER A 116 -6.726 3.924 0.260 1.00 0.00 O ATOM 275 CB SER A 116 -6.072 4.023 -2.580 1.00 0.00 C ATOM 276 OG SER A 116 -5.961 4.352 -3.954 1.00 0.00 O ATOM 0 H SER A 116 -5.975 6.404 -1.912 1.00 0.00 H new ATOM 0 HA SER A 116 -8.125 4.660 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.152 4.294 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.195 2.946 -2.470 1.00 0.00 H new ATOM 0 HG SER A 116 -5.390 5.142 -4.056 1.00 0.00 H new ATOM 282 N LYS A 117 -8.862 3.741 -0.420 1.00 0.00 N ATOM 283 CA LYS A 117 -9.317 3.111 0.813 1.00 0.00 C ATOM 284 C LYS A 117 -8.647 1.755 1.011 1.00 0.00 C ATOM 285 O LYS A 117 -8.201 1.426 2.110 1.00 0.00 O ATOM 286 CB LYS A 117 -10.838 2.943 0.794 1.00 0.00 C ATOM 287 CG LYS A 117 -11.596 4.257 0.860 1.00 0.00 C ATOM 288 CD LYS A 117 -13.091 4.031 1.009 1.00 0.00 C ATOM 289 CE LYS A 117 -13.734 3.657 -0.317 1.00 0.00 C ATOM 290 NZ LYS A 117 -13.914 4.842 -1.201 1.00 0.00 N ATOM 0 H LYS A 117 -9.594 3.879 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.040 3.758 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -11.125 2.413 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.137 2.318 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -11.231 4.847 1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -11.403 4.835 -0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.269 3.240 1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -13.559 4.935 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -13.116 2.916 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -14.702 3.191 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -14.416 4.557 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -14.468 5.567 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.983 5.231 -1.454 1.00 0.00 H new ATOM 304 N VAL A 118 -8.578 0.972 -0.061 1.00 0.00 N ATOM 305 CA VAL A 118 -7.961 -0.347 -0.006 1.00 0.00 C ATOM 306 C VAL A 118 -6.904 -0.505 -1.094 1.00 0.00 C ATOM 307 O VAL A 118 -7.209 -0.442 -2.285 1.00 0.00 O ATOM 308 CB VAL A 118 -9.009 -1.465 -0.159 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.336 -2.829 -0.186 1.00 0.00 C ATOM 310 CG2 VAL A 118 -10.034 -1.390 0.963 1.00 0.00 C ATOM 0 H VAL A 118 -8.942 1.229 -0.978 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.488 -0.434 0.972 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.529 -1.325 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.093 -3.606 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.644 -2.877 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.789 -2.983 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.767 -2.187 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.531 -1.505 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.539 -0.424 0.931 1.00 0.00 H new ATOM 320 N VAL A 119 -5.659 -0.711 -0.677 1.00 0.00 N ATOM 321 CA VAL A 119 -4.556 -0.880 -1.615 1.00 0.00 C ATOM 322 C VAL A 119 -3.870 -2.227 -1.420 1.00 0.00 C ATOM 323 O VAL A 119 -3.413 -2.551 -0.323 1.00 0.00 O ATOM 324 CB VAL A 119 -3.512 0.242 -1.463 1.00 0.00 C ATOM 325 CG1 VAL A 119 -2.378 0.056 -2.459 1.00 0.00 C ATOM 326 CG2 VAL A 119 -4.167 1.605 -1.636 1.00 0.00 C ATOM 0 H VAL A 119 -5.389 -0.765 0.305 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.983 -0.835 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.092 0.190 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.651 0.858 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -1.893 -0.904 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.777 0.080 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.415 2.387 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.615 1.670 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.940 1.736 -0.879 1.00 0.00 H new ATOM 336 N LEU A 120 -3.800 -3.010 -2.491 1.00 0.00 N ATOM 337 CA LEU A 120 -3.168 -4.324 -2.439 1.00 0.00 C ATOM 338 C LEU A 120 -1.729 -4.256 -2.939 1.00 0.00 C ATOM 339 O LEU A 120 -1.420 -3.521 -3.878 1.00 0.00 O ATOM 340 CB LEU A 120 -3.964 -5.328 -3.275 1.00 0.00 C ATOM 341 CG LEU A 120 -5.072 -6.084 -2.540 1.00 0.00 C ATOM 342 CD1 LEU A 120 -4.524 -6.748 -1.286 1.00 0.00 C ATOM 343 CD2 LEU A 120 -6.217 -5.145 -2.192 1.00 0.00 C ATOM 0 H LEU A 120 -4.173 -2.758 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.157 -4.654 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.410 -4.797 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.268 -6.057 -3.691 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.455 -6.862 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -5.327 -7.281 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.738 -7.452 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -4.114 -5.988 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.996 -5.700 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.849 -4.345 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.627 -4.717 -3.107 1.00 0.00 H new ATOM 355 N LEU A 121 -0.851 -5.029 -2.307 1.00 0.00 N ATOM 356 CA LEU A 121 0.556 -5.059 -2.689 1.00 0.00 C ATOM 357 C LEU A 121 0.721 -5.554 -4.123 1.00 0.00 C ATOM 358 O LEU A 121 1.538 -5.031 -4.880 1.00 0.00 O ATOM 359 CB LEU A 121 1.345 -5.955 -1.734 1.00 0.00 C ATOM 360 CG LEU A 121 1.065 -5.759 -0.244 1.00 0.00 C ATOM 361 CD1 LEU A 121 1.741 -6.848 0.575 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.530 -4.383 0.210 1.00 0.00 C ATOM 0 H LEU A 121 -1.090 -5.643 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 121 0.945 -4.043 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 121 1.138 -6.994 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.408 -5.790 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.011 -5.828 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 121 1.530 -6.691 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 121 1.360 -7.822 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.818 -6.812 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.323 -4.261 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.602 -4.285 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 121 0.999 -3.615 -0.353 1.00 0.00 H new ATOM 374 N GLU A 122 -0.062 -6.564 -4.488 1.00 0.00 N ATOM 375 CA GLU A 122 -0.003 -7.129 -5.831 1.00 0.00 C ATOM 376 C GLU A 122 -0.450 -6.105 -6.871 1.00 0.00 C ATOM 377 O GLU A 122 0.163 -5.973 -7.931 1.00 0.00 O ATOM 378 CB GLU A 122 -0.880 -8.380 -5.922 1.00 0.00 C ATOM 379 CG GLU A 122 -0.295 -9.585 -5.206 1.00 0.00 C ATOM 380 CD GLU A 122 -0.776 -10.900 -5.788 1.00 0.00 C ATOM 381 OE1 GLU A 122 -0.679 -11.074 -7.021 1.00 0.00 O ATOM 382 OE2 GLU A 122 -1.250 -11.755 -5.010 1.00 0.00 O ATOM 0 H GLU A 122 -0.744 -7.008 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 122 1.031 -7.404 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -1.860 -8.158 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.034 -8.631 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.793 -9.543 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.562 -9.540 -4.150 1.00 0.00 H new ATOM 389 N ASP A 123 -1.522 -5.384 -6.561 1.00 0.00 N ATOM 390 CA ASP A 123 -2.051 -4.372 -7.468 1.00 0.00 C ATOM 391 C ASP A 123 -1.111 -3.174 -7.553 1.00 0.00 C ATOM 392 O ASP A 123 -0.903 -2.610 -8.628 1.00 0.00 O ATOM 393 CB ASP A 123 -3.437 -3.918 -7.006 1.00 0.00 C ATOM 394 CG ASP A 123 -4.224 -3.244 -8.113 1.00 0.00 C ATOM 395 OD1 ASP A 123 -4.405 -3.871 -9.177 1.00 0.00 O ATOM 396 OD2 ASP A 123 -4.657 -2.090 -7.915 1.00 0.00 O ATOM 0 H ASP A 123 -2.042 -5.482 -5.689 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.135 -4.816 -8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.995 -4.780 -6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.330 -3.229 -6.169 1.00 0.00 H new ATOM 401 N LEU A 124 -0.548 -2.789 -6.413 1.00 0.00 N ATOM 402 CA LEU A 124 0.370 -1.656 -6.358 1.00 0.00 C ATOM 403 C LEU A 124 1.604 -1.912 -7.216 1.00 0.00 C ATOM 404 O LEU A 124 2.107 -1.009 -7.883 1.00 0.00 O ATOM 405 CB LEU A 124 0.787 -1.383 -4.912 1.00 0.00 C ATOM 406 CG LEU A 124 1.979 -0.444 -4.723 1.00 0.00 C ATOM 407 CD1 LEU A 124 1.611 0.975 -5.128 1.00 0.00 C ATOM 408 CD2 LEU A 124 2.464 -0.480 -3.282 1.00 0.00 C ATOM 0 H LEU A 124 -0.711 -3.244 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.147 -0.781 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.068 -0.964 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.021 -2.335 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 124 2.790 -0.785 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.472 1.629 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.314 0.989 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.784 1.326 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 124 3.313 0.194 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.658 -0.166 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.769 -1.495 -3.026 1.00 0.00 H new ATOM 420 N ALA A 125 2.086 -3.151 -7.195 1.00 0.00 N ATOM 421 CA ALA A 125 3.259 -3.528 -7.974 1.00 0.00 C ATOM 422 C ALA A 125 2.990 -3.397 -9.469 1.00 0.00 C ATOM 423 O ALA A 125 3.804 -2.846 -10.210 1.00 0.00 O ATOM 424 CB ALA A 125 3.684 -4.949 -7.634 1.00 0.00 C ATOM 0 H ALA A 125 1.682 -3.910 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 125 4.070 -2.847 -7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.561 -5.217 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 125 3.926 -5.012 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.870 -5.637 -7.862 1.00 0.00 H new ATOM 430 N PHE A 126 1.844 -3.907 -9.906 1.00 0.00 N ATOM 431 CA PHE A 126 1.468 -3.848 -11.314 1.00 0.00 C ATOM 432 C PHE A 126 1.141 -2.417 -11.730 1.00 0.00 C ATOM 433 O PHE A 126 1.558 -1.959 -12.794 1.00 0.00 O ATOM 434 CB PHE A 126 0.266 -4.756 -11.581 1.00 0.00 C ATOM 435 CG PHE A 126 -0.259 -4.658 -12.985 1.00 0.00 C ATOM 436 CD1 PHE A 126 0.251 -5.468 -13.988 1.00 0.00 C ATOM 437 CD2 PHE A 126 -1.261 -3.756 -13.302 1.00 0.00 C ATOM 438 CE1 PHE A 126 -0.230 -5.380 -15.280 1.00 0.00 C ATOM 439 CE2 PHE A 126 -1.747 -3.665 -14.593 1.00 0.00 C ATOM 440 CZ PHE A 126 -1.230 -4.477 -15.584 1.00 0.00 C ATOM 0 H PHE A 126 1.159 -4.366 -9.306 1.00 0.00 H new ATOM 0 HA PHE A 126 2.315 -4.195 -11.905 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.549 -5.789 -11.379 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.533 -4.502 -10.884 1.00 0.00 H new ATOM 0 HD1 PHE A 126 1.033 -6.176 -13.757 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -1.667 -3.117 -12.532 1.00 0.00 H new ATOM 0 HE1 PHE A 126 0.176 -6.017 -16.052 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -2.531 -2.959 -14.827 1.00 0.00 H new ATOM 0 HZ PHE A 126 -1.607 -4.406 -16.594 1.00 0.00 H new ATOM 450 N GLN A 127 0.392 -1.717 -10.884 1.00 0.00 N ATOM 451 CA GLN A 127 0.008 -0.339 -11.165 1.00 0.00 C ATOM 452 C GLN A 127 1.238 0.530 -11.410 1.00 0.00 C ATOM 453 O GLN A 127 1.283 1.301 -12.368 1.00 0.00 O ATOM 454 CB GLN A 127 -0.810 0.231 -10.005 1.00 0.00 C ATOM 455 CG GLN A 127 -1.592 1.483 -10.370 1.00 0.00 C ATOM 456 CD GLN A 127 -0.789 2.752 -10.165 1.00 0.00 C ATOM 457 OE1 GLN A 127 -0.068 2.892 -9.176 1.00 0.00 O ATOM 458 NE2 GLN A 127 -0.909 3.686 -11.101 1.00 0.00 N ATOM 0 H GLN A 127 0.039 -2.081 -9.999 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.603 -0.336 -12.068 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.505 -0.531 -9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.140 0.460 -9.176 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -1.906 1.420 -11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -2.499 1.530 -9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.518 3.528 -11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -0.392 4.561 -11.017 1.00 0.00 H new ATOM 467 N MET A 128 2.232 0.399 -10.538 1.00 0.00 N ATOM 468 CA MET A 128 3.462 1.172 -10.662 1.00 0.00 C ATOM 469 C MET A 128 4.531 0.378 -11.406 1.00 0.00 C ATOM 470 O MET A 128 5.578 0.914 -11.767 1.00 0.00 O ATOM 471 CB MET A 128 3.979 1.571 -9.278 1.00 0.00 C ATOM 472 CG MET A 128 3.152 2.658 -8.611 1.00 0.00 C ATOM 473 SD MET A 128 3.741 3.062 -6.956 1.00 0.00 S ATOM 474 CE MET A 128 2.794 4.543 -6.611 1.00 0.00 C ATOM 0 H MET A 128 2.210 -0.234 -9.739 1.00 0.00 H new ATOM 0 HA MET A 128 3.240 2.073 -11.234 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.992 0.690 -8.636 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.010 1.914 -9.369 1.00 0.00 H new ATOM 0 HG2 MET A 128 3.173 3.556 -9.229 1.00 0.00 H new ATOM 0 HG3 MET A 128 2.113 2.335 -8.554 1.00 0.00 H new ATOM 0 HE1 MET A 128 3.415 5.253 -6.064 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.468 4.993 -7.549 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.922 4.285 -6.010 1.00 0.00 H new ATOM 484 N GLY A 129 4.259 -0.904 -11.634 1.00 0.00 N ATOM 485 CA GLY A 129 5.207 -1.750 -12.334 1.00 0.00 C ATOM 486 C GLY A 129 6.228 -2.372 -11.402 1.00 0.00 C ATOM 487 O GLY A 129 6.669 -3.502 -11.616 1.00 0.00 O ATOM 0 H GLY A 129 3.399 -1.371 -11.346 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.667 -2.540 -12.856 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.723 -1.162 -13.093 1.00 0.00 H new ATOM 491 N LEU A 130 6.607 -1.633 -10.365 1.00 0.00 N ATOM 492 CA LEU A 130 7.584 -2.118 -9.396 1.00 0.00 C ATOM 493 C LEU A 130 7.231 -3.524 -8.923 1.00 0.00 C ATOM 494 O LEU A 130 6.065 -3.919 -8.935 1.00 0.00 O ATOM 495 CB LEU A 130 7.660 -1.169 -8.200 1.00 0.00 C ATOM 496 CG LEU A 130 8.008 0.286 -8.518 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.737 1.175 -7.314 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.462 0.404 -8.953 1.00 0.00 C ATOM 0 H LEU A 130 6.253 -0.696 -10.174 1.00 0.00 H new ATOM 0 HA LEU A 130 8.557 -2.154 -9.886 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.699 -1.188 -7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.403 -1.555 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 130 7.375 0.619 -9.340 1.00 0.00 H new ATOM 0 HD11 LEU A 130 7.990 2.206 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.682 1.114 -7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 130 8.344 0.842 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.692 1.446 -9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.111 0.052 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.625 -0.202 -9.844 1.00 0.00 H new ATOM 510 N ARG A 131 8.244 -4.275 -8.504 1.00 0.00 N ATOM 511 CA ARG A 131 8.040 -5.637 -8.025 1.00 0.00 C ATOM 512 C ARG A 131 7.180 -5.647 -6.765 1.00 0.00 C ATOM 513 O ARG A 131 7.029 -4.625 -6.095 1.00 0.00 O ATOM 514 CB ARG A 131 9.386 -6.308 -7.742 1.00 0.00 C ATOM 515 CG ARG A 131 10.117 -6.758 -8.996 1.00 0.00 C ATOM 516 CD ARG A 131 9.757 -8.187 -9.369 1.00 0.00 C ATOM 517 NE ARG A 131 8.368 -8.503 -9.046 1.00 0.00 N ATOM 518 CZ ARG A 131 7.669 -9.452 -9.658 1.00 0.00 C ATOM 519 NH1 ARG A 131 8.226 -10.175 -10.620 1.00 0.00 N ATOM 520 NH2 ARG A 131 6.409 -9.681 -9.308 1.00 0.00 N ATOM 0 H ARG A 131 9.215 -3.963 -8.486 1.00 0.00 H new ATOM 0 HA ARG A 131 7.520 -6.195 -8.804 1.00 0.00 H new ATOM 0 HB2 ARG A 131 10.020 -5.613 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 131 9.224 -7.171 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 131 9.868 -6.092 -9.822 1.00 0.00 H new ATOM 0 HG3 ARG A 131 11.193 -6.682 -8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 131 9.924 -8.336 -10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 131 10.417 -8.876 -8.843 1.00 0.00 H new ATOM 0 HE ARG A 131 7.910 -7.965 -8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 131 9.194 -10.003 -10.892 1.00 0.00 H new ATOM 0 HH12 ARG A 131 7.687 -10.903 -11.088 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.977 -9.128 -8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 131 5.873 -10.410 -9.779 1.00 0.00 H new ATOM 534 N THR A 132 6.617 -6.808 -6.448 1.00 0.00 N ATOM 535 CA THR A 132 5.770 -6.952 -5.271 1.00 0.00 C ATOM 536 C THR A 132 6.568 -6.733 -3.990 1.00 0.00 C ATOM 537 O THR A 132 6.147 -5.988 -3.106 1.00 0.00 O ATOM 538 CB THR A 132 5.109 -8.342 -5.219 1.00 0.00 C ATOM 539 OG1 THR A 132 4.418 -8.601 -6.446 1.00 0.00 O ATOM 540 CG2 THR A 132 4.137 -8.436 -4.053 1.00 0.00 C ATOM 0 H THR A 132 6.733 -7.664 -6.991 1.00 0.00 H new ATOM 0 HA THR A 132 4.992 -6.192 -5.347 1.00 0.00 H new ATOM 0 HB THR A 132 5.892 -9.088 -5.079 1.00 0.00 H new ATOM 0 HG1 THR A 132 4.002 -9.487 -6.406 1.00 0.00 H new ATOM 0 HG21 THR A 132 3.683 -9.427 -4.037 1.00 0.00 H new ATOM 0 HG22 THR A 132 4.672 -8.267 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.358 -7.682 -4.167 1.00 0.00 H new ATOM 548 N GLN A 133 7.722 -7.387 -3.898 1.00 0.00 N ATOM 549 CA GLN A 133 8.578 -7.263 -2.725 1.00 0.00 C ATOM 550 C GLN A 133 9.147 -5.853 -2.612 1.00 0.00 C ATOM 551 O GLN A 133 9.171 -5.267 -1.529 1.00 0.00 O ATOM 552 CB GLN A 133 9.717 -8.282 -2.789 1.00 0.00 C ATOM 553 CG GLN A 133 10.344 -8.580 -1.437 1.00 0.00 C ATOM 554 CD GLN A 133 9.432 -9.389 -0.536 1.00 0.00 C ATOM 555 OE1 GLN A 133 8.978 -10.472 -0.904 1.00 0.00 O ATOM 556 NE2 GLN A 133 9.158 -8.865 0.653 1.00 0.00 N ATOM 0 H GLN A 133 8.085 -8.008 -4.622 1.00 0.00 H new ATOM 0 HA GLN A 133 7.971 -7.461 -1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.339 -9.210 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.488 -7.910 -3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.277 -9.124 -1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.597 -7.642 -0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.556 -7.964 0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.549 -9.364 1.302 1.00 0.00 H new ATOM 565 N ASP A 134 9.603 -5.313 -3.737 1.00 0.00 N ATOM 566 CA ASP A 134 10.171 -3.970 -3.765 1.00 0.00 C ATOM 567 C ASP A 134 9.148 -2.938 -3.303 1.00 0.00 C ATOM 568 O ASP A 134 9.443 -2.091 -2.460 1.00 0.00 O ATOM 569 CB ASP A 134 10.659 -3.629 -5.174 1.00 0.00 C ATOM 570 CG ASP A 134 12.051 -4.162 -5.450 1.00 0.00 C ATOM 571 OD1 ASP A 134 13.010 -3.670 -4.820 1.00 0.00 O ATOM 572 OD2 ASP A 134 12.181 -5.071 -6.297 1.00 0.00 O ATOM 0 H ASP A 134 9.590 -5.785 -4.641 1.00 0.00 H new ATOM 0 HA ASP A 134 11.019 -3.946 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 134 9.964 -4.041 -5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 134 10.655 -2.547 -5.305 1.00 0.00 H new ATOM 577 N ALA A 135 7.945 -3.014 -3.861 1.00 0.00 N ATOM 578 CA ALA A 135 6.878 -2.086 -3.506 1.00 0.00 C ATOM 579 C ALA A 135 6.499 -2.223 -2.035 1.00 0.00 C ATOM 580 O ALA A 135 6.275 -1.226 -1.347 1.00 0.00 O ATOM 581 CB ALA A 135 5.661 -2.318 -4.390 1.00 0.00 C ATOM 0 H ALA A 135 7.684 -3.709 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 135 7.243 -1.072 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.872 -1.618 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.935 -2.163 -5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 135 5.304 -3.339 -4.256 1.00 0.00 H new ATOM 587 N ILE A 136 6.429 -3.461 -1.559 1.00 0.00 N ATOM 588 CA ILE A 136 6.077 -3.727 -0.170 1.00 0.00 C ATOM 589 C ILE A 136 7.094 -3.106 0.782 1.00 0.00 C ATOM 590 O ILE A 136 6.728 -2.519 1.800 1.00 0.00 O ATOM 591 CB ILE A 136 5.987 -5.239 0.109 1.00 0.00 C ATOM 592 CG1 ILE A 136 4.767 -5.837 -0.595 1.00 0.00 C ATOM 593 CG2 ILE A 136 5.921 -5.498 1.607 1.00 0.00 C ATOM 594 CD1 ILE A 136 4.851 -7.336 -0.779 1.00 0.00 C ATOM 0 H ILE A 136 6.612 -4.296 -2.115 1.00 0.00 H new ATOM 0 HA ILE A 136 5.099 -3.276 -0.000 1.00 0.00 H new ATOM 0 HB ILE A 136 6.882 -5.721 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 136 3.872 -5.599 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 136 4.653 -5.365 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.858 -6.571 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.817 -5.102 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.041 -5.007 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.953 -7.691 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 136 5.727 -7.580 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 136 4.934 -7.818 0.195 1.00 0.00 H new ATOM 606 N ASN A 137 8.372 -3.238 0.443 1.00 0.00 N ATOM 607 CA ASN A 137 9.442 -2.688 1.268 1.00 0.00 C ATOM 608 C ASN A 137 9.265 -1.185 1.458 1.00 0.00 C ATOM 609 O ASN A 137 9.626 -0.634 2.498 1.00 0.00 O ATOM 610 CB ASN A 137 10.803 -2.976 0.632 1.00 0.00 C ATOM 611 CG ASN A 137 10.967 -4.435 0.252 1.00 0.00 C ATOM 612 OD1 ASN A 137 10.238 -5.300 0.738 1.00 0.00 O ATOM 613 ND2 ASN A 137 11.929 -4.715 -0.620 1.00 0.00 N ATOM 0 H ASN A 137 8.692 -3.721 -0.397 1.00 0.00 H new ATOM 0 HA ASN A 137 9.396 -3.167 2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.924 -2.356 -0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.593 -2.694 1.328 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.087 -5.679 -0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.509 -3.966 -0.997 1.00 0.00 H new ATOM 620 N ARG A 138 8.706 -0.528 0.447 1.00 0.00 N ATOM 621 CA ARG A 138 8.481 0.911 0.502 1.00 0.00 C ATOM 622 C ARG A 138 7.489 1.265 1.607 1.00 0.00 C ATOM 623 O ARG A 138 7.727 2.177 2.399 1.00 0.00 O ATOM 624 CB ARG A 138 7.963 1.420 -0.844 1.00 0.00 C ATOM 625 CG ARG A 138 8.941 1.215 -1.990 1.00 0.00 C ATOM 626 CD ARG A 138 10.142 2.140 -1.870 1.00 0.00 C ATOM 627 NE ARG A 138 11.300 1.631 -2.598 1.00 0.00 N ATOM 628 CZ ARG A 138 12.019 0.587 -2.199 1.00 0.00 C ATOM 629 NH1 ARG A 138 11.699 -0.054 -1.083 1.00 0.00 N ATOM 630 NH2 ARG A 138 13.059 0.183 -2.916 1.00 0.00 N ATOM 0 H ARG A 138 8.401 -0.970 -0.420 1.00 0.00 H new ATOM 0 HA ARG A 138 9.433 1.393 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 138 7.028 0.911 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 138 7.735 2.482 -0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.278 0.179 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 138 8.435 1.395 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.879 3.127 -2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.401 2.263 -0.818 1.00 0.00 H new ATOM 0 HE ARG A 138 11.572 2.102 -3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 138 10.900 0.254 -0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 138 12.252 -0.855 -0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 138 13.308 0.674 -3.775 1.00 0.00 H new ATOM 0 HH22 ARG A 138 13.610 -0.618 -2.609 1.00 0.00 H new ATOM 644 N ILE A 139 6.379 0.537 1.653 1.00 0.00 N ATOM 645 CA ILE A 139 5.352 0.773 2.661 1.00 0.00 C ATOM 646 C ILE A 139 5.854 0.406 4.053 1.00 0.00 C ATOM 647 O ILE A 139 5.707 1.179 4.999 1.00 0.00 O ATOM 648 CB ILE A 139 4.073 -0.030 2.360 1.00 0.00 C ATOM 649 CG1 ILE A 139 3.519 0.347 0.985 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.030 0.211 3.441 1.00 0.00 C ATOM 651 CD1 ILE A 139 4.065 -0.503 -0.141 1.00 0.00 C ATOM 0 H ILE A 139 6.167 -0.221 1.004 1.00 0.00 H new ATOM 0 HA ILE A 139 5.118 1.837 2.631 1.00 0.00 H new ATOM 0 HB ILE A 139 4.322 -1.091 2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 139 2.433 0.257 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 139 3.749 1.393 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.132 -0.363 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.427 -0.103 4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.783 1.272 3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 139 3.628 -0.179 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 139 5.149 -0.395 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 139 3.812 -1.548 0.036 1.00 0.00 H new ATOM 663 N GLN A 140 6.448 -0.777 4.169 1.00 0.00 N ATOM 664 CA GLN A 140 6.973 -1.246 5.447 1.00 0.00 C ATOM 665 C GLN A 140 7.970 -0.247 6.025 1.00 0.00 C ATOM 666 O GLN A 140 8.014 -0.029 7.235 1.00 0.00 O ATOM 667 CB GLN A 140 7.640 -2.612 5.277 1.00 0.00 C ATOM 668 CG GLN A 140 6.661 -3.734 4.973 1.00 0.00 C ATOM 669 CD GLN A 140 7.226 -5.104 5.294 1.00 0.00 C ATOM 670 OE1 GLN A 140 8.351 -5.429 4.914 1.00 0.00 O ATOM 671 NE2 GLN A 140 6.445 -5.916 5.997 1.00 0.00 N ATOM 0 H GLN A 140 6.578 -1.428 3.395 1.00 0.00 H new ATOM 0 HA GLN A 140 6.139 -1.341 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 140 8.372 -2.552 4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 140 8.187 -2.856 6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 140 5.747 -3.579 5.546 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.387 -3.696 3.919 1.00 0.00 H new ATOM 0 HE21 GLN A 140 5.519 -5.605 6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 140 6.771 -6.851 6.243 1.00 0.00 H new ATOM 680 N ASP A 141 8.769 0.356 5.152 1.00 0.00 N ATOM 681 CA ASP A 141 9.766 1.332 5.575 1.00 0.00 C ATOM 682 C ASP A 141 9.098 2.597 6.104 1.00 0.00 C ATOM 683 O ASP A 141 9.520 3.159 7.115 1.00 0.00 O ATOM 684 CB ASP A 141 10.697 1.680 4.413 1.00 0.00 C ATOM 685 CG ASP A 141 11.882 0.739 4.318 1.00 0.00 C ATOM 686 OD1 ASP A 141 12.410 0.342 5.378 1.00 0.00 O ATOM 687 OD2 ASP A 141 12.281 0.400 3.185 1.00 0.00 O ATOM 0 H ASP A 141 8.746 0.186 4.147 1.00 0.00 H new ATOM 0 HA ASP A 141 10.353 0.889 6.379 1.00 0.00 H new ATOM 0 HB2 ASP A 141 10.135 1.648 3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.057 2.702 4.533 1.00 0.00 H new ATOM 692 N LEU A 142 8.053 3.041 5.413 1.00 0.00 N ATOM 693 CA LEU A 142 7.326 4.241 5.812 1.00 0.00 C ATOM 694 C LEU A 142 6.555 4.005 7.107 1.00 0.00 C ATOM 695 O LEU A 142 6.555 4.849 8.004 1.00 0.00 O ATOM 696 CB LEU A 142 6.364 4.670 4.703 1.00 0.00 C ATOM 697 CG LEU A 142 7.008 5.104 3.386 1.00 0.00 C ATOM 698 CD1 LEU A 142 5.957 5.231 2.294 1.00 0.00 C ATOM 699 CD2 LEU A 142 7.755 6.417 3.565 1.00 0.00 C ATOM 0 H LEU A 142 7.691 2.588 4.574 1.00 0.00 H new ATOM 0 HA LEU A 142 8.052 5.036 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.686 3.842 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 142 5.756 5.494 5.076 1.00 0.00 H new ATOM 0 HG LEU A 142 7.724 4.340 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.434 5.541 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.467 4.269 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.216 5.975 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 142 8.207 6.711 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 142 7.059 7.190 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 142 8.535 6.292 4.316 1.00 0.00 H new ATOM 711 N LEU A 143 5.901 2.852 7.199 1.00 0.00 N ATOM 712 CA LEU A 143 5.128 2.504 8.385 1.00 0.00 C ATOM 713 C LEU A 143 6.034 2.369 9.605 1.00 0.00 C ATOM 714 O LEU A 143 5.628 2.668 10.729 1.00 0.00 O ATOM 715 CB LEU A 143 4.366 1.197 8.156 1.00 0.00 C ATOM 716 CG LEU A 143 3.363 1.200 7.002 1.00 0.00 C ATOM 717 CD1 LEU A 143 2.880 -0.213 6.711 1.00 0.00 C ATOM 718 CD2 LEU A 143 2.187 2.113 7.318 1.00 0.00 C ATOM 0 H LEU A 143 5.891 2.143 6.466 1.00 0.00 H new ATOM 0 HA LEU A 143 4.414 3.306 8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.091 0.403 7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 143 3.834 0.944 9.073 1.00 0.00 H new ATOM 0 HG LEU A 143 3.864 1.582 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 143 2.167 -0.191 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 143 3.730 -0.839 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 143 2.397 -0.622 7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 143 1.484 2.102 6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 143 1.686 1.762 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 143 2.548 3.130 7.475 1.00 0.00 H new ATOM 730 N THR A 144 7.264 1.920 9.377 1.00 0.00 N ATOM 731 CA THR A 144 8.227 1.747 10.456 1.00 0.00 C ATOM 732 C THR A 144 8.660 3.092 11.027 1.00 0.00 C ATOM 733 O THR A 144 8.702 3.276 12.244 1.00 0.00 O ATOM 734 CB THR A 144 9.475 0.980 9.978 1.00 0.00 C ATOM 735 OG1 THR A 144 9.096 -0.304 9.471 1.00 0.00 O ATOM 736 CG2 THR A 144 10.472 0.808 11.114 1.00 0.00 C ATOM 0 H THR A 144 7.617 1.669 8.453 1.00 0.00 H new ATOM 0 HA THR A 144 7.729 1.168 11.234 1.00 0.00 H new ATOM 0 HB THR A 144 9.948 1.558 9.185 1.00 0.00 H new ATOM 0 HG1 THR A 144 9.003 -0.257 8.497 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.345 0.264 10.753 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.781 1.788 11.479 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.006 0.249 11.926 1.00 0.00 H new ATOM 744 N GLU A 145 8.981 4.031 10.142 1.00 0.00 N ATOM 745 CA GLU A 145 9.411 5.360 10.560 1.00 0.00 C ATOM 746 C GLU A 145 8.247 6.144 11.159 1.00 0.00 C ATOM 747 O GLU A 145 8.448 7.137 11.858 1.00 0.00 O ATOM 748 CB GLU A 145 10.000 6.126 9.374 1.00 0.00 C ATOM 749 CG GLU A 145 11.172 5.420 8.715 1.00 0.00 C ATOM 750 CD GLU A 145 12.144 6.385 8.064 1.00 0.00 C ATOM 751 OE1 GLU A 145 12.617 7.309 8.757 1.00 0.00 O ATOM 752 OE2 GLU A 145 12.431 6.215 6.860 1.00 0.00 O ATOM 0 H GLU A 145 8.951 3.896 9.131 1.00 0.00 H new ATOM 0 HA GLU A 145 10.179 5.242 11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 145 9.218 6.285 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 145 10.323 7.110 9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 145 11.700 4.827 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.797 4.726 7.963 1.00 0.00 H new ATOM 759 N GLY A 146 7.029 5.691 10.879 1.00 0.00 N ATOM 760 CA GLY A 146 5.851 6.362 11.397 1.00 0.00 C ATOM 761 C GLY A 146 5.155 7.205 10.347 1.00 0.00 C ATOM 762 O GLY A 146 3.986 7.562 10.500 1.00 0.00 O ATOM 0 H GLY A 146 6.837 4.872 10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 146 5.153 5.619 11.783 1.00 0.00 H new ATOM 0 HA3 GLY A 146 6.137 6.996 12.236 1.00 0.00 H new ATOM 766 N THR A 147 5.874 7.526 9.275 1.00 0.00 N ATOM 767 CA THR A 147 5.319 8.334 8.197 1.00 0.00 C ATOM 768 C THR A 147 3.893 7.908 7.868 1.00 0.00 C ATOM 769 O THR A 147 3.094 8.706 7.375 1.00 0.00 O ATOM 770 CB THR A 147 6.179 8.236 6.923 1.00 0.00 C ATOM 771 OG1 THR A 147 7.552 8.495 7.237 1.00 0.00 O ATOM 772 CG2 THR A 147 5.700 9.224 5.869 1.00 0.00 C ATOM 0 H THR A 147 6.842 7.238 9.131 1.00 0.00 H new ATOM 0 HA THR A 147 5.315 9.367 8.546 1.00 0.00 H new ATOM 0 HB THR A 147 6.082 7.227 6.523 1.00 0.00 H new ATOM 0 HG1 THR A 147 8.092 8.429 6.422 1.00 0.00 H new ATOM 0 HG21 THR A 147 6.322 9.136 4.979 1.00 0.00 H new ATOM 0 HG22 THR A 147 4.664 9.006 5.610 1.00 0.00 H new ATOM 0 HG23 THR A 147 5.770 10.238 6.262 1.00 0.00 H new ATOM 780 N LEU A 148 3.579 6.647 8.143 1.00 0.00 N ATOM 781 CA LEU A 148 2.247 6.115 7.876 1.00 0.00 C ATOM 782 C LEU A 148 1.839 5.108 8.947 1.00 0.00 C ATOM 783 O LEU A 148 2.686 4.453 9.555 1.00 0.00 O ATOM 784 CB LEU A 148 2.207 5.454 6.497 1.00 0.00 C ATOM 785 CG LEU A 148 2.154 6.404 5.299 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.600 5.690 4.033 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.752 6.970 5.129 1.00 0.00 C ATOM 0 H LEU A 148 4.228 5.974 8.551 1.00 0.00 H new ATOM 0 HA LEU A 148 1.540 6.945 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.088 4.820 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 148 1.337 4.799 6.455 1.00 0.00 H new ATOM 0 HG LEU A 148 2.838 7.232 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.556 6.381 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.623 5.334 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 148 1.941 4.843 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.733 7.644 4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 148 0.048 6.154 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.469 7.518 6.028 1.00 0.00 H new ATOM 799 N THR A 149 0.534 4.987 9.172 1.00 0.00 N ATOM 800 CA THR A 149 0.013 4.060 10.168 1.00 0.00 C ATOM 801 C THR A 149 -1.004 3.106 9.552 1.00 0.00 C ATOM 802 O THR A 149 -1.956 3.534 8.900 1.00 0.00 O ATOM 803 CB THR A 149 -0.647 4.808 11.341 1.00 0.00 C ATOM 804 OG1 THR A 149 -1.241 3.872 12.248 1.00 0.00 O ATOM 805 CG2 THR A 149 -1.707 5.776 10.838 1.00 0.00 C ATOM 0 H THR A 149 -0.181 5.520 8.677 1.00 0.00 H new ATOM 0 HA THR A 149 0.862 3.489 10.543 1.00 0.00 H new ATOM 0 HB THR A 149 0.125 5.376 11.860 1.00 0.00 H new ATOM 0 HG1 THR A 149 -1.657 4.356 12.992 1.00 0.00 H new ATOM 0 HG21 THR A 149 -2.159 6.293 11.685 1.00 0.00 H new ATOM 0 HG22 THR A 149 -1.247 6.505 10.172 1.00 0.00 H new ATOM 0 HG23 THR A 149 -2.476 5.225 10.297 1.00 0.00 H new ATOM 813 N GLY A 150 -0.797 1.810 9.763 1.00 0.00 N ATOM 814 CA GLY A 150 -1.705 0.815 9.222 1.00 0.00 C ATOM 815 C GLY A 150 -1.456 -0.568 9.790 1.00 0.00 C ATOM 816 O GLY A 150 -0.492 -0.780 10.525 1.00 0.00 O ATOM 0 H GLY A 150 -0.016 1.431 10.299 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.732 1.112 9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.600 0.783 8.138 1.00 0.00 H new ATOM 820 N VAL A 151 -2.328 -1.512 9.450 1.00 0.00 N ATOM 821 CA VAL A 151 -2.198 -2.882 9.931 1.00 0.00 C ATOM 822 C VAL A 151 -2.192 -3.873 8.773 1.00 0.00 C ATOM 823 O VAL A 151 -2.834 -3.648 7.747 1.00 0.00 O ATOM 824 CB VAL A 151 -3.339 -3.247 10.899 1.00 0.00 C ATOM 825 CG1 VAL A 151 -3.307 -2.348 12.126 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.684 -3.155 10.195 1.00 0.00 C ATOM 0 H VAL A 151 -3.132 -1.353 8.843 1.00 0.00 H new ATOM 0 HA VAL A 151 -1.248 -2.943 10.462 1.00 0.00 H new ATOM 0 HB VAL A 151 -3.197 -4.276 11.229 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -4.120 -2.621 12.798 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -2.354 -2.469 12.641 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -3.423 -1.309 11.819 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.479 -3.416 10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -4.837 -2.138 9.835 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.701 -3.845 9.351 1.00 0.00 H new ATOM 836 N ILE A 152 -1.464 -4.971 8.945 1.00 0.00 N ATOM 837 CA ILE A 152 -1.376 -5.998 7.914 1.00 0.00 C ATOM 838 C ILE A 152 -2.012 -7.302 8.381 1.00 0.00 C ATOM 839 O ILE A 152 -1.759 -7.765 9.494 1.00 0.00 O ATOM 840 CB ILE A 152 0.086 -6.269 7.512 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.709 -5.014 6.896 1.00 0.00 C ATOM 842 CG2 ILE A 152 0.161 -7.436 6.539 1.00 0.00 C ATOM 843 CD1 ILE A 152 2.216 -5.084 6.777 1.00 0.00 C ATOM 0 H ILE A 152 -0.927 -5.172 9.788 1.00 0.00 H new ATOM 0 HA ILE A 152 -1.919 -5.621 7.047 1.00 0.00 H new ATOM 0 HB ILE A 152 0.651 -6.531 8.407 1.00 0.00 H new ATOM 0 HG12 ILE A 152 0.281 -4.854 5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.440 -4.149 7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 152 1.201 -7.615 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -0.249 -8.329 7.010 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.415 -7.201 5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.589 -4.161 6.333 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.654 -5.213 7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.492 -5.928 6.146 1.00 0.00 H new ATOM 855 N ASP A 153 -2.839 -7.891 7.524 1.00 0.00 N ATOM 856 CA ASP A 153 -3.510 -9.145 7.848 1.00 0.00 C ATOM 857 C ASP A 153 -2.722 -10.337 7.315 1.00 0.00 C ATOM 858 O ASP A 153 -1.752 -10.171 6.574 1.00 0.00 O ATOM 859 CB ASP A 153 -4.926 -9.154 7.270 1.00 0.00 C ATOM 860 CG ASP A 153 -5.948 -8.582 8.232 1.00 0.00 C ATOM 861 OD1 ASP A 153 -5.572 -7.721 9.056 1.00 0.00 O ATOM 862 OD2 ASP A 153 -7.125 -8.995 8.162 1.00 0.00 O ATOM 0 H ASP A 153 -3.061 -7.520 6.600 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.568 -9.228 8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -4.941 -8.579 6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -5.204 -10.176 7.014 1.00 0.00 H new ATOM 867 N ASP A 154 -3.144 -11.537 7.697 1.00 0.00 N ATOM 868 CA ASP A 154 -2.478 -12.758 7.257 1.00 0.00 C ATOM 869 C ASP A 154 -2.577 -12.915 5.743 1.00 0.00 C ATOM 870 O ASP A 154 -1.947 -13.797 5.158 1.00 0.00 O ATOM 871 CB ASP A 154 -3.089 -13.976 7.950 1.00 0.00 C ATOM 872 CG ASP A 154 -2.479 -15.280 7.475 1.00 0.00 C ATOM 873 OD1 ASP A 154 -2.828 -15.728 6.363 1.00 0.00 O ATOM 874 OD2 ASP A 154 -1.651 -15.851 8.215 1.00 0.00 O ATOM 0 H ASP A 154 -3.944 -11.691 8.310 1.00 0.00 H new ATOM 0 HA ASP A 154 -1.425 -12.686 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -2.950 -13.885 9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.163 -13.993 7.767 1.00 0.00 H new ATOM 879 N ARG A 155 -3.373 -12.056 5.114 1.00 0.00 N ATOM 880 CA ARG A 155 -3.556 -12.102 3.669 1.00 0.00 C ATOM 881 C ARG A 155 -2.725 -11.023 2.981 1.00 0.00 C ATOM 882 O ARG A 155 -3.031 -10.607 1.864 1.00 0.00 O ATOM 883 CB ARG A 155 -5.034 -11.926 3.315 1.00 0.00 C ATOM 884 CG ARG A 155 -5.929 -13.017 3.879 1.00 0.00 C ATOM 885 CD ARG A 155 -6.047 -14.192 2.921 1.00 0.00 C ATOM 886 NE ARG A 155 -6.259 -15.454 3.626 1.00 0.00 N ATOM 887 CZ ARG A 155 -6.261 -16.639 3.026 1.00 0.00 C ATOM 888 NH1 ARG A 155 -6.064 -16.724 1.718 1.00 0.00 N ATOM 889 NH2 ARG A 155 -6.461 -17.743 3.735 1.00 0.00 N ATOM 0 H ARG A 155 -3.901 -11.320 5.583 1.00 0.00 H new ATOM 0 HA ARG A 155 -3.218 -13.076 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -5.375 -10.960 3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -5.139 -11.906 2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -5.527 -13.362 4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -6.920 -12.609 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -6.875 -14.017 2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -5.141 -14.261 2.319 1.00 0.00 H new ATOM 0 HE ARG A 155 -6.414 -15.423 4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -5.910 -15.878 1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -6.066 -17.635 1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -6.613 -17.682 4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -6.462 -18.652 3.273 1.00 0.00 H new ATOM 903 N GLY A 156 -1.673 -10.572 3.657 1.00 0.00 N ATOM 904 CA GLY A 156 -0.815 -9.544 3.096 1.00 0.00 C ATOM 905 C GLY A 156 -1.596 -8.339 2.611 1.00 0.00 C ATOM 906 O GLY A 156 -1.142 -7.610 1.728 1.00 0.00 O ATOM 0 H GLY A 156 -1.399 -10.900 4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -0.093 -9.227 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -0.246 -9.963 2.266 1.00 0.00 H new ATOM 910 N LYS A 157 -2.775 -8.128 3.186 1.00 0.00 N ATOM 911 CA LYS A 157 -3.622 -7.004 2.807 1.00 0.00 C ATOM 912 C LYS A 157 -3.252 -5.753 3.599 1.00 0.00 C ATOM 913 O LYS A 157 -2.932 -5.830 4.785 1.00 0.00 O ATOM 914 CB LYS A 157 -5.095 -7.348 3.036 1.00 0.00 C ATOM 915 CG LYS A 157 -6.057 -6.384 2.364 1.00 0.00 C ATOM 916 CD LYS A 157 -6.417 -5.226 3.280 1.00 0.00 C ATOM 917 CE LYS A 157 -7.523 -4.368 2.687 1.00 0.00 C ATOM 918 NZ LYS A 157 -8.838 -5.067 2.708 1.00 0.00 N ATOM 0 H LYS A 157 -3.166 -8.722 3.917 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.463 -6.803 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -5.286 -8.355 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.294 -7.359 4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.607 -5.999 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -6.964 -6.916 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.735 -5.612 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.534 -4.612 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -7.598 -3.435 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -7.268 -4.105 1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -9.595 -4.389 2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -8.838 -5.827 1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -9.000 -5.474 3.651 1.00 0.00 H new ATOM 932 N PHE A 158 -3.300 -4.603 2.936 1.00 0.00 N ATOM 933 CA PHE A 158 -2.971 -3.336 3.578 1.00 0.00 C ATOM 934 C PHE A 158 -4.234 -2.535 3.880 1.00 0.00 C ATOM 935 O PHE A 158 -5.016 -2.226 2.980 1.00 0.00 O ATOM 936 CB PHE A 158 -2.034 -2.516 2.688 1.00 0.00 C ATOM 937 CG PHE A 158 -1.658 -1.187 3.277 1.00 0.00 C ATOM 938 CD1 PHE A 158 -1.133 -1.106 4.557 1.00 0.00 C ATOM 939 CD2 PHE A 158 -1.828 -0.019 2.551 1.00 0.00 C ATOM 940 CE1 PHE A 158 -0.787 0.116 5.102 1.00 0.00 C ATOM 941 CE2 PHE A 158 -1.482 1.206 3.091 1.00 0.00 C ATOM 942 CZ PHE A 158 -0.960 1.273 4.368 1.00 0.00 C ATOM 0 H PHE A 158 -3.564 -4.522 1.954 1.00 0.00 H new ATOM 0 HA PHE A 158 -2.467 -3.555 4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -1.127 -3.091 2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -2.513 -2.354 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.993 -2.008 5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -2.235 -0.066 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.381 0.166 6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -1.620 2.109 2.515 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.688 2.228 4.792 1.00 0.00 H new ATOM 952 N ILE A 159 -4.426 -2.202 5.152 1.00 0.00 N ATOM 953 CA ILE A 159 -5.594 -1.437 5.573 1.00 0.00 C ATOM 954 C ILE A 159 -5.182 -0.121 6.224 1.00 0.00 C ATOM 955 O ILE A 159 -4.582 -0.108 7.299 1.00 0.00 O ATOM 956 CB ILE A 159 -6.464 -2.236 6.561 1.00 0.00 C ATOM 957 CG1 ILE A 159 -6.800 -3.611 5.982 1.00 0.00 C ATOM 958 CG2 ILE A 159 -7.735 -1.467 6.888 1.00 0.00 C ATOM 959 CD1 ILE A 159 -7.222 -4.620 7.027 1.00 0.00 C ATOM 0 H ILE A 159 -3.788 -2.450 5.909 1.00 0.00 H new ATOM 0 HA ILE A 159 -6.177 -1.229 4.675 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.902 -2.380 7.484 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.600 -3.502 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -5.930 -3.994 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.340 -2.044 7.587 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -7.475 -0.509 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -8.302 -1.296 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -7.445 -5.572 6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.415 -4.758 7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -8.111 -4.258 7.544 1.00 0.00 H new ATOM 971 N TYR A 160 -5.511 0.986 5.567 1.00 0.00 N ATOM 972 CA TYR A 160 -5.176 2.308 6.081 1.00 0.00 C ATOM 973 C TYR A 160 -6.420 3.023 6.600 1.00 0.00 C ATOM 974 O TYR A 160 -7.518 2.845 6.070 1.00 0.00 O ATOM 975 CB TYR A 160 -4.510 3.149 4.990 1.00 0.00 C ATOM 976 CG TYR A 160 -3.644 4.265 5.530 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.387 4.002 6.059 1.00 0.00 C ATOM 978 CD2 TYR A 160 -4.084 5.583 5.509 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.594 5.019 6.554 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.297 6.606 6.000 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.053 6.319 6.522 1.00 0.00 C ATOM 982 OH TYR A 160 -1.265 7.335 7.012 1.00 0.00 O ATOM 0 H TYR A 160 -6.010 0.993 4.677 1.00 0.00 H new ATOM 0 HA TYR A 160 -4.479 2.181 6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -3.901 2.498 4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -5.282 3.577 4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -2.023 2.985 6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -5.058 5.811 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -0.620 4.797 6.964 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -3.654 7.625 5.975 1.00 0.00 H new ATOM 0 HH TYR A 160 -1.735 8.190 6.914 1.00 0.00 H new ATOM 992 N ILE A 161 -6.240 3.831 7.639 1.00 0.00 N ATOM 993 CA ILE A 161 -7.346 4.574 8.229 1.00 0.00 C ATOM 994 C ILE A 161 -7.084 6.075 8.189 1.00 0.00 C ATOM 995 O ILE A 161 -6.338 6.609 9.011 1.00 0.00 O ATOM 996 CB ILE A 161 -7.597 4.146 9.688 1.00 0.00 C ATOM 997 CG1 ILE A 161 -7.775 2.629 9.774 1.00 0.00 C ATOM 998 CG2 ILE A 161 -8.818 4.861 10.247 1.00 0.00 C ATOM 999 CD1 ILE A 161 -7.603 2.079 11.173 1.00 0.00 C ATOM 0 H ILE A 161 -5.338 3.988 8.090 1.00 0.00 H new ATOM 0 HA ILE A 161 -8.231 4.347 7.635 1.00 0.00 H new ATOM 0 HB ILE A 161 -6.731 4.426 10.287 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -8.768 2.366 9.409 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -7.054 2.149 9.112 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -8.982 4.548 11.278 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -8.655 5.938 10.216 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -9.693 4.609 9.648 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.743 0.998 11.159 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -6.601 2.310 11.534 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -8.341 2.532 11.835 1.00 0.00 H new