USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=10 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 111 ASN : amide:sc= -0.105 K(o=-2.9,f=-4.9!) USER MOD Set 1.2: A 114 LYS NZ :NH3+ -135:sc= -2.77! (180deg=-6.95!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 152:sc= -2.18! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= -0.0453 X(o=-0.045,f=0) USER MOD Single : A 128 MET CE :methyl -150:sc= -0.0663 (180deg=-0.447) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 137 ASN : amide:sc= 0.252 K(o=0.25,f=-0.28) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.00171 USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 TYR OH : rot 146:sc= -2.92! USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.573 10.370 -6.054 1.00 0.00 N ATOM 67 CA PHE A 105 7.845 9.111 -6.155 1.00 0.00 C ATOM 68 C PHE A 105 7.288 8.693 -4.798 1.00 0.00 C ATOM 69 O PHE A 105 6.201 8.121 -4.709 1.00 0.00 O ATOM 70 CB PHE A 105 8.758 8.012 -6.704 1.00 0.00 C ATOM 71 CG PHE A 105 8.273 6.623 -6.402 1.00 0.00 C ATOM 72 CD1 PHE A 105 7.101 6.146 -6.966 1.00 0.00 C ATOM 73 CD2 PHE A 105 8.990 5.794 -5.554 1.00 0.00 C ATOM 74 CE1 PHE A 105 6.652 4.869 -6.688 1.00 0.00 C ATOM 75 CE2 PHE A 105 8.546 4.515 -5.274 1.00 0.00 C ATOM 76 CZ PHE A 105 7.376 4.052 -5.842 1.00 0.00 C ATOM 0 HA PHE A 105 7.010 9.258 -6.841 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.847 8.130 -7.784 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.757 8.138 -6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.532 6.779 -7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.906 6.151 -5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.735 4.510 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 105 9.114 3.879 -4.612 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.028 3.053 -5.625 1.00 0.00 H new ATOM 86 N LEU A 106 8.041 8.983 -3.742 1.00 0.00 N ATOM 87 CA LEU A 106 7.624 8.638 -2.387 1.00 0.00 C ATOM 88 C LEU A 106 6.436 9.489 -1.949 1.00 0.00 C ATOM 89 O LEU A 106 5.446 8.974 -1.430 1.00 0.00 O ATOM 90 CB LEU A 106 8.787 8.824 -1.411 1.00 0.00 C ATOM 91 CG LEU A 106 10.091 8.116 -1.778 1.00 0.00 C ATOM 92 CD1 LEU A 106 10.968 9.020 -2.631 1.00 0.00 C ATOM 93 CD2 LEU A 106 10.833 7.679 -0.523 1.00 0.00 C ATOM 0 H LEU A 106 8.943 9.456 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 106 7.319 7.592 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.990 9.891 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.470 8.473 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 106 9.848 7.227 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.892 8.499 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.438 9.282 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.203 9.928 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.759 7.177 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.065 8.553 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.208 6.994 0.049 1.00 0.00 H new ATOM 105 N THR A 107 6.541 10.797 -2.165 1.00 0.00 N ATOM 106 CA THR A 107 5.476 11.720 -1.794 1.00 0.00 C ATOM 107 C THR A 107 4.208 11.447 -2.594 1.00 0.00 C ATOM 108 O THR A 107 3.112 11.392 -2.037 1.00 0.00 O ATOM 109 CB THR A 107 5.901 13.185 -2.012 1.00 0.00 C ATOM 110 OG1 THR A 107 7.079 13.472 -1.250 1.00 0.00 O ATOM 111 CG2 THR A 107 4.786 14.137 -1.609 1.00 0.00 C ATOM 0 H THR A 107 7.353 11.240 -2.595 1.00 0.00 H new ATOM 0 HA THR A 107 5.275 11.561 -0.735 1.00 0.00 H new ATOM 0 HB THR A 107 6.112 13.325 -3.072 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.344 14.404 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.109 15.165 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.900 13.935 -2.211 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.549 13.994 -0.555 1.00 0.00 H new ATOM 119 N GLU A 108 4.365 11.274 -3.903 1.00 0.00 N ATOM 120 CA GLU A 108 3.230 11.006 -4.779 1.00 0.00 C ATOM 121 C GLU A 108 2.634 9.631 -4.492 1.00 0.00 C ATOM 122 O GLU A 108 1.423 9.434 -4.590 1.00 0.00 O ATOM 123 CB GLU A 108 3.658 11.094 -6.245 1.00 0.00 C ATOM 124 CG GLU A 108 3.900 12.515 -6.725 1.00 0.00 C ATOM 125 CD GLU A 108 4.657 12.566 -8.038 1.00 0.00 C ATOM 126 OE1 GLU A 108 5.899 12.445 -8.011 1.00 0.00 O ATOM 127 OE2 GLU A 108 4.007 12.728 -9.092 1.00 0.00 O ATOM 0 H GLU A 108 5.266 11.315 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 108 2.467 11.760 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.569 10.513 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.889 10.635 -6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.943 13.023 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.460 13.061 -5.966 1.00 0.00 H new ATOM 134 N PHE A 109 3.495 8.682 -4.139 1.00 0.00 N ATOM 135 CA PHE A 109 3.055 7.324 -3.839 1.00 0.00 C ATOM 136 C PHE A 109 2.142 7.305 -2.617 1.00 0.00 C ATOM 137 O PHE A 109 1.081 6.680 -2.631 1.00 0.00 O ATOM 138 CB PHE A 109 4.263 6.415 -3.602 1.00 0.00 C ATOM 139 CG PHE A 109 3.923 5.143 -2.879 1.00 0.00 C ATOM 140 CD1 PHE A 109 3.862 5.112 -1.495 1.00 0.00 C ATOM 141 CD2 PHE A 109 3.664 3.979 -3.584 1.00 0.00 C ATOM 142 CE1 PHE A 109 3.549 3.943 -0.828 1.00 0.00 C ATOM 143 CE2 PHE A 109 3.350 2.807 -2.922 1.00 0.00 C ATOM 144 CZ PHE A 109 3.294 2.789 -1.542 1.00 0.00 C ATOM 0 H PHE A 109 4.501 8.828 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 109 2.492 6.953 -4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.716 6.168 -4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.012 6.961 -3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.061 6.011 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.708 3.987 -4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.504 3.932 0.251 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.149 1.906 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.051 1.874 -1.022 1.00 0.00 H new ATOM 154 N ILE A 110 2.562 7.994 -1.561 1.00 0.00 N ATOM 155 CA ILE A 110 1.783 8.057 -0.331 1.00 0.00 C ATOM 156 C ILE A 110 0.482 8.824 -0.543 1.00 0.00 C ATOM 157 O ILE A 110 -0.572 8.428 -0.048 1.00 0.00 O ATOM 158 CB ILE A 110 2.579 8.723 0.806 1.00 0.00 C ATOM 159 CG1 ILE A 110 3.922 8.016 1.001 1.00 0.00 C ATOM 160 CG2 ILE A 110 1.774 8.707 2.097 1.00 0.00 C ATOM 161 CD1 ILE A 110 4.947 8.855 1.731 1.00 0.00 C ATOM 0 H ILE A 110 3.438 8.516 -1.533 1.00 0.00 H new ATOM 0 HA ILE A 110 1.554 7.029 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 110 2.772 9.761 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.760 7.092 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.321 7.737 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.350 9.181 2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 110 0.841 9.251 1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.553 7.677 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.874 8.290 1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.139 9.768 1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.568 9.113 2.720 1.00 0.00 H new ATOM 173 N ASN A 111 0.565 9.924 -1.284 1.00 0.00 N ATOM 174 CA ASN A 111 -0.606 10.747 -1.564 1.00 0.00 C ATOM 175 C ASN A 111 -1.734 9.906 -2.154 1.00 0.00 C ATOM 176 O ASN A 111 -2.912 10.223 -1.986 1.00 0.00 O ATOM 177 CB ASN A 111 -0.242 11.879 -2.527 1.00 0.00 C ATOM 178 CG ASN A 111 0.353 13.077 -1.812 1.00 0.00 C ATOM 179 OD1 ASN A 111 0.073 13.315 -0.637 1.00 0.00 O ATOM 180 ND2 ASN A 111 1.178 13.839 -2.521 1.00 0.00 N ATOM 0 H ASN A 111 1.431 10.266 -1.701 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.950 11.176 -0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.470 11.510 -3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.134 12.190 -3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.608 14.659 -2.094 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.382 13.604 -3.492 1.00 0.00 H new ATOM 187 N TYR A 112 -1.365 8.833 -2.844 1.00 0.00 N ATOM 188 CA TYR A 112 -2.345 7.946 -3.460 1.00 0.00 C ATOM 189 C TYR A 112 -3.008 7.055 -2.414 1.00 0.00 C ATOM 190 O TYR A 112 -4.187 6.717 -2.528 1.00 0.00 O ATOM 191 CB TYR A 112 -1.679 7.083 -4.533 1.00 0.00 C ATOM 192 CG TYR A 112 -2.636 6.148 -5.238 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.778 6.632 -5.864 1.00 0.00 C ATOM 194 CD2 TYR A 112 -2.397 4.780 -5.278 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.655 5.781 -6.507 1.00 0.00 C ATOM 196 CE2 TYR A 112 -3.268 3.921 -5.921 1.00 0.00 C ATOM 197 CZ TYR A 112 -4.395 4.426 -6.533 1.00 0.00 C ATOM 198 OH TYR A 112 -5.266 3.575 -7.175 1.00 0.00 O ATOM 0 H TYR A 112 -0.394 8.556 -2.991 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.114 8.563 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.210 7.734 -5.271 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.883 6.496 -4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.983 7.692 -5.847 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.515 4.381 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.539 6.174 -6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.067 2.860 -5.944 1.00 0.00 H new ATOM 0 HH TYR A 112 -4.937 2.655 -7.102 1.00 0.00 H new ATOM 208 N ILE A 113 -2.242 6.680 -1.396 1.00 0.00 N ATOM 209 CA ILE A 113 -2.754 5.830 -0.328 1.00 0.00 C ATOM 210 C ILE A 113 -3.851 6.538 0.460 1.00 0.00 C ATOM 211 O ILE A 113 -4.876 5.942 0.792 1.00 0.00 O ATOM 212 CB ILE A 113 -1.634 5.406 0.640 1.00 0.00 C ATOM 213 CG1 ILE A 113 -0.647 4.472 -0.064 1.00 0.00 C ATOM 214 CG2 ILE A 113 -2.224 4.731 1.870 1.00 0.00 C ATOM 215 CD1 ILE A 113 0.652 4.288 0.688 1.00 0.00 C ATOM 0 H ILE A 113 -1.265 6.951 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.168 4.941 -0.803 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.096 6.298 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.117 3.499 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.430 4.867 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.420 4.437 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -2.891 5.425 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -2.784 3.847 1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.303 3.614 0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.144 5.253 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.447 3.864 1.671 1.00 0.00 H new ATOM 227 N LYS A 114 -3.629 7.814 0.755 1.00 0.00 N ATOM 228 CA LYS A 114 -4.599 8.607 1.502 1.00 0.00 C ATOM 229 C LYS A 114 -5.972 8.553 0.838 1.00 0.00 C ATOM 230 O LYS A 114 -6.979 8.280 1.492 1.00 0.00 O ATOM 231 CB LYS A 114 -4.129 10.059 1.608 1.00 0.00 C ATOM 232 CG LYS A 114 -3.137 10.297 2.734 1.00 0.00 C ATOM 233 CD LYS A 114 -1.705 10.102 2.266 1.00 0.00 C ATOM 234 CE LYS A 114 -0.739 10.980 3.046 1.00 0.00 C ATOM 235 NZ LYS A 114 0.443 11.368 2.229 1.00 0.00 N ATOM 0 H LYS A 114 -2.786 8.322 0.488 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.682 8.185 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.671 10.354 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.996 10.703 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.260 11.309 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.348 9.614 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.422 9.056 2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.633 10.335 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.257 11.878 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.405 10.449 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.309 11.252 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.496 10.762 1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.351 12.362 1.936 1.00 0.00 H new ATOM 249 N LYS A 115 -6.005 8.813 -0.464 1.00 0.00 N ATOM 250 CA LYS A 115 -7.253 8.792 -1.218 1.00 0.00 C ATOM 251 C LYS A 115 -7.753 7.363 -1.401 1.00 0.00 C ATOM 252 O LYS A 115 -8.947 7.092 -1.272 1.00 0.00 O ATOM 253 CB LYS A 115 -7.059 9.455 -2.583 1.00 0.00 C ATOM 254 CG LYS A 115 -6.379 10.811 -2.511 1.00 0.00 C ATOM 255 CD LYS A 115 -6.445 11.540 -3.842 1.00 0.00 C ATOM 256 CE LYS A 115 -7.842 12.075 -4.116 1.00 0.00 C ATOM 257 NZ LYS A 115 -8.024 13.452 -3.577 1.00 0.00 N ATOM 0 H LYS A 115 -5.181 9.041 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.000 9.350 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.467 8.795 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -8.031 9.571 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.854 11.417 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.337 10.681 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.732 12.364 -3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.150 10.863 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.025 12.078 -5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.580 11.409 -3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.989 13.781 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.874 13.445 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.337 14.093 -4.022 1.00 0.00 H new ATOM 271 N SER A 116 -6.833 6.452 -1.700 1.00 0.00 N ATOM 272 CA SER A 116 -7.182 5.050 -1.903 1.00 0.00 C ATOM 273 C SER A 116 -7.590 4.396 -0.586 1.00 0.00 C ATOM 274 O SER A 116 -6.749 4.116 0.268 1.00 0.00 O ATOM 275 CB SER A 116 -6.003 4.293 -2.518 1.00 0.00 C ATOM 276 OG SER A 116 -6.441 3.121 -3.183 1.00 0.00 O ATOM 0 H SER A 116 -5.840 6.659 -1.807 1.00 0.00 H new ATOM 0 HA SER A 116 -8.029 5.007 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.479 4.940 -3.222 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.290 4.027 -1.737 1.00 0.00 H new ATOM 0 HG SER A 116 -5.819 2.905 -3.909 1.00 0.00 H new ATOM 282 N LYS A 117 -8.887 4.155 -0.430 1.00 0.00 N ATOM 283 CA LYS A 117 -9.410 3.533 0.781 1.00 0.00 C ATOM 284 C LYS A 117 -8.789 2.157 0.997 1.00 0.00 C ATOM 285 O LYS A 117 -8.334 1.836 2.095 1.00 0.00 O ATOM 286 CB LYS A 117 -10.933 3.409 0.698 1.00 0.00 C ATOM 287 CG LYS A 117 -11.621 3.456 2.051 1.00 0.00 C ATOM 288 CD LYS A 117 -13.128 3.319 1.916 1.00 0.00 C ATOM 289 CE LYS A 117 -13.553 1.859 1.864 1.00 0.00 C ATOM 290 NZ LYS A 117 -15.035 1.712 1.875 1.00 0.00 N ATOM 0 H LYS A 117 -9.596 4.381 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.149 4.168 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -11.321 4.214 0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.186 2.471 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -11.237 2.655 2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -11.383 4.396 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.616 3.811 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -13.461 3.828 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -13.149 1.395 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.129 1.327 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -15.284 0.703 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -15.419 2.132 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -15.438 2.198 1.049 1.00 0.00 H new ATOM 304 N VAL A 118 -8.771 1.348 -0.058 1.00 0.00 N ATOM 305 CA VAL A 118 -8.203 0.007 0.017 1.00 0.00 C ATOM 306 C VAL A 118 -7.183 -0.220 -1.094 1.00 0.00 C ATOM 307 O VAL A 118 -7.528 -0.226 -2.276 1.00 0.00 O ATOM 308 CB VAL A 118 -9.297 -1.072 -0.078 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.682 -2.462 -0.031 1.00 0.00 C ATOM 310 CG2 VAL A 118 -10.318 -0.894 1.036 1.00 0.00 C ATOM 0 H VAL A 118 -9.143 1.598 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.707 -0.073 0.984 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.811 -0.961 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.471 -3.211 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.993 -2.583 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.141 -2.589 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.084 -1.665 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.821 -0.978 2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.782 0.089 0.951 1.00 0.00 H new ATOM 320 N VAL A 119 -5.926 -0.406 -0.706 1.00 0.00 N ATOM 321 CA VAL A 119 -4.855 -0.635 -1.669 1.00 0.00 C ATOM 322 C VAL A 119 -4.229 -2.012 -1.477 1.00 0.00 C ATOM 323 O VAL A 119 -3.874 -2.395 -0.361 1.00 0.00 O ATOM 324 CB VAL A 119 -3.756 0.437 -1.552 1.00 0.00 C ATOM 325 CG1 VAL A 119 -2.804 0.358 -2.736 1.00 0.00 C ATOM 326 CG2 VAL A 119 -4.373 1.823 -1.446 1.00 0.00 C ATOM 0 H VAL A 119 -5.624 -0.403 0.268 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.304 -0.578 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.184 0.248 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.034 1.123 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.336 -0.626 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.359 0.520 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.582 2.568 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.970 2.024 -2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -5.010 1.871 -0.563 1.00 0.00 H new ATOM 336 N LEU A 120 -4.095 -2.753 -2.572 1.00 0.00 N ATOM 337 CA LEU A 120 -3.510 -4.088 -2.525 1.00 0.00 C ATOM 338 C LEU A 120 -2.044 -4.056 -2.944 1.00 0.00 C ATOM 339 O LEU A 120 -1.659 -3.302 -3.839 1.00 0.00 O ATOM 340 CB LEU A 120 -4.291 -5.040 -3.433 1.00 0.00 C ATOM 341 CG LEU A 120 -3.926 -6.521 -3.325 1.00 0.00 C ATOM 342 CD1 LEU A 120 -4.416 -7.097 -2.005 1.00 0.00 C ATOM 343 CD2 LEU A 120 -4.507 -7.300 -4.496 1.00 0.00 C ATOM 0 H LEU A 120 -4.384 -2.452 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.567 -4.447 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -5.353 -4.931 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.146 -4.725 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.840 -6.611 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.147 -8.152 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.953 -6.558 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -5.499 -6.995 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.237 -8.352 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.593 -7.202 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.108 -6.905 -5.430 1.00 0.00 H new ATOM 355 N LEU A 121 -1.230 -4.881 -2.294 1.00 0.00 N ATOM 356 CA LEU A 121 0.194 -4.949 -2.601 1.00 0.00 C ATOM 357 C LEU A 121 0.424 -5.508 -4.001 1.00 0.00 C ATOM 358 O LEU A 121 1.268 -5.012 -4.747 1.00 0.00 O ATOM 359 CB LEU A 121 0.918 -5.815 -1.568 1.00 0.00 C ATOM 360 CG LEU A 121 0.555 -5.558 -0.105 1.00 0.00 C ATOM 361 CD1 LEU A 121 0.934 -6.753 0.756 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.239 -4.296 0.401 1.00 0.00 C ATOM 0 H LEU A 121 -1.532 -5.512 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 121 0.597 -3.937 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.714 -6.862 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.991 -5.666 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.523 -5.414 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.668 -6.552 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 121 0.398 -7.636 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.007 -6.928 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.969 -4.129 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.320 -4.410 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 121 0.919 -3.443 -0.198 1.00 0.00 H new ATOM 374 N GLU A 122 -0.334 -6.543 -4.351 1.00 0.00 N ATOM 375 CA GLU A 122 -0.213 -7.168 -5.663 1.00 0.00 C ATOM 376 C GLU A 122 -0.625 -6.199 -6.767 1.00 0.00 C ATOM 377 O GLU A 122 0.033 -6.108 -7.804 1.00 0.00 O ATOM 378 CB GLU A 122 -1.074 -8.431 -5.731 1.00 0.00 C ATOM 379 CG GLU A 122 -0.633 -9.521 -4.768 1.00 0.00 C ATOM 380 CD GLU A 122 -1.200 -10.881 -5.127 1.00 0.00 C ATOM 381 OE1 GLU A 122 -0.926 -11.362 -6.246 1.00 0.00 O ATOM 382 OE2 GLU A 122 -1.917 -11.464 -4.287 1.00 0.00 O ATOM 0 H GLU A 122 -1.037 -6.966 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 122 0.832 -7.440 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.110 -8.166 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.048 -8.824 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.456 -9.576 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -0.945 -9.256 -3.758 1.00 0.00 H new ATOM 389 N ASP A 123 -1.717 -5.478 -6.538 1.00 0.00 N ATOM 390 CA ASP A 123 -2.216 -4.516 -7.512 1.00 0.00 C ATOM 391 C ASP A 123 -1.353 -3.258 -7.525 1.00 0.00 C ATOM 392 O ASP A 123 -1.143 -2.647 -8.574 1.00 0.00 O ATOM 393 CB ASP A 123 -3.668 -4.149 -7.201 1.00 0.00 C ATOM 394 CG ASP A 123 -4.330 -3.392 -8.335 1.00 0.00 C ATOM 395 OD1 ASP A 123 -4.868 -4.047 -9.251 1.00 0.00 O ATOM 396 OD2 ASP A 123 -4.310 -2.143 -8.306 1.00 0.00 O ATOM 0 H ASP A 123 -2.273 -5.542 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.169 -4.978 -8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.233 -5.058 -6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.700 -3.543 -6.296 1.00 0.00 H new ATOM 401 N LEU A 124 -0.856 -2.876 -6.354 1.00 0.00 N ATOM 402 CA LEU A 124 -0.016 -1.689 -6.230 1.00 0.00 C ATOM 403 C LEU A 124 1.268 -1.845 -7.039 1.00 0.00 C ATOM 404 O LEU A 124 1.699 -0.917 -7.723 1.00 0.00 O ATOM 405 CB LEU A 124 0.321 -1.430 -4.761 1.00 0.00 C ATOM 406 CG LEU A 124 1.329 -0.312 -4.491 1.00 0.00 C ATOM 407 CD1 LEU A 124 0.686 1.049 -4.706 1.00 0.00 C ATOM 408 CD2 LEU A 124 1.884 -0.425 -3.078 1.00 0.00 C ATOM 0 H LEU A 124 -1.020 -3.370 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.571 -0.838 -6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.603 -1.194 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.708 -2.353 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 124 2.155 -0.415 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.418 1.832 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.338 1.128 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.159 1.163 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.600 0.378 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.068 -0.347 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.382 -1.387 -2.959 1.00 0.00 H new ATOM 420 N ALA A 125 1.874 -3.025 -6.956 1.00 0.00 N ATOM 421 CA ALA A 125 3.107 -3.303 -7.683 1.00 0.00 C ATOM 422 C ALA A 125 2.878 -3.255 -9.190 1.00 0.00 C ATOM 423 O ALA A 125 3.669 -2.671 -9.930 1.00 0.00 O ATOM 424 CB ALA A 125 3.665 -4.658 -7.275 1.00 0.00 C ATOM 0 H ALA A 125 1.531 -3.803 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 125 3.833 -2.531 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.585 -4.853 -7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 125 3.875 -4.658 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.935 -5.435 -7.502 1.00 0.00 H new ATOM 430 N PHE A 126 1.791 -3.874 -9.639 1.00 0.00 N ATOM 431 CA PHE A 126 1.459 -3.903 -11.058 1.00 0.00 C ATOM 432 C PHE A 126 1.038 -2.521 -11.547 1.00 0.00 C ATOM 433 O PHE A 126 1.382 -2.112 -12.656 1.00 0.00 O ATOM 434 CB PHE A 126 0.339 -4.913 -11.321 1.00 0.00 C ATOM 435 CG PHE A 126 -0.273 -4.787 -12.687 1.00 0.00 C ATOM 436 CD1 PHE A 126 -1.037 -3.679 -13.019 1.00 0.00 C ATOM 437 CD2 PHE A 126 -0.083 -5.775 -13.640 1.00 0.00 C ATOM 438 CE1 PHE A 126 -1.602 -3.561 -14.275 1.00 0.00 C ATOM 439 CE2 PHE A 126 -0.645 -5.662 -14.898 1.00 0.00 C ATOM 440 CZ PHE A 126 -1.405 -4.553 -15.216 1.00 0.00 C ATOM 0 H PHE A 126 1.125 -4.362 -9.040 1.00 0.00 H new ATOM 0 HA PHE A 126 2.350 -4.207 -11.608 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.734 -5.922 -11.200 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.440 -4.784 -10.569 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -1.193 -2.899 -12.288 1.00 0.00 H new ATOM 0 HD2 PHE A 126 0.511 -6.644 -13.397 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -2.197 -2.694 -14.521 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -0.490 -6.440 -15.631 1.00 0.00 H new ATOM 0 HZ PHE A 126 -1.844 -4.462 -16.198 1.00 0.00 H new ATOM 450 N GLN A 127 0.291 -1.807 -10.711 1.00 0.00 N ATOM 451 CA GLN A 127 -0.179 -0.471 -11.059 1.00 0.00 C ATOM 452 C GLN A 127 0.991 0.444 -11.405 1.00 0.00 C ATOM 453 O GLN A 127 0.944 1.181 -12.390 1.00 0.00 O ATOM 454 CB GLN A 127 -0.984 0.127 -9.903 1.00 0.00 C ATOM 455 CG GLN A 127 -1.763 1.375 -10.285 1.00 0.00 C ATOM 456 CD GLN A 127 -3.154 1.059 -10.799 1.00 0.00 C ATOM 457 OE1 GLN A 127 -4.136 1.151 -10.062 1.00 0.00 O ATOM 458 NE2 GLN A 127 -3.245 0.685 -12.070 1.00 0.00 N ATOM 0 H GLN A 127 -0.002 -2.131 -9.789 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.822 -0.556 -11.935 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.679 -0.624 -9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.305 0.369 -9.085 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -1.840 2.030 -9.417 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -1.213 1.923 -11.050 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -2.405 0.622 -12.645 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -4.155 0.460 -12.472 1.00 0.00 H new ATOM 467 N MET A 128 2.039 0.392 -10.590 1.00 0.00 N ATOM 468 CA MET A 128 3.222 1.216 -10.811 1.00 0.00 C ATOM 469 C MET A 128 4.300 0.431 -11.552 1.00 0.00 C ATOM 470 O MET A 128 5.239 1.010 -12.097 1.00 0.00 O ATOM 471 CB MET A 128 3.771 1.726 -9.478 1.00 0.00 C ATOM 472 CG MET A 128 2.781 2.576 -8.698 1.00 0.00 C ATOM 473 SD MET A 128 3.472 3.211 -7.158 1.00 0.00 S ATOM 474 CE MET A 128 2.418 4.631 -6.875 1.00 0.00 C ATOM 0 H MET A 128 2.093 -0.212 -9.770 1.00 0.00 H new ATOM 0 HA MET A 128 2.931 2.068 -11.425 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.066 0.874 -8.866 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.671 2.311 -9.665 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.458 3.412 -9.319 1.00 0.00 H new ATOM 0 HG3 MET A 128 1.894 1.982 -8.476 1.00 0.00 H new ATOM 0 HE1 MET A 128 2.977 5.398 -6.338 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.081 5.030 -7.832 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.554 4.330 -6.283 1.00 0.00 H new ATOM 484 N GLY A 129 4.158 -0.891 -11.568 1.00 0.00 N ATOM 485 CA GLY A 129 5.128 -1.733 -12.244 1.00 0.00 C ATOM 486 C GLY A 129 6.183 -2.274 -11.301 1.00 0.00 C ATOM 487 O GLY A 129 6.742 -3.348 -11.532 1.00 0.00 O ATOM 0 H GLY A 129 3.389 -1.394 -11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.611 -2.565 -12.722 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.612 -1.161 -13.036 1.00 0.00 H new ATOM 491 N LEU A 130 6.460 -1.530 -10.235 1.00 0.00 N ATOM 492 CA LEU A 130 7.458 -1.941 -9.254 1.00 0.00 C ATOM 493 C LEU A 130 7.196 -3.365 -8.774 1.00 0.00 C ATOM 494 O LEU A 130 6.047 -3.800 -8.688 1.00 0.00 O ATOM 495 CB LEU A 130 7.455 -0.981 -8.063 1.00 0.00 C ATOM 496 CG LEU A 130 8.021 0.415 -8.326 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.786 1.321 -7.126 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.505 0.337 -8.654 1.00 0.00 C ATOM 0 H LEU A 130 6.007 -0.640 -10.029 1.00 0.00 H new ATOM 0 HA LEU A 130 8.436 -1.913 -9.734 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.429 -0.875 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.025 -1.436 -7.253 1.00 0.00 H new ATOM 0 HG LEU A 130 7.502 0.840 -9.185 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.195 2.310 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.716 1.403 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 130 8.278 0.899 -6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.890 1.340 -8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 130 10.040 -0.109 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.649 -0.276 -9.544 1.00 0.00 H new ATOM 510 N ARG A 131 8.268 -4.085 -8.460 1.00 0.00 N ATOM 511 CA ARG A 131 8.153 -5.459 -7.987 1.00 0.00 C ATOM 512 C ARG A 131 7.269 -5.536 -6.746 1.00 0.00 C ATOM 513 O ARG A 131 7.158 -4.571 -5.988 1.00 0.00 O ATOM 514 CB ARG A 131 9.538 -6.031 -7.676 1.00 0.00 C ATOM 515 CG ARG A 131 10.393 -6.261 -8.911 1.00 0.00 C ATOM 516 CD ARG A 131 11.043 -4.971 -9.387 1.00 0.00 C ATOM 517 NE ARG A 131 12.156 -5.223 -10.298 1.00 0.00 N ATOM 518 CZ ARG A 131 12.923 -4.264 -10.804 1.00 0.00 C ATOM 519 NH1 ARG A 131 12.699 -2.996 -10.489 1.00 0.00 N ATOM 520 NH2 ARG A 131 13.918 -4.572 -11.626 1.00 0.00 N ATOM 0 H ARG A 131 9.226 -3.740 -8.525 1.00 0.00 H new ATOM 0 HA ARG A 131 7.691 -6.051 -8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 131 10.061 -5.350 -7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 131 9.421 -6.975 -7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 131 11.165 -6.998 -8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 131 9.777 -6.675 -9.709 1.00 0.00 H new ATOM 0 HD2 ARG A 131 10.298 -4.353 -9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 131 11.400 -4.406 -8.526 1.00 0.00 H new ATOM 0 HE ARG A 131 12.355 -6.188 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 131 11.936 -2.755 -9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 131 13.290 -2.262 -10.879 1.00 0.00 H new ATOM 0 HH21 ARG A 131 14.095 -5.546 -11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 131 14.506 -3.834 -12.014 1.00 0.00 H new ATOM 534 N THR A 132 6.640 -6.689 -6.544 1.00 0.00 N ATOM 535 CA THR A 132 5.764 -6.892 -5.397 1.00 0.00 C ATOM 536 C THR A 132 6.512 -6.669 -4.088 1.00 0.00 C ATOM 537 O THR A 132 6.039 -5.952 -3.206 1.00 0.00 O ATOM 538 CB THR A 132 5.159 -8.308 -5.395 1.00 0.00 C ATOM 539 OG1 THR A 132 4.578 -8.595 -6.671 1.00 0.00 O ATOM 540 CG2 THR A 132 4.103 -8.444 -4.308 1.00 0.00 C ATOM 0 H THR A 132 6.721 -7.497 -7.161 1.00 0.00 H new ATOM 0 HA THR A 132 4.959 -6.162 -5.481 1.00 0.00 H new ATOM 0 HB THR A 132 5.959 -9.020 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 132 4.197 -9.498 -6.661 1.00 0.00 H new ATOM 0 HG21 THR A 132 3.690 -9.453 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 132 4.556 -8.255 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.305 -7.722 -4.483 1.00 0.00 H new ATOM 548 N GLN A 133 7.683 -7.287 -3.968 1.00 0.00 N ATOM 549 CA GLN A 133 8.496 -7.155 -2.765 1.00 0.00 C ATOM 550 C GLN A 133 9.037 -5.736 -2.626 1.00 0.00 C ATOM 551 O GLN A 133 8.973 -5.139 -1.551 1.00 0.00 O ATOM 552 CB GLN A 133 9.655 -8.154 -2.795 1.00 0.00 C ATOM 553 CG GLN A 133 10.419 -8.238 -1.484 1.00 0.00 C ATOM 554 CD GLN A 133 9.806 -9.228 -0.513 1.00 0.00 C ATOM 555 OE1 GLN A 133 10.301 -10.345 -0.352 1.00 0.00 O ATOM 556 NE2 GLN A 133 8.723 -8.824 0.140 1.00 0.00 N ATOM 0 H GLN A 133 8.089 -7.883 -4.689 1.00 0.00 H new ATOM 0 HA GLN A 133 7.863 -7.369 -1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.266 -9.142 -3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.345 -7.874 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.451 -8.525 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.448 -7.252 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 133 8.347 -7.890 -0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.267 -9.447 0.806 1.00 0.00 H new ATOM 565 N ASP A 134 9.569 -5.201 -3.720 1.00 0.00 N ATOM 566 CA ASP A 134 10.121 -3.851 -3.720 1.00 0.00 C ATOM 567 C ASP A 134 9.065 -2.833 -3.302 1.00 0.00 C ATOM 568 O ASP A 134 9.335 -1.936 -2.504 1.00 0.00 O ATOM 569 CB ASP A 134 10.665 -3.500 -5.106 1.00 0.00 C ATOM 570 CG ASP A 134 11.605 -2.311 -5.074 1.00 0.00 C ATOM 571 OD1 ASP A 134 12.792 -2.502 -4.737 1.00 0.00 O ATOM 572 OD2 ASP A 134 11.153 -1.190 -5.388 1.00 0.00 O ATOM 0 H ASP A 134 9.630 -5.681 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 134 10.937 -3.818 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.189 -4.363 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 134 9.833 -3.284 -5.776 1.00 0.00 H new ATOM 577 N ALA A 135 7.861 -2.978 -3.847 1.00 0.00 N ATOM 578 CA ALA A 135 6.764 -2.072 -3.529 1.00 0.00 C ATOM 579 C ALA A 135 6.387 -2.163 -2.055 1.00 0.00 C ATOM 580 O ALA A 135 6.157 -1.145 -1.400 1.00 0.00 O ATOM 581 CB ALA A 135 5.558 -2.377 -4.405 1.00 0.00 C ATOM 0 H ALA A 135 7.621 -3.714 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 135 7.096 -1.053 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.746 -1.693 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.829 -2.253 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 135 5.233 -3.403 -4.233 1.00 0.00 H new ATOM 587 N ILE A 136 6.324 -3.385 -1.539 1.00 0.00 N ATOM 588 CA ILE A 136 5.974 -3.607 -0.141 1.00 0.00 C ATOM 589 C ILE A 136 7.016 -2.996 0.790 1.00 0.00 C ATOM 590 O ILE A 136 6.675 -2.365 1.789 1.00 0.00 O ATOM 591 CB ILE A 136 5.839 -5.109 0.174 1.00 0.00 C ATOM 592 CG1 ILE A 136 4.673 -5.714 -0.611 1.00 0.00 C ATOM 593 CG2 ILE A 136 5.646 -5.321 1.668 1.00 0.00 C ATOM 594 CD1 ILE A 136 4.740 -7.220 -0.727 1.00 0.00 C ATOM 0 H ILE A 136 6.511 -4.237 -2.068 1.00 0.00 H new ATOM 0 HA ILE A 136 5.012 -3.121 0.025 1.00 0.00 H new ATOM 0 HB ILE A 136 6.757 -5.613 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 136 3.737 -5.436 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 136 4.655 -5.281 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.552 -6.387 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.505 -4.921 2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 136 4.742 -4.807 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.882 -7.580 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 136 5.660 -7.505 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 136 4.727 -7.663 0.269 1.00 0.00 H new ATOM 606 N ASN A 137 8.287 -3.186 0.453 1.00 0.00 N ATOM 607 CA ASN A 137 9.380 -2.653 1.258 1.00 0.00 C ATOM 608 C ASN A 137 9.241 -1.143 1.430 1.00 0.00 C ATOM 609 O ASN A 137 9.622 -0.588 2.461 1.00 0.00 O ATOM 610 CB ASN A 137 10.726 -2.982 0.611 1.00 0.00 C ATOM 611 CG ASN A 137 11.289 -4.306 1.089 1.00 0.00 C ATOM 612 OD1 ASN A 137 12.039 -4.360 2.064 1.00 0.00 O ATOM 613 ND2 ASN A 137 10.929 -5.384 0.402 1.00 0.00 N ATOM 0 H ASN A 137 8.586 -3.705 -0.372 1.00 0.00 H new ATOM 0 HA ASN A 137 9.335 -3.120 2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.608 -3.010 -0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.437 -2.186 0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 137 11.276 -6.303 0.676 1.00 0.00 H new ATOM 0 HD22 ASN A 137 10.305 -5.293 -0.400 1.00 0.00 H new ATOM 620 N ARG A 138 8.694 -0.485 0.414 1.00 0.00 N ATOM 621 CA ARG A 138 8.505 0.960 0.453 1.00 0.00 C ATOM 622 C ARG A 138 7.540 1.353 1.567 1.00 0.00 C ATOM 623 O ARG A 138 7.808 2.276 2.337 1.00 0.00 O ATOM 624 CB ARG A 138 7.979 1.464 -0.893 1.00 0.00 C ATOM 625 CG ARG A 138 9.027 1.466 -1.994 1.00 0.00 C ATOM 626 CD ARG A 138 10.114 2.495 -1.727 1.00 0.00 C ATOM 627 NE ARG A 138 10.846 2.846 -2.941 1.00 0.00 N ATOM 628 CZ ARG A 138 12.035 3.439 -2.937 1.00 0.00 C ATOM 629 NH1 ARG A 138 12.622 3.745 -1.789 1.00 0.00 N ATOM 630 NH2 ARG A 138 12.638 3.726 -4.083 1.00 0.00 N ATOM 0 H ARG A 138 8.374 -0.929 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 138 9.472 1.422 0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 138 7.140 0.840 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 138 7.594 2.476 -0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.474 0.475 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 138 8.550 1.679 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.666 3.393 -1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.810 2.103 -0.985 1.00 0.00 H new ATOM 0 HE ARG A 138 10.421 2.624 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 138 12.161 3.525 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 138 13.535 4.200 -1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 138 12.189 3.491 -4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 138 13.551 4.181 -4.079 1.00 0.00 H new ATOM 644 N ILE A 139 6.417 0.648 1.646 1.00 0.00 N ATOM 645 CA ILE A 139 5.412 0.923 2.666 1.00 0.00 C ATOM 646 C ILE A 139 5.911 0.522 4.050 1.00 0.00 C ATOM 647 O ILE A 139 5.722 1.252 5.023 1.00 0.00 O ATOM 648 CB ILE A 139 4.095 0.181 2.373 1.00 0.00 C ATOM 649 CG1 ILE A 139 3.537 0.606 1.013 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.080 0.448 3.475 1.00 0.00 C ATOM 651 CD1 ILE A 139 4.048 -0.231 -0.138 1.00 0.00 C ATOM 0 H ILE A 139 6.180 -0.118 1.016 1.00 0.00 H new ATOM 0 HA ILE A 139 5.227 1.997 2.646 1.00 0.00 H new ATOM 0 HB ILE A 139 4.297 -0.890 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 139 2.449 0.545 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 139 3.794 1.650 0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.154 -0.083 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.478 0.101 4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.879 1.518 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 139 3.611 0.127 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 139 5.134 -0.151 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 139 3.768 -1.273 0.017 1.00 0.00 H new ATOM 663 N GLN A 140 6.550 -0.641 4.130 1.00 0.00 N ATOM 664 CA GLN A 140 7.077 -1.137 5.395 1.00 0.00 C ATOM 665 C GLN A 140 8.027 -0.124 6.024 1.00 0.00 C ATOM 666 O GLN A 140 8.008 0.090 7.237 1.00 0.00 O ATOM 667 CB GLN A 140 7.800 -2.469 5.183 1.00 0.00 C ATOM 668 CG GLN A 140 6.881 -3.596 4.740 1.00 0.00 C ATOM 669 CD GLN A 140 7.374 -4.959 5.183 1.00 0.00 C ATOM 670 OE1 GLN A 140 8.420 -5.430 4.735 1.00 0.00 O ATOM 671 NE2 GLN A 140 6.621 -5.603 6.067 1.00 0.00 N ATOM 0 H GLN A 140 6.715 -1.257 3.334 1.00 0.00 H new ATOM 0 HA GLN A 140 6.238 -1.291 6.074 1.00 0.00 H new ATOM 0 HB2 GLN A 140 8.582 -2.334 4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 140 8.293 -2.757 6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 140 5.883 -3.426 5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.792 -3.581 3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 140 5.762 -5.176 6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 140 6.902 -6.525 6.401 1.00 0.00 H new ATOM 680 N ASP A 141 8.857 0.496 5.193 1.00 0.00 N ATOM 681 CA ASP A 141 9.815 1.488 5.668 1.00 0.00 C ATOM 682 C ASP A 141 9.097 2.721 6.208 1.00 0.00 C ATOM 683 O ASP A 141 9.440 3.235 7.274 1.00 0.00 O ATOM 684 CB ASP A 141 10.767 1.890 4.540 1.00 0.00 C ATOM 685 CG ASP A 141 11.723 2.992 4.954 1.00 0.00 C ATOM 686 OD1 ASP A 141 12.624 2.717 5.774 1.00 0.00 O ATOM 687 OD2 ASP A 141 11.569 4.128 4.460 1.00 0.00 O ATOM 0 H ASP A 141 8.886 0.329 4.187 1.00 0.00 H new ATOM 0 HA ASP A 141 10.392 1.042 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.338 1.018 4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 141 10.186 2.221 3.679 1.00 0.00 H new ATOM 692 N LEU A 142 8.101 3.192 5.467 1.00 0.00 N ATOM 693 CA LEU A 142 7.335 4.366 5.870 1.00 0.00 C ATOM 694 C LEU A 142 6.577 4.102 7.167 1.00 0.00 C ATOM 695 O LEU A 142 6.529 4.954 8.055 1.00 0.00 O ATOM 696 CB LEU A 142 6.355 4.765 4.765 1.00 0.00 C ATOM 697 CG LEU A 142 6.979 5.184 3.434 1.00 0.00 C ATOM 698 CD1 LEU A 142 5.916 5.275 2.351 1.00 0.00 C ATOM 699 CD2 LEU A 142 7.708 6.512 3.581 1.00 0.00 C ATOM 0 H LEU A 142 7.804 2.779 4.583 1.00 0.00 H new ATOM 0 HA LEU A 142 8.034 5.185 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.685 3.925 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 142 5.741 5.588 5.131 1.00 0.00 H new ATOM 0 HG LEU A 142 7.704 4.425 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.379 5.575 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.439 4.303 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.167 6.013 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 142 8.146 6.795 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 142 7.003 7.281 3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 142 8.497 6.413 4.326 1.00 0.00 H new ATOM 711 N LEU A 143 5.988 2.916 7.271 1.00 0.00 N ATOM 712 CA LEU A 143 5.233 2.538 8.461 1.00 0.00 C ATOM 713 C LEU A 143 6.150 2.428 9.675 1.00 0.00 C ATOM 714 O LEU A 143 5.739 2.696 10.804 1.00 0.00 O ATOM 715 CB LEU A 143 4.512 1.209 8.230 1.00 0.00 C ATOM 716 CG LEU A 143 3.439 1.208 7.141 1.00 0.00 C ATOM 717 CD1 LEU A 143 2.875 -0.192 6.949 1.00 0.00 C ATOM 718 CD2 LEU A 143 2.328 2.190 7.485 1.00 0.00 C ATOM 0 H LEU A 143 6.018 2.199 6.546 1.00 0.00 H new ATOM 0 HA LEU A 143 4.495 3.316 8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.257 0.454 7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.050 0.902 9.168 1.00 0.00 H new ATOM 0 HG LEU A 143 3.899 1.524 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 143 2.113 -0.173 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 143 3.677 -0.870 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 143 2.431 -0.537 7.883 1.00 0.00 H new ATOM 0 HD21 LEU A 143 1.573 2.176 6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 143 1.870 1.905 8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 143 2.744 3.194 7.571 1.00 0.00 H new ATOM 730 N THR A 144 7.397 2.033 9.435 1.00 0.00 N ATOM 731 CA THR A 144 8.373 1.889 10.507 1.00 0.00 C ATOM 732 C THR A 144 8.810 3.249 11.039 1.00 0.00 C ATOM 733 O THR A 144 8.863 3.464 12.250 1.00 0.00 O ATOM 734 CB THR A 144 9.616 1.111 10.035 1.00 0.00 C ATOM 735 OG1 THR A 144 9.227 -0.168 9.523 1.00 0.00 O ATOM 736 CG2 THR A 144 10.605 0.927 11.177 1.00 0.00 C ATOM 0 H THR A 144 7.754 1.807 8.507 1.00 0.00 H new ATOM 0 HA THR A 144 7.885 1.329 11.305 1.00 0.00 H new ATOM 0 HB THR A 144 10.100 1.686 9.246 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.960 -0.077 8.584 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.474 0.375 10.820 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.921 1.903 11.546 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.129 0.371 11.985 1.00 0.00 H new ATOM 744 N GLU A 145 9.122 4.164 10.127 1.00 0.00 N ATOM 745 CA GLU A 145 9.556 5.503 10.506 1.00 0.00 C ATOM 746 C GLU A 145 8.403 6.295 11.119 1.00 0.00 C ATOM 747 O GLU A 145 8.617 7.296 11.801 1.00 0.00 O ATOM 748 CB GLU A 145 10.110 6.248 9.290 1.00 0.00 C ATOM 749 CG GLU A 145 11.244 5.516 8.593 1.00 0.00 C ATOM 750 CD GLU A 145 12.211 6.459 7.904 1.00 0.00 C ATOM 751 OE1 GLU A 145 11.764 7.230 7.028 1.00 0.00 O ATOM 752 OE2 GLU A 145 13.413 6.427 8.239 1.00 0.00 O ATOM 0 H GLU A 145 9.082 4.002 9.121 1.00 0.00 H new ATOM 0 HA GLU A 145 10.344 5.404 11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 145 9.303 6.413 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 145 10.462 7.230 9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 145 11.786 4.915 9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.829 4.827 7.858 1.00 0.00 H new ATOM 759 N GLY A 146 7.180 5.837 10.870 1.00 0.00 N ATOM 760 CA GLY A 146 6.012 6.513 11.403 1.00 0.00 C ATOM 761 C GLY A 146 5.281 7.323 10.351 1.00 0.00 C ATOM 762 O GLY A 146 4.099 7.633 10.506 1.00 0.00 O ATOM 0 H GLY A 146 6.977 5.010 10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 146 5.331 5.775 11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 146 6.317 7.171 12.217 1.00 0.00 H new ATOM 766 N THR A 147 5.985 7.670 9.278 1.00 0.00 N ATOM 767 CA THR A 147 5.396 8.452 8.198 1.00 0.00 C ATOM 768 C THR A 147 3.974 7.993 7.899 1.00 0.00 C ATOM 769 O THR A 147 3.119 8.795 7.519 1.00 0.00 O ATOM 770 CB THR A 147 6.236 8.353 6.911 1.00 0.00 C ATOM 771 OG1 THR A 147 7.607 8.654 7.196 1.00 0.00 O ATOM 772 CG2 THR A 147 5.713 9.307 5.848 1.00 0.00 C ATOM 0 H THR A 147 6.964 7.422 9.134 1.00 0.00 H new ATOM 0 HA THR A 147 5.377 9.489 8.533 1.00 0.00 H new ATOM 0 HB THR A 147 6.159 7.334 6.532 1.00 0.00 H new ATOM 0 HG1 THR A 147 8.135 8.587 6.373 1.00 0.00 H new ATOM 0 HG21 THR A 147 6.322 9.219 4.949 1.00 0.00 H new ATOM 0 HG22 THR A 147 4.679 9.057 5.612 1.00 0.00 H new ATOM 0 HG23 THR A 147 5.763 10.330 6.221 1.00 0.00 H new ATOM 780 N LEU A 148 3.725 6.700 8.075 1.00 0.00 N ATOM 781 CA LEU A 148 2.403 6.135 7.825 1.00 0.00 C ATOM 782 C LEU A 148 2.021 5.140 8.916 1.00 0.00 C ATOM 783 O LEU A 148 2.886 4.565 9.579 1.00 0.00 O ATOM 784 CB LEU A 148 2.372 5.447 6.459 1.00 0.00 C ATOM 785 CG LEU A 148 2.249 6.369 5.245 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.668 5.642 3.977 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.826 6.893 5.116 1.00 0.00 C ATOM 0 H LEU A 148 4.420 6.023 8.390 1.00 0.00 H new ATOM 0 HA LEU A 148 1.679 6.950 7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.282 4.857 6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 148 1.536 4.748 6.445 1.00 0.00 H new ATOM 0 HG LEU A 148 2.917 7.218 5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.574 6.314 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.704 5.317 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 148 2.027 4.773 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.757 7.547 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 148 0.139 6.055 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.561 7.452 6.013 1.00 0.00 H new ATOM 799 N THR A 149 0.719 4.940 9.098 1.00 0.00 N ATOM 800 CA THR A 149 0.222 4.015 10.108 1.00 0.00 C ATOM 801 C THR A 149 -0.791 3.043 9.513 1.00 0.00 C ATOM 802 O THR A 149 -1.811 3.455 8.961 1.00 0.00 O ATOM 803 CB THR A 149 -0.432 4.765 11.283 1.00 0.00 C ATOM 804 OG1 THR A 149 0.496 5.699 11.846 1.00 0.00 O ATOM 805 CG2 THR A 149 -0.893 3.791 12.357 1.00 0.00 C ATOM 0 H THR A 149 -0.010 5.407 8.558 1.00 0.00 H new ATOM 0 HA THR A 149 1.083 3.457 10.477 1.00 0.00 H new ATOM 0 HB THR A 149 -1.302 5.302 10.903 1.00 0.00 H new ATOM 0 HG1 THR A 149 0.072 6.173 12.591 1.00 0.00 H new ATOM 0 HG21 THR A 149 -1.352 4.344 13.177 1.00 0.00 H new ATOM 0 HG22 THR A 149 -1.621 3.100 11.933 1.00 0.00 H new ATOM 0 HG23 THR A 149 -0.037 3.231 12.732 1.00 0.00 H new ATOM 813 N GLY A 150 -0.503 1.750 9.628 1.00 0.00 N ATOM 814 CA GLY A 150 -1.399 0.740 9.097 1.00 0.00 C ATOM 815 C GLY A 150 -1.163 -0.625 9.710 1.00 0.00 C ATOM 816 O GLY A 150 -0.230 -0.810 10.493 1.00 0.00 O ATOM 0 H GLY A 150 0.335 1.384 10.080 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.430 1.043 9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.270 0.677 8.016 1.00 0.00 H new ATOM 820 N VAL A 151 -2.010 -1.586 9.356 1.00 0.00 N ATOM 821 CA VAL A 151 -1.890 -2.942 9.878 1.00 0.00 C ATOM 822 C VAL A 151 -1.962 -3.972 8.756 1.00 0.00 C ATOM 823 O VAL A 151 -2.650 -3.766 7.755 1.00 0.00 O ATOM 824 CB VAL A 151 -2.991 -3.247 10.910 1.00 0.00 C ATOM 825 CG1 VAL A 151 -2.784 -2.423 12.172 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.366 -2.987 10.314 1.00 0.00 C ATOM 0 H VAL A 151 -2.787 -1.450 8.709 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.917 -3.007 10.366 1.00 0.00 H new ATOM 0 HB VAL A 151 -2.930 -4.301 11.179 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.572 -2.652 12.890 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -1.815 -2.663 12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -2.817 -1.362 11.923 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.132 -3.208 11.057 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -4.441 -1.942 10.015 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.511 -3.625 9.442 1.00 0.00 H new ATOM 836 N ILE A 152 -1.248 -5.079 8.928 1.00 0.00 N ATOM 837 CA ILE A 152 -1.232 -6.141 7.930 1.00 0.00 C ATOM 838 C ILE A 152 -1.869 -7.415 8.474 1.00 0.00 C ATOM 839 O ILE A 152 -1.558 -7.853 9.582 1.00 0.00 O ATOM 840 CB ILE A 152 0.202 -6.455 7.465 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.830 -5.223 6.809 1.00 0.00 C ATOM 842 CG2 ILE A 152 0.200 -7.632 6.501 1.00 0.00 C ATOM 843 CD1 ILE A 152 2.332 -5.316 6.663 1.00 0.00 C ATOM 0 H ILE A 152 -0.673 -5.264 9.750 1.00 0.00 H new ATOM 0 HA ILE A 152 -1.811 -5.783 7.078 1.00 0.00 H new ATOM 0 HB ILE A 152 0.800 -6.724 8.336 1.00 0.00 H new ATOM 0 HG12 ILE A 152 0.386 -5.080 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.585 -4.341 7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 152 1.221 -7.842 6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -0.212 -8.510 6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.410 -7.389 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.709 -4.409 6.191 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.787 -5.428 7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.585 -6.178 6.046 1.00 0.00 H new ATOM 855 N ASP A 153 -2.760 -8.007 7.687 1.00 0.00 N ATOM 856 CA ASP A 153 -3.439 -9.234 8.087 1.00 0.00 C ATOM 857 C ASP A 153 -2.700 -10.460 7.562 1.00 0.00 C ATOM 858 O ASP A 153 -1.748 -10.341 6.790 1.00 0.00 O ATOM 859 CB ASP A 153 -4.881 -9.234 7.577 1.00 0.00 C ATOM 860 CG ASP A 153 -5.794 -8.365 8.419 1.00 0.00 C ATOM 861 OD1 ASP A 153 -5.778 -7.130 8.229 1.00 0.00 O ATOM 862 OD2 ASP A 153 -6.524 -8.918 9.267 1.00 0.00 O ATOM 0 H ASP A 153 -3.029 -7.657 6.768 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.448 -9.277 9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -4.898 -8.881 6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -5.261 -10.256 7.571 1.00 0.00 H new ATOM 867 N ASP A 154 -3.144 -11.639 7.986 1.00 0.00 N ATOM 868 CA ASP A 154 -2.524 -12.888 7.558 1.00 0.00 C ATOM 869 C ASP A 154 -2.703 -13.097 6.058 1.00 0.00 C ATOM 870 O ASP A 154 -2.134 -14.022 5.478 1.00 0.00 O ATOM 871 CB ASP A 154 -3.123 -14.068 8.325 1.00 0.00 C ATOM 872 CG ASP A 154 -3.343 -13.753 9.792 1.00 0.00 C ATOM 873 OD1 ASP A 154 -2.381 -13.880 10.578 1.00 0.00 O ATOM 874 OD2 ASP A 154 -4.478 -13.378 10.154 1.00 0.00 O ATOM 0 H ASP A 154 -3.930 -11.756 8.625 1.00 0.00 H new ATOM 0 HA ASP A 154 -1.457 -12.828 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -4.073 -14.349 7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -2.461 -14.929 8.237 1.00 0.00 H new ATOM 879 N ARG A 155 -3.499 -12.233 5.435 1.00 0.00 N ATOM 880 CA ARG A 155 -3.754 -12.325 4.003 1.00 0.00 C ATOM 881 C ARG A 155 -2.873 -11.349 3.230 1.00 0.00 C ATOM 882 O ARG A 155 -3.187 -10.974 2.101 1.00 0.00 O ATOM 883 CB ARG A 155 -5.229 -12.042 3.708 1.00 0.00 C ATOM 884 CG ARG A 155 -6.129 -13.253 3.888 1.00 0.00 C ATOM 885 CD ARG A 155 -6.650 -13.353 5.314 1.00 0.00 C ATOM 886 NE ARG A 155 -7.518 -14.512 5.499 1.00 0.00 N ATOM 887 CZ ARG A 155 -8.382 -14.630 6.501 1.00 0.00 C ATOM 888 NH1 ARG A 155 -8.493 -13.664 7.403 1.00 0.00 N ATOM 889 NH2 ARG A 155 -9.138 -15.715 6.603 1.00 0.00 N ATOM 0 H ARG A 155 -3.978 -11.462 5.900 1.00 0.00 H new ATOM 0 HA ARG A 155 -3.513 -13.338 3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -5.575 -11.242 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -5.323 -11.679 2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -6.969 -13.190 3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -5.577 -14.159 3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -5.808 -13.417 6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -7.199 -12.445 5.564 1.00 0.00 H new ATOM 0 HE ARG A 155 -7.458 -15.273 4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -7.914 -12.828 7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -9.157 -13.758 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -9.056 -16.460 5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -9.801 -15.804 7.373 1.00 0.00 H new ATOM 903 N GLY A 156 -1.768 -10.941 3.847 1.00 0.00 N ATOM 904 CA GLY A 156 -0.859 -10.011 3.202 1.00 0.00 C ATOM 905 C GLY A 156 -1.584 -8.860 2.533 1.00 0.00 C ATOM 906 O GLY A 156 -1.258 -8.481 1.408 1.00 0.00 O ATOM 0 H GLY A 156 -1.486 -11.238 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -0.163 -9.616 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -0.266 -10.544 2.459 1.00 0.00 H new ATOM 910 N LYS A 157 -2.572 -8.303 3.226 1.00 0.00 N ATOM 911 CA LYS A 157 -3.346 -7.188 2.694 1.00 0.00 C ATOM 912 C LYS A 157 -2.984 -5.887 3.401 1.00 0.00 C ATOM 913 O LYS A 157 -2.555 -5.894 4.555 1.00 0.00 O ATOM 914 CB LYS A 157 -4.844 -7.463 2.845 1.00 0.00 C ATOM 915 CG LYS A 157 -5.414 -8.348 1.750 1.00 0.00 C ATOM 916 CD LYS A 157 -5.881 -7.530 0.558 1.00 0.00 C ATOM 917 CE LYS A 157 -7.297 -7.011 0.759 1.00 0.00 C ATOM 918 NZ LYS A 157 -8.319 -8.035 0.403 1.00 0.00 N ATOM 0 H LYS A 157 -2.855 -8.606 4.158 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.106 -7.084 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -5.023 -7.935 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.380 -6.514 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.657 -9.063 1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -6.249 -8.926 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.203 -6.691 0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.841 -8.142 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -7.430 -6.711 1.799 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -7.447 -6.120 0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -9.270 -7.643 0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -8.209 -8.303 -0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -8.192 -8.875 1.003 1.00 0.00 H new ATOM 932 N PHE A 158 -3.160 -4.770 2.703 1.00 0.00 N ATOM 933 CA PHE A 158 -2.851 -3.460 3.265 1.00 0.00 C ATOM 934 C PHE A 158 -4.130 -2.690 3.583 1.00 0.00 C ATOM 935 O PHE A 158 -4.960 -2.454 2.705 1.00 0.00 O ATOM 936 CB PHE A 158 -1.987 -2.655 2.292 1.00 0.00 C ATOM 937 CG PHE A 158 -1.475 -1.367 2.871 1.00 0.00 C ATOM 938 CD1 PHE A 158 -0.846 -1.348 4.105 1.00 0.00 C ATOM 939 CD2 PHE A 158 -1.621 -0.175 2.179 1.00 0.00 C ATOM 940 CE1 PHE A 158 -0.375 -0.164 4.640 1.00 0.00 C ATOM 941 CE2 PHE A 158 -1.151 1.012 2.709 1.00 0.00 C ATOM 942 CZ PHE A 158 -0.526 1.017 3.941 1.00 0.00 C ATOM 0 H PHE A 158 -3.515 -4.746 1.747 1.00 0.00 H new ATOM 0 HA PHE A 158 -2.298 -3.611 4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -1.140 -3.266 1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -2.569 -2.436 1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.722 -2.269 4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -2.107 -0.174 1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.111 -0.163 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -1.272 1.934 2.161 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.156 1.943 4.356 1.00 0.00 H new ATOM 952 N ILE A 159 -4.281 -2.303 4.845 1.00 0.00 N ATOM 953 CA ILE A 159 -5.457 -1.560 5.279 1.00 0.00 C ATOM 954 C ILE A 159 -5.062 -0.247 5.947 1.00 0.00 C ATOM 955 O ILE A 159 -4.428 -0.241 7.003 1.00 0.00 O ATOM 956 CB ILE A 159 -6.314 -2.384 6.259 1.00 0.00 C ATOM 957 CG1 ILE A 159 -6.710 -3.719 5.625 1.00 0.00 C ATOM 958 CG2 ILE A 159 -7.550 -1.599 6.671 1.00 0.00 C ATOM 959 CD1 ILE A 159 -7.122 -4.768 6.634 1.00 0.00 C ATOM 0 H ILE A 159 -3.604 -2.492 5.584 1.00 0.00 H new ATOM 0 HA ILE A 159 -6.044 -1.348 4.385 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.724 -2.588 7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.533 -3.552 4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -5.871 -4.098 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.145 -2.194 7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -7.247 -0.672 7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -8.145 -1.367 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -7.389 -5.688 6.114 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.293 -4.964 7.315 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -7.981 -4.409 7.202 1.00 0.00 H new ATOM 971 N TYR A 160 -5.443 0.864 5.327 1.00 0.00 N ATOM 972 CA TYR A 160 -5.128 2.184 5.860 1.00 0.00 C ATOM 973 C TYR A 160 -6.376 2.856 6.423 1.00 0.00 C ATOM 974 O TYR A 160 -7.436 2.847 5.795 1.00 0.00 O ATOM 975 CB TYR A 160 -4.508 3.063 4.772 1.00 0.00 C ATOM 976 CG TYR A 160 -3.651 4.184 5.315 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.459 3.915 5.976 1.00 0.00 C ATOM 978 CD2 TYR A 160 -4.032 5.511 5.165 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.672 4.936 6.474 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.251 6.539 5.658 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.073 6.246 6.312 1.00 0.00 C ATOM 982 OH TYR A 160 -1.292 7.266 6.805 1.00 0.00 O ATOM 0 H TYR A 160 -5.971 0.877 4.454 1.00 0.00 H new ATOM 0 HA TYR A 160 -4.409 2.058 6.669 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -3.902 2.440 4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -5.305 3.489 4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -2.142 2.890 6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -4.955 5.744 4.654 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -0.749 4.710 6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -3.561 7.566 5.532 1.00 0.00 H new ATOM 0 HH TYR A 160 -1.356 8.043 6.212 1.00 0.00 H new ATOM 992 N ILE A 161 -6.243 3.438 7.610 1.00 0.00 N ATOM 993 CA ILE A 161 -7.359 4.117 8.257 1.00 0.00 C ATOM 994 C ILE A 161 -7.267 5.628 8.070 1.00 0.00 C ATOM 995 O ILE A 161 -6.346 6.272 8.573 1.00 0.00 O ATOM 996 CB ILE A 161 -7.414 3.800 9.763 1.00 0.00 C ATOM 997 CG1 ILE A 161 -7.494 2.288 9.985 1.00 0.00 C ATOM 998 CG2 ILE A 161 -8.601 4.499 10.409 1.00 0.00 C ATOM 999 CD1 ILE A 161 -7.095 1.860 11.381 1.00 0.00 C ATOM 0 H ILE A 161 -5.374 3.453 8.143 1.00 0.00 H new ATOM 0 HA ILE A 161 -8.269 3.750 7.783 1.00 0.00 H new ATOM 0 HB ILE A 161 -6.501 4.170 10.231 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -8.513 1.953 9.788 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -6.849 1.788 9.262 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -8.626 4.265 11.473 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -8.505 5.577 10.277 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -9.524 4.157 9.941 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.176 0.776 11.466 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -6.066 2.164 11.575 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -7.755 2.331 12.109 1.00 0.00 H new