USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 94 LYS NZ :NH3+ -153:sc= 0.926 (180deg=0) USER MOD Set 1.2: A 107 HIS :FLIP no HD1:sc= 0.721 F(o=-8.9!,f=1.6) USER MOD Set 2.1: A 97 ASN : amide:sc= -1.68! C(o=-3.1!,f=-13!) USER MOD Set 2.2: A 135 GLN : amide:sc= -1.41! C(o=-3.1!,f=-13!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.384 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 111:sc= 1.18 USER MOD Single : A 111 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.7) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -97:sc= -3.8! USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc=-0.00908 X(o=-0.0091,f=-0.34) USER MOD Single : A 138 TYR OH : rot 150:sc= -1.13 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 144 MET CE :methyl -147:sc= -1.22 (180deg=-2.43) USER MOD Single : A 145 MET CE :methyl 172:sc= -0.877 (180deg=-0.931) USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 78 18.402 11.504 -1.136 1.00 0.00 N ATOM 2 CA ASP A 78 18.226 12.815 -1.820 1.00 0.00 C ATOM 3 C ASP A 78 16.904 13.445 -1.382 1.00 0.00 C ATOM 4 O ASP A 78 16.824 14.058 -0.317 1.00 0.00 O ATOM 5 CB ASP A 78 18.240 12.597 -3.336 1.00 0.00 C ATOM 6 CG ASP A 78 19.653 12.246 -3.791 1.00 0.00 C ATOM 7 OD1 ASP A 78 20.570 12.439 -3.010 1.00 0.00 O ATOM 8 OD2 ASP A 78 19.797 11.787 -4.913 1.00 0.00 O ATOM 0 HA ASP A 78 19.040 13.489 -1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.551 11.796 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.896 13.497 -3.846 1.00 0.00 H new ATOM 15 N THR A 79 15.859 13.276 -2.198 1.00 0.00 N ATOM 16 CA THR A 79 14.532 13.820 -1.873 1.00 0.00 C ATOM 17 C THR A 79 13.458 12.755 -2.088 1.00 0.00 C ATOM 18 O THR A 79 13.349 12.186 -3.174 1.00 0.00 O ATOM 19 CB THR A 79 14.236 15.037 -2.754 1.00 0.00 C ATOM 20 OG1 THR A 79 15.249 16.013 -2.563 1.00 0.00 O ATOM 21 CG2 THR A 79 12.877 15.631 -2.372 1.00 0.00 C ATOM 0 H THR A 79 15.903 12.771 -3.083 1.00 0.00 H new ATOM 0 HA THR A 79 14.525 14.124 -0.826 1.00 0.00 H new ATOM 0 HB THR A 79 14.215 14.731 -3.800 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.063 16.792 -3.127 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.669 16.497 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.099 14.882 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.895 15.938 -1.326 1.00 0.00 H new ATOM 29 N ASP A 80 12.666 12.488 -1.047 1.00 0.00 N ATOM 30 CA ASP A 80 11.603 11.482 -1.140 1.00 0.00 C ATOM 31 C ASP A 80 10.291 12.123 -1.588 1.00 0.00 C ATOM 32 O ASP A 80 9.309 11.432 -1.857 1.00 0.00 O ATOM 33 CB ASP A 80 11.405 10.810 0.221 1.00 0.00 C ATOM 34 CG ASP A 80 12.683 10.085 0.630 1.00 0.00 C ATOM 35 OD1 ASP A 80 13.697 10.301 -0.016 1.00 0.00 O ATOM 36 OD2 ASP A 80 12.631 9.325 1.584 1.00 0.00 O ATOM 0 H ASP A 80 12.738 12.948 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 80 11.898 10.736 -1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.144 11.557 0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.576 10.104 0.171 1.00 0.00 H new ATOM 41 N SER A 81 10.291 13.449 -1.671 1.00 0.00 N ATOM 42 CA SER A 81 9.105 14.185 -2.091 1.00 0.00 C ATOM 43 C SER A 81 7.864 13.684 -1.354 1.00 0.00 C ATOM 44 O SER A 81 7.107 12.864 -1.875 1.00 0.00 O ATOM 45 CB SER A 81 8.897 14.037 -3.599 1.00 0.00 C ATOM 46 OG SER A 81 7.742 14.770 -3.988 1.00 0.00 O ATOM 0 H SER A 81 11.097 14.035 -1.453 1.00 0.00 H new ATOM 0 HA SER A 81 9.257 15.236 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.772 14.403 -4.136 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.779 12.985 -3.860 1.00 0.00 H new ATOM 0 HG SER A 81 7.607 14.679 -4.954 1.00 0.00 H new ATOM 52 N GLU A 82 7.662 14.189 -0.143 1.00 0.00 N ATOM 53 CA GLU A 82 6.509 13.795 0.664 1.00 0.00 C ATOM 54 C GLU A 82 5.239 13.803 -0.184 1.00 0.00 C ATOM 55 O GLU A 82 4.322 13.010 0.041 1.00 0.00 O ATOM 56 CB GLU A 82 6.358 14.774 1.835 1.00 0.00 C ATOM 57 CG GLU A 82 5.201 14.346 2.741 1.00 0.00 C ATOM 58 CD GLU A 82 5.065 15.331 3.900 1.00 0.00 C ATOM 59 OE1 GLU A 82 4.539 16.409 3.676 1.00 0.00 O ATOM 60 OE2 GLU A 82 5.490 14.993 4.991 1.00 0.00 O ATOM 0 H GLU A 82 8.278 14.870 0.302 1.00 0.00 H new ATOM 0 HA GLU A 82 6.665 12.785 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.284 14.810 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.179 15.780 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.273 14.310 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.378 13.341 3.124 1.00 0.00 H new ATOM 67 N GLU A 83 5.184 14.712 -1.150 1.00 0.00 N ATOM 68 CA GLU A 83 4.018 14.828 -2.012 1.00 0.00 C ATOM 69 C GLU A 83 3.869 13.613 -2.934 1.00 0.00 C ATOM 70 O GLU A 83 2.774 13.065 -3.058 1.00 0.00 O ATOM 71 CB GLU A 83 4.127 16.111 -2.833 1.00 0.00 C ATOM 72 CG GLU A 83 4.075 17.325 -1.896 1.00 0.00 C ATOM 73 CD GLU A 83 2.705 17.423 -1.231 1.00 0.00 C ATOM 74 OE1 GLU A 83 1.768 16.854 -1.765 1.00 0.00 O ATOM 75 OE2 GLU A 83 2.613 18.064 -0.197 1.00 0.00 O ATOM 0 H GLU A 83 5.931 15.376 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 83 3.128 14.865 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.058 16.115 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.314 16.162 -3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.851 17.239 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.280 18.236 -2.458 1.00 0.00 H new ATOM 82 N GLU A 84 4.954 13.189 -3.580 1.00 0.00 N ATOM 83 CA GLU A 84 4.868 12.033 -4.474 1.00 0.00 C ATOM 84 C GLU A 84 4.211 10.881 -3.729 1.00 0.00 C ATOM 85 O GLU A 84 3.297 10.237 -4.244 1.00 0.00 O ATOM 86 CB GLU A 84 6.259 11.608 -4.951 1.00 0.00 C ATOM 87 CG GLU A 84 6.132 10.496 -6.002 1.00 0.00 C ATOM 88 CD GLU A 84 5.538 11.056 -7.290 1.00 0.00 C ATOM 89 OE1 GLU A 84 5.410 12.265 -7.383 1.00 0.00 O ATOM 90 OE2 GLU A 84 5.216 10.266 -8.162 1.00 0.00 O ATOM 0 H GLU A 84 5.879 13.613 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 84 4.275 12.305 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.785 12.463 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.851 11.256 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.111 10.062 -6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.500 9.694 -5.620 1.00 0.00 H new ATOM 97 N ILE A 85 4.675 10.632 -2.509 1.00 0.00 N ATOM 98 CA ILE A 85 4.116 9.560 -1.699 1.00 0.00 C ATOM 99 C ILE A 85 2.623 9.797 -1.532 1.00 0.00 C ATOM 100 O ILE A 85 1.814 8.894 -1.710 1.00 0.00 O ATOM 101 CB ILE A 85 4.785 9.568 -0.315 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.294 9.356 -0.464 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.207 8.459 0.570 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.964 9.522 0.901 1.00 0.00 C ATOM 0 H ILE A 85 5.430 11.154 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 85 4.290 8.600 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 85 4.592 10.534 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.496 8.362 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.706 10.074 -1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.693 8.481 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.135 8.615 0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.380 7.491 0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.039 9.372 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.772 10.525 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.559 8.787 1.597 1.00 0.00 H new ATOM 116 N ARG A 86 2.264 11.027 -1.201 1.00 0.00 N ATOM 117 CA ARG A 86 0.863 11.371 -1.011 1.00 0.00 C ATOM 118 C ARG A 86 0.069 11.125 -2.300 1.00 0.00 C ATOM 119 O ARG A 86 -1.084 10.695 -2.260 1.00 0.00 O ATOM 120 CB ARG A 86 0.754 12.847 -0.593 1.00 0.00 C ATOM 121 CG ARG A 86 1.374 13.053 0.805 1.00 0.00 C ATOM 122 CD ARG A 86 0.341 12.765 1.900 1.00 0.00 C ATOM 123 NE ARG A 86 0.941 12.969 3.217 1.00 0.00 N ATOM 124 CZ ARG A 86 1.078 14.189 3.731 1.00 0.00 C ATOM 125 NH1 ARG A 86 0.636 15.229 3.074 1.00 0.00 N ATOM 126 NH2 ARG A 86 1.644 14.347 4.893 1.00 0.00 N ATOM 0 H ARG A 86 2.916 11.798 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 86 0.444 10.740 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.264 13.477 -1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.292 13.153 -0.584 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.235 12.396 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.738 14.076 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.522 13.420 1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.021 11.741 1.810 1.00 0.00 H new ATOM 0 HE ARG A 86 1.261 12.162 3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.186 15.106 2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.741 16.164 3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.983 13.535 5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.749 15.282 5.286 1.00 0.00 H new ATOM 140 N GLU A 87 0.701 11.363 -3.442 1.00 0.00 N ATOM 141 CA GLU A 87 0.037 11.139 -4.725 1.00 0.00 C ATOM 142 C GLU A 87 -0.022 9.647 -5.056 1.00 0.00 C ATOM 143 O GLU A 87 -1.098 9.050 -5.110 1.00 0.00 O ATOM 144 CB GLU A 87 0.786 11.883 -5.832 1.00 0.00 C ATOM 145 CG GLU A 87 0.635 13.390 -5.617 1.00 0.00 C ATOM 146 CD GLU A 87 1.442 14.154 -6.660 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.082 13.511 -7.474 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.406 15.374 -6.630 1.00 0.00 O ATOM 0 H GLU A 87 1.659 11.706 -3.510 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.983 11.517 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.840 11.606 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.390 11.601 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.416 13.671 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.974 13.658 -4.616 1.00 0.00 H new ATOM 155 N ALA A 88 1.149 9.067 -5.299 1.00 0.00 N ATOM 156 CA ALA A 88 1.249 7.653 -5.656 1.00 0.00 C ATOM 157 C ALA A 88 0.247 6.820 -4.866 1.00 0.00 C ATOM 158 O ALA A 88 -0.525 6.051 -5.437 1.00 0.00 O ATOM 159 CB ALA A 88 2.669 7.144 -5.392 1.00 0.00 C ATOM 0 H ALA A 88 2.044 9.554 -5.256 1.00 0.00 H new ATOM 0 HA ALA A 88 1.021 7.553 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.733 6.090 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.378 7.715 -5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.908 7.264 -4.335 1.00 0.00 H new ATOM 165 N PHE A 89 0.256 6.986 -3.551 1.00 0.00 N ATOM 166 CA PHE A 89 -0.663 6.248 -2.698 1.00 0.00 C ATOM 167 C PHE A 89 -2.117 6.658 -2.965 1.00 0.00 C ATOM 168 O PHE A 89 -3.001 5.806 -3.023 1.00 0.00 O ATOM 169 CB PHE A 89 -0.294 6.460 -1.224 1.00 0.00 C ATOM 170 CG PHE A 89 0.764 5.451 -0.821 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.417 4.103 -0.671 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.084 5.858 -0.612 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.392 3.164 -0.311 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.056 4.921 -0.257 1.00 0.00 C ATOM 175 CZ PHE A 89 2.713 3.578 -0.106 1.00 0.00 C ATOM 0 H PHE A 89 0.884 7.619 -3.056 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.575 5.187 -2.931 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.077 7.473 -1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.178 6.347 -0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.603 3.787 -0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.353 6.898 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.125 2.124 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.076 5.237 -0.099 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.468 2.856 0.170 1.00 0.00 H new ATOM 185 N ARG A 90 -2.365 7.956 -3.131 1.00 0.00 N ATOM 186 CA ARG A 90 -3.724 8.417 -3.396 1.00 0.00 C ATOM 187 C ARG A 90 -4.259 7.769 -4.673 1.00 0.00 C ATOM 188 O ARG A 90 -5.402 7.316 -4.720 1.00 0.00 O ATOM 189 CB ARG A 90 -3.732 9.946 -3.540 1.00 0.00 C ATOM 190 CG ARG A 90 -3.747 10.620 -2.154 1.00 0.00 C ATOM 191 CD ARG A 90 -5.186 10.728 -1.636 1.00 0.00 C ATOM 192 NE ARG A 90 -5.228 11.541 -0.426 1.00 0.00 N ATOM 193 CZ ARG A 90 -6.314 11.580 0.340 1.00 0.00 C ATOM 194 NH1 ARG A 90 -7.363 10.873 0.021 1.00 0.00 N ATOM 195 NH2 ARG A 90 -6.328 12.322 1.412 1.00 0.00 N ATOM 0 H ARG A 90 -1.660 8.692 -3.088 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.366 8.132 -2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.853 10.269 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.606 10.258 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.143 10.043 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.300 11.612 -2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.823 11.170 -2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.581 9.733 -1.428 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.409 12.090 -0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.350 10.290 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.196 10.903 0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.506 12.872 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.161 12.353 2.000 1.00 0.00 H new ATOM 209 N VAL A 91 -3.419 7.721 -5.698 1.00 0.00 N ATOM 210 CA VAL A 91 -3.801 7.117 -6.970 1.00 0.00 C ATOM 211 C VAL A 91 -4.034 5.619 -6.790 1.00 0.00 C ATOM 212 O VAL A 91 -4.977 5.054 -7.346 1.00 0.00 O ATOM 213 CB VAL A 91 -2.702 7.351 -8.009 1.00 0.00 C ATOM 214 CG1 VAL A 91 -3.074 6.656 -9.323 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.545 8.852 -8.253 1.00 0.00 C ATOM 0 H VAL A 91 -2.469 8.092 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.725 7.580 -7.317 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.763 6.940 -7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.288 6.826 -10.059 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.184 5.585 -9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.014 7.062 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.762 9.020 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.486 9.261 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.274 9.346 -7.320 1.00 0.00 H new ATOM 225 N PHE A 92 -3.158 4.984 -6.015 1.00 0.00 N ATOM 226 CA PHE A 92 -3.265 3.548 -5.773 1.00 0.00 C ATOM 227 C PHE A 92 -4.672 3.192 -5.303 1.00 0.00 C ATOM 228 O PHE A 92 -5.295 2.296 -5.855 1.00 0.00 O ATOM 229 CB PHE A 92 -2.222 3.120 -4.716 1.00 0.00 C ATOM 230 CG PHE A 92 -0.923 2.727 -5.393 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.466 3.432 -6.515 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.183 1.645 -4.900 1.00 0.00 C ATOM 233 CE1 PHE A 92 0.727 3.055 -7.142 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.010 1.269 -5.526 1.00 0.00 C ATOM 235 CZ PHE A 92 1.464 1.974 -6.647 1.00 0.00 C ATOM 0 H PHE A 92 -2.373 5.437 -5.547 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.069 3.015 -6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.044 3.938 -4.018 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.606 2.282 -4.134 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.035 4.267 -6.896 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.534 1.100 -4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.078 3.598 -8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.581 0.435 -5.145 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.385 1.683 -7.130 1.00 0.00 H new ATOM 245 N ASP A 93 -5.180 3.892 -4.296 1.00 0.00 N ATOM 246 CA ASP A 93 -6.528 3.611 -3.799 1.00 0.00 C ATOM 247 C ASP A 93 -7.497 3.406 -4.958 1.00 0.00 C ATOM 248 O ASP A 93 -7.989 4.362 -5.554 1.00 0.00 O ATOM 249 CB ASP A 93 -7.003 4.764 -2.922 1.00 0.00 C ATOM 250 CG ASP A 93 -8.275 4.363 -2.186 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.424 3.184 -1.904 1.00 0.00 O ATOM 252 OD2 ASP A 93 -9.082 5.238 -1.921 1.00 0.00 O ATOM 0 H ASP A 93 -4.692 4.646 -3.812 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.498 2.695 -3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.226 5.032 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.189 5.646 -3.535 1.00 0.00 H new ATOM 257 N LYS A 94 -7.787 2.138 -5.231 1.00 0.00 N ATOM 258 CA LYS A 94 -8.718 1.706 -6.271 1.00 0.00 C ATOM 259 C LYS A 94 -10.134 1.647 -5.725 1.00 0.00 C ATOM 260 O LYS A 94 -11.041 1.141 -6.384 1.00 0.00 O ATOM 261 CB LYS A 94 -8.326 0.331 -6.808 1.00 0.00 C ATOM 262 CG LYS A 94 -6.806 0.243 -6.903 1.00 0.00 C ATOM 263 CD LYS A 94 -6.394 -1.084 -7.544 1.00 0.00 C ATOM 264 CE LYS A 94 -6.568 -1.026 -9.069 1.00 0.00 C ATOM 265 NZ LYS A 94 -5.845 -2.172 -9.690 1.00 0.00 N ATOM 0 H LYS A 94 -7.370 1.359 -4.721 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.675 2.432 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.707 -0.451 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.773 0.170 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.422 1.075 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.366 0.327 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.355 -1.305 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.997 -1.894 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.626 -1.065 -9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.180 -0.084 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.562 -1.920 -10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.998 -2.394 -9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.470 -3.003 -9.717 1.00 0.00 H new ATOM 279 N ASP A 95 -10.316 2.159 -4.516 1.00 0.00 N ATOM 280 CA ASP A 95 -11.627 2.160 -3.866 1.00 0.00 C ATOM 281 C ASP A 95 -12.066 3.578 -3.502 1.00 0.00 C ATOM 282 O ASP A 95 -13.033 3.760 -2.765 1.00 0.00 O ATOM 283 CB ASP A 95 -11.551 1.311 -2.606 1.00 0.00 C ATOM 284 CG ASP A 95 -11.305 -0.139 -2.996 1.00 0.00 C ATOM 285 OD1 ASP A 95 -11.812 -0.544 -4.030 1.00 0.00 O ATOM 286 OD2 ASP A 95 -10.609 -0.822 -2.264 1.00 0.00 O ATOM 0 H ASP A 95 -9.572 2.581 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.361 1.749 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -10.749 1.668 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.478 1.396 -2.039 1.00 0.00 H new ATOM 291 N GLY A 96 -11.368 4.578 -4.036 1.00 0.00 N ATOM 292 CA GLY A 96 -11.722 5.974 -3.767 1.00 0.00 C ATOM 293 C GLY A 96 -12.099 6.203 -2.303 1.00 0.00 C ATOM 294 O GLY A 96 -12.730 7.208 -1.972 1.00 0.00 O ATOM 0 H GLY A 96 -10.563 4.453 -4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.882 6.617 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.557 6.265 -4.405 1.00 0.00 H new ATOM 298 N ASN A 97 -11.724 5.272 -1.427 1.00 0.00 N ATOM 299 CA ASN A 97 -12.050 5.402 -0.005 1.00 0.00 C ATOM 300 C ASN A 97 -11.011 6.255 0.728 1.00 0.00 C ATOM 301 O ASN A 97 -11.198 6.604 1.892 1.00 0.00 O ATOM 302 CB ASN A 97 -12.159 4.017 0.642 1.00 0.00 C ATOM 303 CG ASN A 97 -10.808 3.308 0.650 1.00 0.00 C ATOM 304 OD1 ASN A 97 -9.821 3.832 0.134 1.00 0.00 O ATOM 305 ND2 ASN A 97 -10.712 2.133 1.209 1.00 0.00 N ATOM 0 H ASN A 97 -11.202 4.430 -1.670 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.013 5.907 0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.527 4.117 1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.887 3.414 0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.816 1.645 1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.533 1.703 1.635 1.00 0.00 H new ATOM 312 N GLY A 98 -9.926 6.599 0.042 1.00 0.00 N ATOM 313 CA GLY A 98 -8.881 7.425 0.649 1.00 0.00 C ATOM 314 C GLY A 98 -7.983 6.608 1.572 1.00 0.00 C ATOM 315 O GLY A 98 -7.353 7.148 2.483 1.00 0.00 O ATOM 0 H GLY A 98 -9.745 6.324 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.277 7.883 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.340 8.237 1.213 1.00 0.00 H new ATOM 319 N TYR A 99 -7.928 5.303 1.325 1.00 0.00 N ATOM 320 CA TYR A 99 -7.102 4.401 2.127 1.00 0.00 C ATOM 321 C TYR A 99 -6.512 3.307 1.240 1.00 0.00 C ATOM 322 O TYR A 99 -6.758 3.292 0.034 1.00 0.00 O ATOM 323 CB TYR A 99 -7.940 3.792 3.250 1.00 0.00 C ATOM 324 CG TYR A 99 -8.377 4.889 4.194 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.477 5.401 5.137 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.680 5.394 4.124 1.00 0.00 C ATOM 327 CE1 TYR A 99 -7.883 6.417 6.011 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.086 6.410 4.998 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.187 6.922 5.941 1.00 0.00 C ATOM 330 OH TYR A 99 -9.587 7.924 6.802 1.00 0.00 O ATOM 0 H TYR A 99 -8.446 4.844 0.575 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.281 4.964 2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.811 3.284 2.836 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.359 3.043 3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.471 5.013 5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.373 5.000 3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.190 6.811 6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.092 6.798 4.945 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.521 8.159 6.619 1.00 0.00 H new ATOM 340 N ILE A 100 -5.712 2.405 1.825 1.00 0.00 N ATOM 341 CA ILE A 100 -5.081 1.333 1.038 1.00 0.00 C ATOM 342 C ILE A 100 -5.455 -0.055 1.544 1.00 0.00 C ATOM 343 O ILE A 100 -5.193 -0.389 2.701 1.00 0.00 O ATOM 344 CB ILE A 100 -3.570 1.485 1.130 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.167 2.895 0.666 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.889 0.430 0.262 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.558 3.131 -0.799 1.00 0.00 C ATOM 0 H ILE A 100 -5.489 2.393 2.820 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.434 1.425 0.011 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.253 1.345 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.649 3.640 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.091 3.026 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.807 0.544 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.172 -0.564 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.201 0.556 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.260 4.136 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.055 2.400 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.637 3.025 -0.909 1.00 0.00 H new ATOM 359 N SER A 101 -6.047 -0.864 0.650 1.00 0.00 N ATOM 360 CA SER A 101 -6.441 -2.240 0.976 1.00 0.00 C ATOM 361 C SER A 101 -5.424 -3.229 0.410 1.00 0.00 C ATOM 362 O SER A 101 -4.583 -2.870 -0.416 1.00 0.00 O ATOM 363 CB SER A 101 -7.814 -2.558 0.384 1.00 0.00 C ATOM 364 OG SER A 101 -8.111 -3.932 0.600 1.00 0.00 O ATOM 0 H SER A 101 -6.263 -0.585 -0.307 1.00 0.00 H new ATOM 0 HA SER A 101 -6.481 -2.331 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.577 -1.932 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.823 -2.335 -0.683 1.00 0.00 H new ATOM 0 HG SER A 101 -8.992 -4.139 0.223 1.00 0.00 H new ATOM 370 N ALA A 102 -5.509 -4.471 0.869 1.00 0.00 N ATOM 371 CA ALA A 102 -4.598 -5.521 0.423 1.00 0.00 C ATOM 372 C ALA A 102 -4.919 -6.006 -0.988 1.00 0.00 C ATOM 373 O ALA A 102 -4.016 -6.324 -1.759 1.00 0.00 O ATOM 374 CB ALA A 102 -4.658 -6.691 1.422 1.00 0.00 C ATOM 0 H ALA A 102 -6.201 -4.778 1.552 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.590 -5.107 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.981 -7.481 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.361 -6.341 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.675 -7.080 1.466 1.00 0.00 H new ATOM 380 N ALA A 103 -6.193 -6.077 -1.321 1.00 0.00 N ATOM 381 CA ALA A 103 -6.593 -6.548 -2.636 1.00 0.00 C ATOM 382 C ALA A 103 -6.013 -5.674 -3.746 1.00 0.00 C ATOM 383 O ALA A 103 -5.681 -6.165 -4.832 1.00 0.00 O ATOM 384 CB ALA A 103 -8.116 -6.551 -2.724 1.00 0.00 C ATOM 0 H ALA A 103 -6.964 -5.817 -0.706 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.206 -7.558 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.423 -6.904 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.523 -7.212 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.491 -5.540 -2.567 1.00 0.00 H new ATOM 390 N GLU A 104 -5.905 -4.382 -3.482 1.00 0.00 N ATOM 391 CA GLU A 104 -5.380 -3.461 -4.475 1.00 0.00 C ATOM 392 C GLU A 104 -3.909 -3.736 -4.766 1.00 0.00 C ATOM 393 O GLU A 104 -3.451 -3.519 -5.885 1.00 0.00 O ATOM 394 CB GLU A 104 -5.527 -2.025 -3.973 1.00 0.00 C ATOM 395 CG GLU A 104 -7.000 -1.737 -3.705 1.00 0.00 C ATOM 396 CD GLU A 104 -7.168 -0.315 -3.179 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.162 0.359 -3.019 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.298 0.077 -2.938 1.00 0.00 O ATOM 0 H GLU A 104 -6.171 -3.951 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.948 -3.601 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.945 -1.884 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.136 -1.326 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.576 -1.865 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.392 -2.450 -2.980 1.00 0.00 H new ATOM 405 N LEU A 105 -3.170 -4.197 -3.757 1.00 0.00 N ATOM 406 CA LEU A 105 -1.748 -4.469 -3.943 1.00 0.00 C ATOM 407 C LEU A 105 -1.521 -5.604 -4.933 1.00 0.00 C ATOM 408 O LEU A 105 -0.744 -5.465 -5.873 1.00 0.00 O ATOM 409 CB LEU A 105 -1.108 -4.836 -2.613 1.00 0.00 C ATOM 410 CG LEU A 105 -1.432 -3.768 -1.565 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.716 -4.116 -0.259 1.00 0.00 C ATOM 412 CD2 LEU A 105 -0.982 -2.381 -2.061 1.00 0.00 C ATOM 0 H LEU A 105 -3.525 -4.387 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.290 -3.563 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.473 -5.807 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.028 -4.925 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.508 -3.741 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.942 -3.360 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.055 -5.090 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.360 -4.147 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.218 -1.631 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.093 -2.390 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.502 -2.140 -2.988 1.00 0.00 H new ATOM 424 N ARG A 106 -2.185 -6.732 -4.722 1.00 0.00 N ATOM 425 CA ARG A 106 -2.008 -7.863 -5.619 1.00 0.00 C ATOM 426 C ARG A 106 -2.453 -7.516 -7.036 1.00 0.00 C ATOM 427 O ARG A 106 -1.761 -7.842 -8.000 1.00 0.00 O ATOM 428 CB ARG A 106 -2.787 -9.077 -5.100 1.00 0.00 C ATOM 429 CG ARG A 106 -4.236 -8.681 -4.812 1.00 0.00 C ATOM 430 CD ARG A 106 -4.982 -9.872 -4.216 1.00 0.00 C ATOM 431 NE ARG A 106 -6.399 -9.554 -4.065 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.284 -10.475 -3.686 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.891 -11.686 -3.409 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.547 -10.161 -3.587 1.00 0.00 N ATOM 0 H ARG A 106 -2.838 -6.887 -3.954 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.946 -8.109 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.760 -9.880 -5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.319 -9.460 -4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.263 -7.839 -4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.724 -8.355 -5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.864 -10.744 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.554 -10.131 -3.247 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.719 -8.604 -4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.904 -11.931 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.571 -12.389 -3.119 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.855 -9.212 -3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.226 -10.865 -3.297 1.00 0.00 H new ATOM 448 N HIS A 107 -3.608 -6.869 -7.164 1.00 0.00 N ATOM 449 CA HIS A 107 -4.124 -6.503 -8.479 1.00 0.00 C ATOM 450 C HIS A 107 -3.277 -5.426 -9.151 1.00 0.00 C ATOM 451 O HIS A 107 -2.869 -5.583 -10.302 1.00 0.00 O ATOM 452 CB HIS A 107 -5.555 -5.993 -8.322 1.00 0.00 C ATOM 453 CG HIS A 107 -6.110 -5.596 -9.662 1.00 0.00 C ATOM 454 ND1 HIS A 107 -6.989 -4.606 -10.022 1.00 0.00 N flip ATOM 455 CD2 HIS A 107 -5.777 -6.255 -10.836 1.00 0.00 C flip ATOM 456 CE1 HIS A 107 -7.199 -4.644 -11.396 1.00 0.00 C flip ATOM 457 NE2 HIS A 107 -6.447 -5.657 -11.839 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.199 -6.590 -6.381 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.092 -7.390 -9.112 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.179 -6.768 -7.876 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.573 -5.139 -7.644 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -5.104 -7.094 -10.929 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.834 -3.994 -11.980 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -6.388 -5.942 -12.817 1.00 0.00 H new ATOM 466 N VAL A 108 -3.025 -4.329 -8.441 1.00 0.00 N ATOM 467 CA VAL A 108 -2.242 -3.238 -9.012 1.00 0.00 C ATOM 468 C VAL A 108 -0.832 -3.709 -9.365 1.00 0.00 C ATOM 469 O VAL A 108 -0.343 -3.445 -10.457 1.00 0.00 O ATOM 470 CB VAL A 108 -2.190 -2.046 -8.039 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.147 -2.292 -6.951 1.00 0.00 C ATOM 472 CG2 VAL A 108 -1.824 -0.771 -8.806 1.00 0.00 C ATOM 0 H VAL A 108 -3.346 -4.173 -7.485 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.729 -2.911 -9.931 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.170 -1.932 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.122 -1.440 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.407 -3.193 -6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.166 -2.419 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.788 0.071 -8.115 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.849 -0.897 -9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.575 -0.579 -9.573 1.00 0.00 H new ATOM 482 N MET A 109 -0.176 -4.388 -8.434 1.00 0.00 N ATOM 483 CA MET A 109 1.181 -4.862 -8.678 1.00 0.00 C ATOM 484 C MET A 109 1.195 -5.793 -9.884 1.00 0.00 C ATOM 485 O MET A 109 2.047 -5.672 -10.767 1.00 0.00 O ATOM 486 CB MET A 109 1.704 -5.598 -7.447 1.00 0.00 C ATOM 487 CG MET A 109 1.892 -4.604 -6.295 1.00 0.00 C ATOM 488 SD MET A 109 3.339 -3.557 -6.618 1.00 0.00 S ATOM 489 CE MET A 109 4.158 -3.749 -5.011 1.00 0.00 C ATOM 0 H MET A 109 -0.554 -4.621 -7.516 1.00 0.00 H new ATOM 0 HA MET A 109 1.826 -4.007 -8.881 1.00 0.00 H new ATOM 0 HB2 MET A 109 1.004 -6.381 -7.155 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.651 -6.086 -7.678 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.001 -3.986 -6.187 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.023 -5.142 -5.356 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.084 -3.173 -5.003 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.499 -3.388 -4.221 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.384 -4.802 -4.841 1.00 0.00 H new ATOM 499 N THR A 110 0.235 -6.706 -9.927 1.00 0.00 N ATOM 500 CA THR A 110 0.135 -7.633 -11.043 1.00 0.00 C ATOM 501 C THR A 110 -0.168 -6.866 -12.330 1.00 0.00 C ATOM 502 O THR A 110 0.427 -7.120 -13.376 1.00 0.00 O ATOM 503 CB THR A 110 -0.969 -8.659 -10.768 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.640 -9.396 -9.597 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.092 -9.616 -11.955 1.00 0.00 C ATOM 0 H THR A 110 -0.479 -6.824 -9.209 1.00 0.00 H new ATOM 0 HA THR A 110 1.084 -8.157 -11.160 1.00 0.00 H new ATOM 0 HB THR A 110 -1.918 -8.143 -10.624 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.264 -9.163 -8.878 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.878 -10.344 -11.755 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.340 -9.051 -12.854 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.145 -10.136 -12.103 1.00 0.00 H new ATOM 513 N ASN A 111 -1.100 -5.923 -12.233 1.00 0.00 N ATOM 514 CA ASN A 111 -1.490 -5.106 -13.380 1.00 0.00 C ATOM 515 C ASN A 111 -0.310 -4.263 -13.844 1.00 0.00 C ATOM 516 O ASN A 111 -0.096 -4.067 -15.041 1.00 0.00 O ATOM 517 CB ASN A 111 -2.652 -4.191 -12.996 1.00 0.00 C ATOM 518 CG ASN A 111 -3.092 -3.363 -14.200 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.797 -3.721 -15.338 1.00 0.00 O ATOM 520 ND2 ASN A 111 -3.785 -2.272 -14.015 1.00 0.00 N ATOM 0 H ASN A 111 -1.600 -5.705 -11.371 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.802 -5.764 -14.191 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.488 -4.787 -12.630 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.351 -3.531 -12.182 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.083 -1.715 -14.816 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.029 -1.977 -13.070 1.00 0.00 H new ATOM 527 N LEU A 112 0.454 -3.780 -12.875 1.00 0.00 N ATOM 528 CA LEU A 112 1.627 -2.967 -13.151 1.00 0.00 C ATOM 529 C LEU A 112 2.652 -3.782 -13.928 1.00 0.00 C ATOM 530 O LEU A 112 3.350 -3.254 -14.792 1.00 0.00 O ATOM 531 CB LEU A 112 2.239 -2.470 -11.828 1.00 0.00 C ATOM 532 CG LEU A 112 1.450 -1.256 -11.298 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.766 -1.054 -9.811 1.00 0.00 C ATOM 534 CD2 LEU A 112 1.829 0.021 -12.074 1.00 0.00 C ATOM 0 H LEU A 112 0.279 -3.940 -11.883 1.00 0.00 H new ATOM 0 HA LEU A 112 1.333 -2.106 -13.752 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.226 -3.272 -11.089 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.282 -2.195 -11.982 1.00 0.00 H new ATOM 0 HG LEU A 112 0.385 -1.447 -11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.209 -0.196 -9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.479 -1.946 -9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.834 -0.876 -9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.261 0.866 -11.684 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.895 0.215 -11.956 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.599 -0.114 -13.131 1.00 0.00 H new ATOM 546 N GLY A 113 2.736 -5.074 -13.614 1.00 0.00 N ATOM 547 CA GLY A 113 3.685 -5.966 -14.291 1.00 0.00 C ATOM 548 C GLY A 113 4.618 -6.631 -13.285 1.00 0.00 C ATOM 549 O GLY A 113 5.364 -7.546 -13.631 1.00 0.00 O ATOM 0 H GLY A 113 2.164 -5.527 -12.901 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.140 -6.729 -14.847 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.269 -5.399 -15.016 1.00 0.00 H new ATOM 553 N GLU A 114 4.572 -6.166 -12.037 1.00 0.00 N ATOM 554 CA GLU A 114 5.419 -6.725 -10.980 1.00 0.00 C ATOM 555 C GLU A 114 4.668 -7.805 -10.200 1.00 0.00 C ATOM 556 O GLU A 114 3.784 -7.507 -9.398 1.00 0.00 O ATOM 557 CB GLU A 114 5.857 -5.606 -10.031 1.00 0.00 C ATOM 558 CG GLU A 114 6.833 -4.679 -10.760 1.00 0.00 C ATOM 559 CD GLU A 114 7.184 -3.487 -9.876 1.00 0.00 C ATOM 560 OE1 GLU A 114 6.704 -3.441 -8.756 1.00 0.00 O ATOM 561 OE2 GLU A 114 7.929 -2.635 -10.335 1.00 0.00 O ATOM 0 H GLU A 114 3.961 -5.408 -11.733 1.00 0.00 H new ATOM 0 HA GLU A 114 6.297 -7.180 -11.438 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.989 -5.043 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.331 -6.029 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.739 -5.226 -11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.389 -4.331 -11.693 1.00 0.00 H new ATOM 568 N LYS A 115 5.029 -9.064 -10.452 1.00 0.00 N ATOM 569 CA LYS A 115 4.391 -10.199 -9.780 1.00 0.00 C ATOM 570 C LYS A 115 4.526 -10.083 -8.263 1.00 0.00 C ATOM 571 O LYS A 115 5.487 -9.504 -7.761 1.00 0.00 O ATOM 572 CB LYS A 115 5.023 -11.509 -10.258 1.00 0.00 C ATOM 573 CG LYS A 115 6.517 -11.513 -9.931 1.00 0.00 C ATOM 574 CD LYS A 115 7.152 -12.791 -10.480 1.00 0.00 C ATOM 575 CE LYS A 115 8.650 -12.794 -10.170 1.00 0.00 C ATOM 576 NZ LYS A 115 9.270 -14.029 -10.730 1.00 0.00 N ATOM 0 H LYS A 115 5.759 -9.324 -11.115 1.00 0.00 H new ATOM 0 HA LYS A 115 3.330 -10.193 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.534 -12.356 -9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.876 -11.624 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 115 6.999 -10.638 -10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.665 -11.454 -8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.677 -13.665 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.993 -12.855 -11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.123 -11.910 -10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.810 -12.750 -9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.289 -14.032 -10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.825 -14.866 -10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.129 -14.052 -11.760 1.00 0.00 H new ATOM 590 N LEU A 116 3.563 -10.656 -7.535 1.00 0.00 N ATOM 591 CA LEU A 116 3.590 -10.626 -6.072 1.00 0.00 C ATOM 592 C LEU A 116 2.857 -11.848 -5.499 1.00 0.00 C ATOM 593 O LEU A 116 2.053 -12.475 -6.189 1.00 0.00 O ATOM 594 CB LEU A 116 2.914 -9.325 -5.574 1.00 0.00 C ATOM 595 CG LEU A 116 3.814 -8.581 -4.566 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.952 -7.854 -5.304 1.00 0.00 C ATOM 597 CD2 LEU A 116 2.970 -7.571 -3.764 1.00 0.00 C ATOM 0 H LEU A 116 2.760 -11.143 -7.933 1.00 0.00 H new ATOM 0 HA LEU A 116 4.626 -10.653 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.699 -8.675 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.959 -9.564 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 116 4.253 -9.305 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.580 -7.333 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.554 -8.580 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.530 -7.133 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.608 -7.047 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.519 -6.850 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.184 -8.100 -3.225 1.00 0.00 H new ATOM 609 N THR A 117 3.118 -12.167 -4.229 1.00 0.00 N ATOM 610 CA THR A 117 2.451 -13.291 -3.570 1.00 0.00 C ATOM 611 C THR A 117 1.270 -12.769 -2.751 1.00 0.00 C ATOM 612 O THR A 117 1.434 -11.903 -1.892 1.00 0.00 O ATOM 613 CB THR A 117 3.439 -14.021 -2.647 1.00 0.00 C ATOM 614 OG1 THR A 117 4.249 -13.070 -1.981 1.00 0.00 O ATOM 615 CG2 THR A 117 4.327 -14.954 -3.471 1.00 0.00 C ATOM 0 H THR A 117 3.783 -11.666 -3.640 1.00 0.00 H new ATOM 0 HA THR A 117 2.092 -13.989 -4.326 1.00 0.00 H new ATOM 0 HB THR A 117 2.882 -14.607 -1.916 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.100 -12.975 -2.457 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.025 -15.469 -2.811 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.706 -15.688 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.884 -14.372 -4.205 1.00 0.00 H new ATOM 623 N ASP A 118 0.081 -13.284 -3.045 1.00 0.00 N ATOM 624 CA ASP A 118 -1.127 -12.848 -2.355 1.00 0.00 C ATOM 625 C ASP A 118 -1.006 -13.091 -0.854 1.00 0.00 C ATOM 626 O ASP A 118 -1.397 -12.248 -0.044 1.00 0.00 O ATOM 627 CB ASP A 118 -2.334 -13.619 -2.887 1.00 0.00 C ATOM 628 CG ASP A 118 -2.521 -13.344 -4.373 1.00 0.00 C ATOM 629 OD1 ASP A 118 -2.162 -12.261 -4.807 1.00 0.00 O ATOM 630 OD2 ASP A 118 -3.017 -14.225 -5.059 1.00 0.00 O ATOM 0 H ASP A 118 -0.072 -14.001 -3.754 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.258 -11.781 -2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.194 -14.687 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.231 -13.327 -2.340 1.00 0.00 H new ATOM 635 N GLU A 119 -0.477 -14.255 -0.491 1.00 0.00 N ATOM 636 CA GLU A 119 -0.320 -14.609 0.914 1.00 0.00 C ATOM 637 C GLU A 119 0.533 -13.567 1.630 1.00 0.00 C ATOM 638 O GLU A 119 0.291 -13.244 2.798 1.00 0.00 O ATOM 639 CB GLU A 119 0.340 -15.987 1.025 1.00 0.00 C ATOM 640 CG GLU A 119 -0.590 -17.034 0.415 1.00 0.00 C ATOM 641 CD GLU A 119 0.054 -18.415 0.474 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.155 -18.513 0.990 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.565 -19.356 0.002 1.00 0.00 O ATOM 0 H GLU A 119 -0.152 -14.965 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.303 -14.639 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.299 -15.988 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.541 -16.225 2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.538 -17.045 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.813 -16.773 -0.620 1.00 0.00 H new ATOM 650 N GLU A 120 1.504 -13.010 0.909 1.00 0.00 N ATOM 651 CA GLU A 120 2.353 -11.971 1.484 1.00 0.00 C ATOM 652 C GLU A 120 1.594 -10.651 1.539 1.00 0.00 C ATOM 653 O GLU A 120 1.687 -9.921 2.514 1.00 0.00 O ATOM 654 CB GLU A 120 3.638 -11.786 0.675 1.00 0.00 C ATOM 655 CG GLU A 120 4.524 -13.022 0.828 1.00 0.00 C ATOM 656 CD GLU A 120 5.829 -12.828 0.066 1.00 0.00 C ATOM 657 OE1 GLU A 120 6.009 -11.763 -0.502 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.632 -13.746 0.063 1.00 0.00 O ATOM 0 H GLU A 120 1.720 -13.255 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 120 2.625 -12.284 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.398 -11.626 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.171 -10.899 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.733 -13.201 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.002 -13.902 0.453 1.00 0.00 H new ATOM 665 N VAL A 121 0.830 -10.362 0.491 1.00 0.00 N ATOM 666 CA VAL A 121 0.047 -9.129 0.446 1.00 0.00 C ATOM 667 C VAL A 121 -0.877 -9.058 1.662 1.00 0.00 C ATOM 668 O VAL A 121 -0.785 -8.146 2.483 1.00 0.00 O ATOM 669 CB VAL A 121 -0.790 -9.114 -0.839 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.898 -8.061 -0.753 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.110 -8.795 -2.030 1.00 0.00 C ATOM 0 H VAL A 121 0.735 -10.957 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 121 0.717 -8.270 0.459 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.246 -10.096 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.479 -8.068 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.551 -8.288 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.454 -7.076 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.485 -8.784 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.571 -7.818 -1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.887 -9.555 -2.112 1.00 0.00 H new ATOM 681 N ASP A 122 -1.769 -10.028 1.757 1.00 0.00 N ATOM 682 CA ASP A 122 -2.712 -10.074 2.860 1.00 0.00 C ATOM 683 C ASP A 122 -1.969 -9.986 4.191 1.00 0.00 C ATOM 684 O ASP A 122 -2.362 -9.229 5.076 1.00 0.00 O ATOM 685 CB ASP A 122 -3.501 -11.381 2.787 1.00 0.00 C ATOM 686 CG ASP A 122 -4.597 -11.406 3.845 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.619 -10.510 4.673 1.00 0.00 O ATOM 688 OD2 ASP A 122 -5.400 -12.324 3.811 1.00 0.00 O ATOM 0 H ASP A 122 -1.860 -10.791 1.087 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.396 -9.229 2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.942 -11.491 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.829 -12.227 2.932 1.00 0.00 H new ATOM 693 N GLU A 123 -0.892 -10.756 4.325 1.00 0.00 N ATOM 694 CA GLU A 123 -0.107 -10.742 5.557 1.00 0.00 C ATOM 695 C GLU A 123 0.663 -9.424 5.723 1.00 0.00 C ATOM 696 O GLU A 123 0.833 -8.932 6.840 1.00 0.00 O ATOM 697 CB GLU A 123 0.880 -11.909 5.562 1.00 0.00 C ATOM 698 CG GLU A 123 1.610 -11.957 6.909 1.00 0.00 C ATOM 699 CD GLU A 123 2.561 -13.147 6.943 1.00 0.00 C ATOM 700 OE1 GLU A 123 2.776 -13.737 5.897 1.00 0.00 O ATOM 701 OE2 GLU A 123 3.061 -13.449 8.013 1.00 0.00 O ATOM 0 H GLU A 123 -0.546 -11.390 3.605 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.802 -10.839 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.352 -12.847 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.599 -11.794 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.166 -11.032 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.887 -12.035 7.721 1.00 0.00 H new ATOM 708 N MET A 124 1.147 -8.878 4.611 1.00 0.00 N ATOM 709 CA MET A 124 1.921 -7.634 4.640 1.00 0.00 C ATOM 710 C MET A 124 1.170 -6.536 5.391 1.00 0.00 C ATOM 711 O MET A 124 1.580 -6.124 6.475 1.00 0.00 O ATOM 712 CB MET A 124 2.210 -7.161 3.197 1.00 0.00 C ATOM 713 CG MET A 124 3.570 -7.675 2.712 1.00 0.00 C ATOM 714 SD MET A 124 3.741 -7.287 0.952 1.00 0.00 S ATOM 715 CE MET A 124 5.501 -7.669 0.795 1.00 0.00 C ATOM 0 H MET A 124 1.019 -9.274 3.680 1.00 0.00 H new ATOM 0 HA MET A 124 2.858 -7.832 5.160 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.424 -7.516 2.530 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.194 -6.072 3.157 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.375 -7.210 3.282 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.646 -8.751 2.871 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.821 -7.495 -0.232 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.074 -7.029 1.467 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.671 -8.713 1.056 1.00 0.00 H new ATOM 725 N ILE A 125 0.077 -6.065 4.809 1.00 0.00 N ATOM 726 CA ILE A 125 -0.694 -5.005 5.433 1.00 0.00 C ATOM 727 C ILE A 125 -1.062 -5.390 6.861 1.00 0.00 C ATOM 728 O ILE A 125 -1.030 -4.559 7.765 1.00 0.00 O ATOM 729 CB ILE A 125 -1.978 -4.728 4.619 1.00 0.00 C ATOM 730 CG1 ILE A 125 -1.636 -3.878 3.374 1.00 0.00 C ATOM 731 CG2 ILE A 125 -2.995 -3.983 5.503 1.00 0.00 C ATOM 732 CD1 ILE A 125 -2.904 -3.598 2.555 1.00 0.00 C ATOM 0 H ILE A 125 -0.291 -6.396 3.917 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.085 -4.101 5.455 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.411 -5.673 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.179 -2.938 3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.905 -4.401 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.901 -3.787 4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.240 -4.595 6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.565 -3.038 5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.648 -2.999 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.344 -4.541 2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.622 -3.055 3.170 1.00 0.00 H new ATOM 744 N ARG A 126 -1.436 -6.638 7.050 1.00 0.00 N ATOM 745 CA ARG A 126 -1.839 -7.100 8.365 1.00 0.00 C ATOM 746 C ARG A 126 -0.770 -6.806 9.413 1.00 0.00 C ATOM 747 O ARG A 126 -1.090 -6.417 10.536 1.00 0.00 O ATOM 748 CB ARG A 126 -2.125 -8.603 8.306 1.00 0.00 C ATOM 749 CG ARG A 126 -3.436 -8.861 7.537 1.00 0.00 C ATOM 750 CD ARG A 126 -4.626 -8.803 8.498 1.00 0.00 C ATOM 751 NE ARG A 126 -4.636 -9.992 9.338 1.00 0.00 N ATOM 752 CZ ARG A 126 -5.537 -10.142 10.298 1.00 0.00 C ATOM 753 NH1 ARG A 126 -6.419 -9.206 10.507 1.00 0.00 N ATOM 754 NH2 ARG A 126 -5.538 -11.218 11.031 1.00 0.00 N ATOM 0 H ARG A 126 -1.470 -7.347 6.318 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.741 -6.564 8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.299 -9.120 7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.200 -9.007 9.316 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.558 -8.118 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.397 -9.836 7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.562 -7.909 9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -5.557 -8.735 7.936 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.939 -10.721 9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.414 -8.363 9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -7.115 -9.316 11.245 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.844 -11.948 10.867 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -6.232 -11.331 11.769 1.00 0.00 H new ATOM 768 N GLU A 127 0.497 -6.978 9.052 1.00 0.00 N ATOM 769 CA GLU A 127 1.580 -6.706 9.996 1.00 0.00 C ATOM 770 C GLU A 127 1.862 -5.205 10.085 1.00 0.00 C ATOM 771 O GLU A 127 2.010 -4.658 11.178 1.00 0.00 O ATOM 772 CB GLU A 127 2.842 -7.462 9.584 1.00 0.00 C ATOM 773 CG GLU A 127 2.613 -8.965 9.766 1.00 0.00 C ATOM 774 CD GLU A 127 3.835 -9.742 9.292 1.00 0.00 C ATOM 775 OE1 GLU A 127 4.386 -9.374 8.268 1.00 0.00 O ATOM 776 OE2 GLU A 127 4.202 -10.695 9.961 1.00 0.00 O ATOM 0 H GLU A 127 0.798 -7.298 8.132 1.00 0.00 H new ATOM 0 HA GLU A 127 1.270 -7.051 10.982 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.088 -7.243 8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.689 -7.136 10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.416 -9.186 10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.733 -9.277 9.204 1.00 0.00 H new ATOM 783 N ALA A 128 1.938 -4.547 8.932 1.00 0.00 N ATOM 784 CA ALA A 128 2.207 -3.111 8.902 1.00 0.00 C ATOM 785 C ALA A 128 1.076 -2.340 9.576 1.00 0.00 C ATOM 786 O ALA A 128 1.315 -1.491 10.431 1.00 0.00 O ATOM 787 CB ALA A 128 2.365 -2.636 7.454 1.00 0.00 C ATOM 0 H ALA A 128 1.819 -4.978 8.015 1.00 0.00 H new ATOM 0 HA ALA A 128 3.133 -2.923 9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.565 -1.565 7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.195 -3.165 6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.447 -2.840 6.902 1.00 0.00 H new ATOM 793 N ASP A 129 -0.155 -2.629 9.169 1.00 0.00 N ATOM 794 CA ASP A 129 -1.319 -1.945 9.726 1.00 0.00 C ATOM 795 C ASP A 129 -1.189 -1.815 11.240 1.00 0.00 C ATOM 796 O ASP A 129 -0.900 -2.788 11.934 1.00 0.00 O ATOM 797 CB ASP A 129 -2.590 -2.720 9.384 1.00 0.00 C ATOM 798 CG ASP A 129 -3.814 -1.896 9.755 1.00 0.00 C ATOM 799 OD1 ASP A 129 -3.738 -1.184 10.737 1.00 0.00 O ATOM 800 OD2 ASP A 129 -4.803 -1.987 9.049 1.00 0.00 O ATOM 0 H ASP A 129 -0.373 -3.328 8.459 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.375 -0.947 9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.608 -2.955 8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.603 -3.669 9.920 1.00 0.00 H new ATOM 805 N ILE A 130 -1.389 -0.600 11.741 1.00 0.00 N ATOM 806 CA ILE A 130 -1.277 -0.337 13.179 1.00 0.00 C ATOM 807 C ILE A 130 -2.627 -0.496 13.870 1.00 0.00 C ATOM 808 O ILE A 130 -2.697 -0.889 15.034 1.00 0.00 O ATOM 809 CB ILE A 130 -0.757 1.084 13.410 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.474 1.340 12.530 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.393 1.268 14.888 1.00 0.00 C ATOM 812 CD1 ILE A 130 1.645 0.412 12.891 1.00 0.00 C ATOM 0 H ILE A 130 -1.628 0.217 11.179 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.579 -1.060 13.602 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.536 1.798 13.143 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.207 1.196 11.483 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.788 2.378 12.639 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.023 2.281 15.048 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.277 1.103 15.504 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.381 0.551 15.164 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.494 0.629 12.243 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.931 0.574 13.930 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.341 -0.626 12.756 1.00 0.00 H new ATOM 824 N ASP A 131 -3.696 -0.182 13.147 1.00 0.00 N ATOM 825 CA ASP A 131 -5.047 -0.289 13.700 1.00 0.00 C ATOM 826 C ASP A 131 -5.692 -1.625 13.313 1.00 0.00 C ATOM 827 O ASP A 131 -6.738 -1.994 13.843 1.00 0.00 O ATOM 828 CB ASP A 131 -5.898 0.871 13.172 1.00 0.00 C ATOM 829 CG ASP A 131 -7.233 0.934 13.909 1.00 0.00 C ATOM 830 OD1 ASP A 131 -7.491 0.051 14.709 1.00 0.00 O ATOM 831 OD2 ASP A 131 -7.976 1.870 13.664 1.00 0.00 O ATOM 0 H ASP A 131 -3.658 0.147 12.182 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.988 -0.243 14.787 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.361 1.811 13.299 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.072 0.745 12.103 1.00 0.00 H new ATOM 836 N GLY A 132 -5.062 -2.349 12.386 1.00 0.00 N ATOM 837 CA GLY A 132 -5.593 -3.638 11.946 1.00 0.00 C ATOM 838 C GLY A 132 -7.001 -3.474 11.387 1.00 0.00 C ATOM 839 O GLY A 132 -7.902 -4.244 11.717 1.00 0.00 O ATOM 0 H GLY A 132 -4.194 -2.068 11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.941 -4.065 11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.607 -4.337 12.783 1.00 0.00 H new ATOM 843 N ASP A 133 -7.189 -2.451 10.552 1.00 0.00 N ATOM 844 CA ASP A 133 -8.497 -2.170 9.957 1.00 0.00 C ATOM 845 C ASP A 133 -8.512 -2.544 8.479 1.00 0.00 C ATOM 846 O ASP A 133 -9.134 -1.866 7.661 1.00 0.00 O ATOM 847 CB ASP A 133 -8.816 -0.682 10.117 1.00 0.00 C ATOM 848 CG ASP A 133 -7.796 0.151 9.351 1.00 0.00 C ATOM 849 OD1 ASP A 133 -7.624 -0.104 8.173 1.00 0.00 O ATOM 850 OD2 ASP A 133 -7.211 1.037 9.951 1.00 0.00 O ATOM 0 H ASP A 133 -6.452 -1.803 10.272 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.251 -2.768 10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.820 -0.474 9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.803 -0.409 11.172 1.00 0.00 H new ATOM 855 N GLY A 134 -7.843 -3.644 8.151 1.00 0.00 N ATOM 856 CA GLY A 134 -7.798 -4.129 6.775 1.00 0.00 C ATOM 857 C GLY A 134 -7.281 -3.063 5.827 1.00 0.00 C ATOM 858 O GLY A 134 -7.225 -3.271 4.615 1.00 0.00 O ATOM 0 H GLY A 134 -7.325 -4.216 8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -7.157 -5.009 6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.795 -4.441 6.465 1.00 0.00 H new ATOM 862 N GLN A 135 -6.904 -1.916 6.378 1.00 0.00 N ATOM 863 CA GLN A 135 -6.391 -0.827 5.558 1.00 0.00 C ATOM 864 C GLN A 135 -5.383 -0.003 6.345 1.00 0.00 C ATOM 865 O GLN A 135 -5.368 -0.034 7.573 1.00 0.00 O ATOM 866 CB GLN A 135 -7.544 0.065 5.089 1.00 0.00 C ATOM 867 CG GLN A 135 -8.516 -0.760 4.238 1.00 0.00 C ATOM 868 CD GLN A 135 -9.513 0.148 3.523 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.118 1.018 2.750 1.00 0.00 O ATOM 870 NE2 GLN A 135 -10.791 -0.011 3.732 1.00 0.00 N ATOM 0 H GLN A 135 -6.943 -1.717 7.378 1.00 0.00 H new ATOM 0 HA GLN A 135 -5.893 -1.251 4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.065 0.486 5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.157 0.903 4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -7.959 -1.345 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -9.051 -1.468 4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -11.117 -0.734 4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -11.464 0.587 3.253 1.00 0.00 H new ATOM 879 N VAL A 136 -4.540 0.740 5.629 1.00 0.00 N ATOM 880 CA VAL A 136 -3.541 1.576 6.286 1.00 0.00 C ATOM 881 C VAL A 136 -3.349 2.892 5.529 1.00 0.00 C ATOM 882 O VAL A 136 -3.545 2.957 4.309 1.00 0.00 O ATOM 883 CB VAL A 136 -2.209 0.813 6.378 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.485 -0.665 6.626 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.411 0.968 5.085 1.00 0.00 C ATOM 0 H VAL A 136 -4.529 0.780 4.610 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.889 1.814 7.291 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.627 1.226 7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.541 -1.206 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.035 -0.781 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.077 -1.067 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.472 0.421 5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.989 0.570 4.251 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.202 2.023 4.911 1.00 0.00 H new ATOM 895 N ASN A 137 -2.974 3.934 6.266 1.00 0.00 N ATOM 896 CA ASN A 137 -2.760 5.241 5.660 1.00 0.00 C ATOM 897 C ASN A 137 -1.536 5.199 4.756 1.00 0.00 C ATOM 898 O ASN A 137 -1.172 4.142 4.239 1.00 0.00 O ATOM 899 CB ASN A 137 -2.569 6.307 6.736 1.00 0.00 C ATOM 900 CG ASN A 137 -3.765 6.301 7.678 1.00 0.00 C ATOM 901 OD1 ASN A 137 -4.901 6.498 7.245 1.00 0.00 O ATOM 902 ND2 ASN A 137 -3.578 6.078 8.947 1.00 0.00 N ATOM 0 H ASN A 137 -2.814 3.899 7.273 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.639 5.496 5.068 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.653 6.115 7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.461 7.289 6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.373 6.066 9.585 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.636 5.915 9.303 1.00 0.00 H new ATOM 909 N TYR A 138 -0.908 6.352 4.550 1.00 0.00 N ATOM 910 CA TYR A 138 0.266 6.427 3.688 1.00 0.00 C ATOM 911 C TYR A 138 1.541 6.007 4.426 1.00 0.00 C ATOM 912 O TYR A 138 2.273 5.142 3.957 1.00 0.00 O ATOM 913 CB TYR A 138 0.420 7.859 3.163 1.00 0.00 C ATOM 914 CG TYR A 138 -0.948 8.434 2.857 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.842 7.725 2.045 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.324 9.675 3.388 1.00 0.00 C ATOM 917 CE1 TYR A 138 -3.109 8.255 1.765 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.590 10.206 3.106 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.483 9.494 2.296 1.00 0.00 C ATOM 920 OH TYR A 138 -4.734 10.014 2.019 1.00 0.00 O ATOM 0 H TYR A 138 -1.189 7.241 4.964 1.00 0.00 H new ATOM 0 HA TYR A 138 0.121 5.735 2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.929 8.477 3.903 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.038 7.864 2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.555 6.768 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.637 10.223 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.797 7.706 1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.877 11.164 3.513 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.031 10.570 2.770 1.00 0.00 H new ATOM 930 N GLU A 139 1.807 6.621 5.578 1.00 0.00 N ATOM 931 CA GLU A 139 3.014 6.293 6.345 1.00 0.00 C ATOM 932 C GLU A 139 3.061 4.803 6.663 1.00 0.00 C ATOM 933 O GLU A 139 3.928 4.075 6.149 1.00 0.00 O ATOM 934 CB GLU A 139 3.055 7.119 7.628 1.00 0.00 C ATOM 935 CG GLU A 139 3.303 8.579 7.255 1.00 0.00 C ATOM 936 CD GLU A 139 3.268 9.457 8.496 1.00 0.00 C ATOM 937 OE1 GLU A 139 3.115 8.917 9.578 1.00 0.00 O ATOM 938 OE2 GLU A 139 3.397 10.661 8.346 1.00 0.00 O ATOM 0 H GLU A 139 1.215 7.338 5.998 1.00 0.00 H new ATOM 0 HA GLU A 139 3.889 6.537 5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.116 7.021 8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.844 6.757 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.270 8.675 6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.547 8.913 6.544 1.00 0.00 H new ATOM 945 N GLU A 140 2.143 4.377 7.542 1.00 0.00 N ATOM 946 CA GLU A 140 2.053 2.972 7.968 1.00 0.00 C ATOM 947 C GLU A 140 2.457 2.055 6.812 1.00 0.00 C ATOM 948 O GLU A 140 2.972 0.955 7.016 1.00 0.00 O ATOM 949 CB GLU A 140 0.608 2.635 8.373 1.00 0.00 C ATOM 950 CG GLU A 140 0.198 3.436 9.612 1.00 0.00 C ATOM 951 CD GLU A 140 -1.262 3.156 9.955 1.00 0.00 C ATOM 952 OE1 GLU A 140 -1.869 2.355 9.261 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.752 3.748 10.904 1.00 0.00 O ATOM 0 H GLU A 140 1.449 4.988 7.974 1.00 0.00 H new ATOM 0 HA GLU A 140 2.720 2.824 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.069 2.858 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.521 1.568 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.836 3.169 10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.339 4.501 9.430 1.00 0.00 H new ATOM 960 N PHE A 141 2.248 2.563 5.596 1.00 0.00 N ATOM 961 CA PHE A 141 2.612 1.851 4.379 1.00 0.00 C ATOM 962 C PHE A 141 4.057 2.170 3.984 1.00 0.00 C ATOM 963 O PHE A 141 4.875 1.264 3.817 1.00 0.00 O ATOM 964 CB PHE A 141 1.677 2.269 3.226 1.00 0.00 C ATOM 965 CG PHE A 141 1.567 1.137 2.231 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.698 0.710 1.525 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.339 0.505 2.031 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.593 -0.353 0.620 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.234 -0.551 1.130 1.00 0.00 C ATOM 970 CZ PHE A 141 1.360 -0.984 0.424 1.00 0.00 C ATOM 0 H PHE A 141 1.823 3.476 5.432 1.00 0.00 H new ATOM 0 HA PHE A 141 2.516 0.782 4.567 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.691 2.521 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.064 3.162 2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.649 1.199 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.532 0.836 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.463 -0.686 0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.719 -1.036 0.976 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.278 -1.805 -0.272 1.00 0.00 H new ATOM 980 N VAL A 142 4.348 3.470 3.803 1.00 0.00 N ATOM 981 CA VAL A 142 5.692 3.915 3.390 1.00 0.00 C ATOM 982 C VAL A 142 6.752 3.008 3.989 1.00 0.00 C ATOM 983 O VAL A 142 7.512 2.364 3.268 1.00 0.00 O ATOM 984 CB VAL A 142 5.942 5.367 3.838 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.428 5.731 3.677 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.096 6.319 2.983 1.00 0.00 C ATOM 0 H VAL A 142 3.677 4.227 3.935 1.00 0.00 H new ATOM 0 HA VAL A 142 5.749 3.866 2.303 1.00 0.00 H new ATOM 0 HB VAL A 142 5.664 5.461 4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.587 6.760 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.035 5.062 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.716 5.628 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.273 7.347 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.373 6.210 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.040 6.078 3.106 1.00 0.00 H new ATOM 996 N GLN A 143 6.808 2.965 5.314 1.00 0.00 N ATOM 997 CA GLN A 143 7.795 2.131 5.989 1.00 0.00 C ATOM 998 C GLN A 143 7.892 0.763 5.312 1.00 0.00 C ATOM 999 O GLN A 143 8.918 0.425 4.721 1.00 0.00 O ATOM 1000 CB GLN A 143 7.400 1.956 7.455 1.00 0.00 C ATOM 1001 CG GLN A 143 8.430 1.080 8.172 1.00 0.00 C ATOM 1002 CD GLN A 143 8.144 1.073 9.669 1.00 0.00 C ATOM 1003 OE1 GLN A 143 6.990 0.940 10.082 1.00 0.00 O ATOM 1004 NE2 GLN A 143 9.127 1.205 10.514 1.00 0.00 N ATOM 0 H GLN A 143 6.192 3.489 5.935 1.00 0.00 H new ATOM 0 HA GLN A 143 8.768 2.618 5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 143 7.336 2.929 7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 143 6.412 1.500 7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.393 0.064 7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 143 9.435 1.457 7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 143 10.082 1.315 10.172 1.00 0.00 H new ATOM 0 HE22 GLN A 143 8.942 1.198 11.517 1.00 0.00 H new ATOM 1013 N MET A 144 6.823 -0.019 5.410 1.00 0.00 N ATOM 1014 CA MET A 144 6.805 -1.352 4.809 1.00 0.00 C ATOM 1015 C MET A 144 7.397 -1.307 3.399 1.00 0.00 C ATOM 1016 O MET A 144 8.275 -2.098 3.063 1.00 0.00 O ATOM 1017 CB MET A 144 5.364 -1.878 4.753 1.00 0.00 C ATOM 1018 CG MET A 144 5.370 -3.407 4.630 1.00 0.00 C ATOM 1019 SD MET A 144 5.709 -4.135 6.259 1.00 0.00 S ATOM 1020 CE MET A 144 4.404 -5.388 6.250 1.00 0.00 C ATOM 0 H MET A 144 5.964 0.241 5.895 1.00 0.00 H new ATOM 0 HA MET A 144 7.409 -2.022 5.421 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.823 -1.579 5.651 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.840 -1.438 3.904 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.409 -3.757 4.255 1.00 0.00 H new ATOM 0 HG3 MET A 144 6.127 -3.723 3.912 1.00 0.00 H new ATOM 0 HE1 MET A 144 4.039 -5.540 7.266 1.00 0.00 H new ATOM 0 HE2 MET A 144 3.583 -5.054 5.615 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.803 -6.326 5.864 1.00 0.00 H new ATOM 1030 N MET A 145 6.892 -0.380 2.579 1.00 0.00 N ATOM 1031 CA MET A 145 7.362 -0.236 1.196 1.00 0.00 C ATOM 1032 C MET A 145 8.868 -0.492 1.102 1.00 0.00 C ATOM 1033 O MET A 145 9.669 0.269 1.646 1.00 0.00 O ATOM 1034 CB MET A 145 7.052 1.186 0.681 1.00 0.00 C ATOM 1035 CG MET A 145 6.979 1.199 -0.857 1.00 0.00 C ATOM 1036 SD MET A 145 7.456 2.837 -1.475 1.00 0.00 S ATOM 1037 CE MET A 145 5.919 3.705 -1.075 1.00 0.00 C ATOM 0 H MET A 145 6.161 0.279 2.846 1.00 0.00 H new ATOM 0 HA MET A 145 6.843 -0.972 0.582 1.00 0.00 H new ATOM 0 HB2 MET A 145 6.107 1.532 1.099 1.00 0.00 H new ATOM 0 HB3 MET A 145 7.823 1.878 1.020 1.00 0.00 H new ATOM 0 HG2 MET A 145 7.640 0.437 -1.269 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.969 0.955 -1.185 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.050 4.774 -1.246 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.115 3.332 -1.709 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.666 3.533 -0.029 1.00 0.00 H new ATOM 1047 N THR A 146 9.246 -1.562 0.407 1.00 0.00 N ATOM 1048 CA THR A 146 10.660 -1.901 0.246 1.00 0.00 C ATOM 1049 C THR A 146 11.227 -1.260 -1.017 1.00 0.00 C ATOM 1050 O THR A 146 12.348 -0.754 -1.019 1.00 0.00 O ATOM 1051 CB THR A 146 10.829 -3.420 0.168 1.00 0.00 C ATOM 1052 OG1 THR A 146 10.472 -3.866 -1.132 1.00 0.00 O ATOM 1053 CG2 THR A 146 9.925 -4.089 1.206 1.00 0.00 C ATOM 0 H THR A 146 8.600 -2.205 -0.051 1.00 0.00 H new ATOM 0 HA THR A 146 11.204 -1.518 1.109 1.00 0.00 H new ATOM 0 HB THR A 146 11.867 -3.683 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 146 10.581 -4.838 -1.186 1.00 0.00 H new ATOM 0 HG21 THR A 146 10.046 -5.171 1.150 1.00 0.00 H new ATOM 0 HG22 THR A 146 10.199 -3.744 2.203 1.00 0.00 H new ATOM 0 HG23 THR A 146 8.886 -3.829 1.005 1.00 0.00 H new ATOM 1061 N ALA A 147 10.442 -1.287 -2.090 1.00 0.00 N ATOM 1062 CA ALA A 147 10.880 -0.705 -3.353 1.00 0.00 C ATOM 1063 C ALA A 147 11.347 0.731 -3.140 1.00 0.00 C ATOM 1064 O ALA A 147 10.623 1.548 -2.569 1.00 0.00 O ATOM 1065 CB ALA A 147 9.726 -0.724 -4.358 1.00 0.00 C ATOM 0 H ALA A 147 9.510 -1.701 -2.111 1.00 0.00 H new ATOM 0 HA ALA A 147 11.711 -1.294 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 147 10.057 -0.288 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 147 9.407 -1.753 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 147 8.891 -0.145 -3.964 1.00 0.00 H new ATOM 1071 N LYS A 148 12.560 1.033 -3.599 1.00 0.00 N ATOM 1072 CA LYS A 148 13.118 2.373 -3.448 1.00 0.00 C ATOM 1073 C LYS A 148 14.437 2.489 -4.212 1.00 0.00 C ATOM 1074 O LYS A 148 14.713 3.562 -4.721 1.00 0.00 O ATOM 1075 CB LYS A 148 13.344 2.677 -1.951 1.00 0.00 C ATOM 1076 CG LYS A 148 13.228 4.187 -1.683 1.00 0.00 C ATOM 1077 CD LYS A 148 13.267 4.456 -0.169 1.00 0.00 C ATOM 1078 CE LYS A 148 14.699 4.314 0.364 1.00 0.00 C ATOM 1079 NZ LYS A 148 14.756 4.820 1.768 1.00 0.00 N ATOM 1080 OXT LYS A 148 15.149 1.499 -4.274 1.00 0.00 O ATOM 0 H LYS A 148 13.172 0.371 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 148 12.415 3.097 -3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 148 12.612 2.138 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 148 14.329 2.323 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 148 14.044 4.716 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 148 12.299 4.569 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 148 12.893 5.459 0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 148 12.609 3.757 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 148 15.010 3.270 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 148 15.391 4.874 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 15.726 4.725 2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 14.475 5.821 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 14.107 4.267 2.363 1.00 0.00 H new TER 1094 LYS A 148 HETATM 1095 CA CA A 201 -8.546 1.100 -0.252 1.00 0.00 CA HETATM 1096 CA CA A 202 -4.553 1.072 9.779 1.00 0.00 CA