USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 393 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 18 MET CE :methyl 155:sc= -9.29! (180deg=-2.07!) USER MOD Set 1.2: B 118 MET CE :methyl 158:sc= -9.9! (180deg=-1.98!) USER MOD Set 1.3: C 218 MET CE :methyl 170:sc= -9.55! (180deg=-2.07!) USER MOD Single : A 3 THR OG1 : rot -100:sc= -0.545 USER MOD Single : A 4 ASN : amide:sc= -1.09! K(o=-1.1!,f=-0.37) USER MOD Single : A 13 THR OG1 : rot 92:sc= 1.15 USER MOD Single : B 103 THR OG1 : rot -100:sc= -0.368 USER MOD Single : B 104 ASN : amide:sc= -1.08! K(o=-1.1!,f=-0.38) USER MOD Single : B 113 THR OG1 : rot 94:sc= 1.19 USER MOD Single : C 203 THR OG1 : rot -100:sc= -0.453 USER MOD Single : C 204 ASN : amide:sc= -1.03! K(o=-1!,f=-0.3) USER MOD Single : C 213 THR OG1 : rot 92:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 3 -0.934 -3.617 -1.353 1.00 0.00 N ATOM 39 CA THR A 3 -2.364 -3.663 -1.586 1.00 0.00 C ATOM 40 C THR A 3 -2.680 -3.127 -2.974 1.00 0.00 C ATOM 41 O THR A 3 -3.618 -3.586 -3.622 1.00 0.00 O ATOM 42 CB THR A 3 -3.078 -2.843 -0.515 1.00 0.00 C ATOM 43 OG1 THR A 3 -4.461 -2.816 -0.789 1.00 0.00 O ATOM 44 CG2 THR A 3 -2.531 -1.419 -0.514 1.00 0.00 C ATOM 0 HA THR A 3 -2.712 -4.694 -1.530 1.00 0.00 H new ATOM 0 HB THR A 3 -2.910 -3.296 0.462 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.692 -1.967 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.041 -0.834 0.251 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.462 -1.440 -0.302 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.698 -0.964 -1.490 1.00 0.00 H new ATOM 52 N ASN A 4 -1.892 -2.151 -3.431 1.00 0.00 N ATOM 53 CA ASN A 4 -2.091 -1.558 -4.738 1.00 0.00 C ATOM 54 C ASN A 4 -2.387 -2.646 -5.761 1.00 0.00 C ATOM 55 O ASN A 4 -3.366 -2.560 -6.499 1.00 0.00 O ATOM 56 CB ASN A 4 -0.846 -0.770 -5.133 1.00 0.00 C ATOM 57 CG ASN A 4 -0.725 -0.665 -6.646 1.00 0.00 C ATOM 58 OD1 ASN A 4 0.358 -0.845 -7.198 1.00 0.00 O ATOM 59 ND2 ASN A 4 -1.842 -0.376 -7.317 1.00 0.00 N ATOM 0 H ASN A 4 -1.110 -1.759 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.942 -0.877 -4.706 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.890 0.228 -4.698 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.041 -1.256 -4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.820 -0.296 -8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.718 -0.235 -6.813 1.00 0.00 H new ATOM 66 N LEU A 5 -1.535 -3.673 -5.803 1.00 0.00 N ATOM 67 CA LEU A 5 -1.707 -4.772 -6.732 1.00 0.00 C ATOM 68 C LEU A 5 -3.171 -5.184 -6.780 1.00 0.00 C ATOM 69 O LEU A 5 -3.742 -5.333 -7.858 1.00 0.00 O ATOM 70 CB LEU A 5 -0.830 -5.944 -6.300 1.00 0.00 C ATOM 71 CG LEU A 5 0.561 -5.790 -6.907 1.00 0.00 C ATOM 72 CD1 LEU A 5 1.403 -7.018 -6.570 1.00 0.00 C ATOM 73 CD2 LEU A 5 0.442 -5.655 -8.423 1.00 0.00 C ATOM 0 H LEU A 5 -0.718 -3.758 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.406 -4.458 -7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.762 -5.980 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.277 -6.884 -6.622 1.00 0.00 H new ATOM 0 HG LEU A 5 1.039 -4.899 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.397 -6.908 -7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.488 -7.115 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.926 -7.909 -6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.436 -5.545 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.036 -6.546 -8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.159 -4.778 -8.664 1.00 0.00 H new ATOM 85 N GLU A 6 -3.780 -5.367 -5.606 1.00 0.00 N ATOM 86 CA GLU A 6 -5.173 -5.758 -5.523 1.00 0.00 C ATOM 87 C GLU A 6 -6.057 -4.657 -6.093 1.00 0.00 C ATOM 88 O GLU A 6 -7.118 -4.933 -6.647 1.00 0.00 O ATOM 89 CB GLU A 6 -5.534 -6.042 -4.068 1.00 0.00 C ATOM 90 CG GLU A 6 -4.822 -7.310 -3.605 1.00 0.00 C ATOM 91 CD GLU A 6 -3.334 -7.242 -3.914 1.00 0.00 C ATOM 92 OE1 GLU A 6 -2.926 -7.904 -4.893 1.00 0.00 O ATOM 93 OE2 GLU A 6 -2.631 -6.528 -3.166 1.00 0.00 O ATOM 0 H GLU A 6 -3.322 -5.248 -4.703 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.335 -6.663 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.245 -5.200 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.613 -6.160 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.969 -7.443 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.260 -8.178 -4.097 1.00 0.00 H new ATOM 101 N ILE A 7 -5.614 -3.405 -5.955 1.00 0.00 N ATOM 102 CA ILE A 7 -6.361 -2.269 -6.455 1.00 0.00 C ATOM 103 C ILE A 7 -6.431 -2.328 -7.975 1.00 0.00 C ATOM 104 O ILE A 7 -7.397 -1.858 -8.572 1.00 0.00 O ATOM 105 CB ILE A 7 -5.691 -0.978 -5.994 1.00 0.00 C ATOM 106 CG1 ILE A 7 -5.388 -1.066 -4.501 1.00 0.00 C ATOM 107 CG2 ILE A 7 -6.624 0.201 -6.256 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.108 0.332 -3.955 1.00 0.00 C ATOM 0 H ILE A 7 -4.736 -3.161 -5.497 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.378 -2.295 -6.062 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.761 -0.835 -6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.231 -1.512 -3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.528 -1.713 -4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.146 1.124 -5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.839 0.264 -7.323 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.554 0.058 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.892 0.269 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.251 0.761 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.981 0.965 -4.111 1.00 0.00 H new ATOM 120 N ILE A 8 -5.404 -2.909 -8.600 1.00 0.00 N ATOM 121 CA ILE A 8 -5.354 -3.028 -10.043 1.00 0.00 C ATOM 122 C ILE A 8 -6.273 -4.153 -10.499 1.00 0.00 C ATOM 123 O ILE A 8 -6.986 -4.011 -11.489 1.00 0.00 O ATOM 124 CB ILE A 8 -3.916 -3.293 -10.482 1.00 0.00 C ATOM 125 CG1 ILE A 8 -3.067 -2.052 -10.219 1.00 0.00 C ATOM 126 CG2 ILE A 8 -3.891 -3.620 -11.972 1.00 0.00 C ATOM 127 CD1 ILE A 8 -1.589 -2.432 -10.245 1.00 0.00 C ATOM 0 H ILE A 8 -4.596 -3.304 -8.118 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.694 -2.099 -10.501 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.513 -4.135 -9.919 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.271 -1.292 -10.973 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.325 -1.620 -9.252 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.864 -3.809 -12.286 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.497 -4.506 -12.160 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.293 -2.779 -12.536 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.982 -1.546 -10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.391 -3.177 -9.475 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.336 -2.844 -11.222 1.00 0.00 H new ATOM 139 N ILE A 9 -6.255 -5.273 -9.772 1.00 0.00 N ATOM 140 CA ILE A 9 -7.085 -6.414 -10.102 1.00 0.00 C ATOM 141 C ILE A 9 -8.519 -6.150 -9.665 1.00 0.00 C ATOM 142 O ILE A 9 -9.453 -6.736 -10.209 1.00 0.00 O ATOM 143 CB ILE A 9 -6.531 -7.661 -9.418 1.00 0.00 C ATOM 144 CG1 ILE A 9 -5.044 -7.797 -9.735 1.00 0.00 C ATOM 145 CG2 ILE A 9 -7.274 -8.892 -9.926 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.360 -8.594 -8.629 1.00 0.00 C ATOM 0 H ILE A 9 -5.668 -5.405 -8.948 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.078 -6.575 -11.180 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.666 -7.574 -8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.910 -8.297 -10.694 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.588 -6.811 -9.823 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.879 -9.783 -9.438 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.336 -8.795 -9.700 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.139 -8.979 -11.004 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.298 -8.692 -8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.483 -8.076 -7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.810 -9.585 -8.563 1.00 0.00 H new ATOM 158 N LEU A 10 -8.693 -5.266 -8.679 1.00 0.00 N ATOM 159 CA LEU A 10 -10.009 -4.930 -8.176 1.00 0.00 C ATOM 160 C LEU A 10 -10.625 -3.832 -9.031 1.00 0.00 C ATOM 161 O LEU A 10 -11.764 -3.951 -9.475 1.00 0.00 O ATOM 162 CB LEU A 10 -9.898 -4.484 -6.721 1.00 0.00 C ATOM 163 CG LEU A 10 -9.734 -5.708 -5.824 1.00 0.00 C ATOM 164 CD1 LEU A 10 -9.859 -5.289 -4.363 1.00 0.00 C ATOM 165 CD2 LEU A 10 -10.818 -6.730 -6.156 1.00 0.00 C ATOM 0 H LEU A 10 -7.929 -4.773 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.655 -5.806 -8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.047 -3.814 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.788 -3.925 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.753 -6.152 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.742 -6.163 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.085 -4.559 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.840 -4.845 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.702 -7.605 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.800 -6.286 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.728 -7.030 -7.200 1.00 0.00 H new ATOM 177 N GLU A 11 -9.865 -2.758 -9.262 1.00 0.00 N ATOM 178 CA GLU A 11 -10.340 -1.647 -10.063 1.00 0.00 C ATOM 179 C GLU A 11 -10.729 -2.136 -11.451 1.00 0.00 C ATOM 180 O GLU A 11 -11.751 -1.724 -11.995 1.00 0.00 O ATOM 181 CB GLU A 11 -9.250 -0.583 -10.150 1.00 0.00 C ATOM 182 CG GLU A 11 -9.127 0.131 -8.807 1.00 0.00 C ATOM 183 CD GLU A 11 -10.276 1.108 -8.604 1.00 0.00 C ATOM 184 OE1 GLU A 11 -10.608 1.356 -7.425 1.00 0.00 O ATOM 185 OE2 GLU A 11 -10.800 1.588 -9.632 1.00 0.00 O ATOM 0 H GLU A 11 -8.918 -2.643 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.222 -1.209 -9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.299 -1.043 -10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.489 0.135 -10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.121 -0.602 -8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.178 0.665 -8.760 1.00 0.00 H new ATOM 193 N GLY A 12 -9.909 -3.020 -12.023 1.00 0.00 N ATOM 194 CA GLY A 12 -10.173 -3.560 -13.342 1.00 0.00 C ATOM 195 C GLY A 12 -11.343 -4.531 -13.291 1.00 0.00 C ATOM 196 O GLY A 12 -12.326 -4.365 -14.010 1.00 0.00 O ATOM 0 H GLY A 12 -9.057 -3.372 -11.586 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.394 -2.750 -14.036 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.286 -4.069 -13.718 1.00 0.00 H new ATOM 200 N THR A 13 -11.236 -5.549 -12.434 1.00 0.00 N ATOM 201 CA THR A 13 -12.284 -6.540 -12.294 1.00 0.00 C ATOM 202 C THR A 13 -13.591 -5.861 -11.907 1.00 0.00 C ATOM 203 O THR A 13 -14.670 -6.383 -12.178 1.00 0.00 O ATOM 204 CB THR A 13 -11.876 -7.565 -11.240 1.00 0.00 C ATOM 205 OG1 THR A 13 -10.800 -8.336 -11.727 1.00 0.00 O ATOM 206 CG2 THR A 13 -13.059 -8.480 -10.935 1.00 0.00 C ATOM 0 H THR A 13 -10.429 -5.701 -11.829 1.00 0.00 H new ATOM 0 HA THR A 13 -12.432 -7.053 -13.244 1.00 0.00 H new ATOM 0 HB THR A 13 -11.572 -7.049 -10.330 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.953 -7.924 -11.456 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.768 -9.212 -10.182 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.892 -7.885 -10.560 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.363 -8.997 -11.845 1.00 0.00 H new ATOM 214 N ALA A 14 -13.489 -4.691 -11.272 1.00 0.00 N ATOM 215 CA ALA A 14 -14.658 -3.946 -10.850 1.00 0.00 C ATOM 216 C ALA A 14 -15.400 -3.418 -12.069 1.00 0.00 C ATOM 217 O ALA A 14 -16.546 -3.791 -12.310 1.00 0.00 O ATOM 218 CB ALA A 14 -14.228 -2.800 -9.939 1.00 0.00 C ATOM 0 H ALA A 14 -12.601 -4.245 -11.042 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.331 -4.600 -10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.107 -2.239 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.718 -3.203 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.552 -2.139 -10.481 1.00 0.00 H new ATOM 224 N VAL A 15 -14.744 -2.547 -12.838 1.00 0.00 N ATOM 225 CA VAL A 15 -15.342 -1.972 -14.026 1.00 0.00 C ATOM 226 C VAL A 15 -15.502 -3.046 -15.093 1.00 0.00 C ATOM 227 O VAL A 15 -16.311 -2.900 -16.006 1.00 0.00 O ATOM 228 CB VAL A 15 -14.467 -0.830 -14.534 1.00 0.00 C ATOM 229 CG1 VAL A 15 -15.290 0.075 -15.447 1.00 0.00 C ATOM 230 CG2 VAL A 15 -13.948 -0.021 -13.349 1.00 0.00 C ATOM 0 H VAL A 15 -13.793 -2.228 -12.651 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.329 -1.576 -13.786 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.624 -1.239 -15.092 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.665 0.891 -15.810 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.661 -0.503 -16.294 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.133 0.484 -14.890 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.323 0.795 -13.711 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.790 0.388 -12.791 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.360 -0.667 -12.697 1.00 0.00 H new ATOM 240 N ILE A 16 -14.727 -4.127 -14.975 1.00 0.00 N ATOM 241 CA ILE A 16 -14.786 -5.219 -15.925 1.00 0.00 C ATOM 242 C ILE A 16 -16.025 -6.065 -15.661 1.00 0.00 C ATOM 243 O ILE A 16 -16.922 -6.132 -16.498 1.00 0.00 O ATOM 244 CB ILE A 16 -13.520 -6.063 -15.809 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.362 -5.339 -16.490 1.00 0.00 C ATOM 246 CG2 ILE A 16 -13.744 -7.412 -16.485 1.00 0.00 C ATOM 247 CD1 ILE A 16 -11.041 -5.826 -15.901 1.00 0.00 C ATOM 0 H ILE A 16 -14.051 -4.261 -14.223 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.850 -4.822 -16.938 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.283 -6.219 -14.757 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.384 -5.525 -17.564 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.460 -4.262 -16.351 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.840 -8.015 -16.402 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.571 -7.930 -15.999 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.981 -7.257 -17.537 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.213 -5.309 -16.387 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.021 -5.618 -14.831 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.944 -6.899 -16.063 1.00 0.00 H new ATOM 259 N ALA A 17 -16.072 -6.710 -14.493 1.00 0.00 N ATOM 260 CA ALA A 17 -17.197 -7.547 -14.127 1.00 0.00 C ATOM 261 C ALA A 17 -18.496 -6.778 -14.322 1.00 0.00 C ATOM 262 O ALA A 17 -19.519 -7.361 -14.673 1.00 0.00 O ATOM 263 CB ALA A 17 -17.046 -7.994 -12.676 1.00 0.00 C ATOM 0 H ALA A 17 -15.337 -6.663 -13.788 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.221 -8.430 -14.765 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -17.892 -8.624 -12.399 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -16.121 -8.559 -12.564 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.018 -7.119 -12.027 1.00 0.00 H new ATOM 269 N MET A 18 -18.453 -5.463 -14.093 1.00 0.00 N ATOM 270 CA MET A 18 -19.625 -4.625 -14.243 1.00 0.00 C ATOM 271 C MET A 18 -20.007 -4.525 -15.713 1.00 0.00 C ATOM 272 O MET A 18 -21.108 -4.909 -16.100 1.00 0.00 O ATOM 273 CB MET A 18 -19.337 -3.242 -13.665 1.00 0.00 C ATOM 274 CG MET A 18 -19.728 -3.215 -12.190 1.00 0.00 C ATOM 275 SD MET A 18 -19.822 -1.551 -11.485 1.00 0.00 S ATOM 276 CE MET A 18 -20.549 -0.679 -12.895 1.00 0.00 C ATOM 0 H MET A 18 -17.613 -4.963 -13.803 1.00 0.00 H new ATOM 0 HA MET A 18 -20.462 -5.066 -13.701 1.00 0.00 H new ATOM 0 HB2 MET A 18 -18.279 -3.003 -13.776 1.00 0.00 H new ATOM 0 HB3 MET A 18 -19.895 -2.483 -14.214 1.00 0.00 H new ATOM 0 HG2 MET A 18 -20.695 -3.704 -12.072 1.00 0.00 H new ATOM 0 HG3 MET A 18 -19.004 -3.799 -11.622 1.00 0.00 H new ATOM 0 HE1 MET A 18 -21.081 0.204 -12.542 1.00 0.00 H new ATOM 0 HE2 MET A 18 -19.759 -0.376 -13.582 1.00 0.00 H new ATOM 0 HE3 MET A 18 -21.245 -1.340 -13.412 1.00 0.00 H new ATOM 656 N THR B 103 -8.160 -4.146 6.086 1.00 0.00 N ATOM 657 CA THR B 103 -8.484 -4.187 4.674 1.00 0.00 C ATOM 658 C THR B 103 -9.519 -3.119 4.348 1.00 0.00 C ATOM 659 O THR B 103 -9.509 -2.551 3.258 1.00 0.00 O ATOM 660 CB THR B 103 -9.008 -5.574 4.314 1.00 0.00 C ATOM 661 OG1 THR B 103 -9.405 -5.589 2.961 1.00 0.00 O ATOM 662 CG2 THR B 103 -10.204 -5.912 5.199 1.00 0.00 C ATOM 0 HA THR B 103 -7.588 -3.986 4.087 1.00 0.00 H new ATOM 0 HB THR B 103 -8.221 -6.312 4.470 1.00 0.00 H new ATOM 0 HG1 THR B 103 -10.379 -5.494 2.905 1.00 0.00 H new ATOM 0 HG21 THR B 103 -10.578 -6.903 4.942 1.00 0.00 H new ATOM 0 HG22 THR B 103 -9.898 -5.900 6.245 1.00 0.00 H new ATOM 0 HG23 THR B 103 -10.992 -5.175 5.043 1.00 0.00 H new ATOM 670 N ASN B 104 -10.414 -2.846 5.300 1.00 0.00 N ATOM 671 CA ASN B 104 -11.449 -1.849 5.112 1.00 0.00 C ATOM 672 C ASN B 104 -10.864 -0.615 4.440 1.00 0.00 C ATOM 673 O ASN B 104 -11.394 -0.139 3.438 1.00 0.00 O ATOM 674 CB ASN B 104 -12.060 -1.490 6.463 1.00 0.00 C ATOM 675 CG ASN B 104 -12.655 -0.090 6.436 1.00 0.00 C ATOM 676 OD1 ASN B 104 -12.466 0.685 7.371 1.00 0.00 O ATOM 677 ND2 ASN B 104 -13.374 0.234 5.359 1.00 0.00 N ATOM 0 H ASN B 104 -10.436 -3.308 6.209 1.00 0.00 H new ATOM 0 HA ASN B 104 -12.232 -2.251 4.469 1.00 0.00 H new ATOM 0 HB2 ASN B 104 -12.834 -2.213 6.720 1.00 0.00 H new ATOM 0 HB3 ASN B 104 -11.297 -1.550 7.239 1.00 0.00 H new ATOM 0 HD21 ASN B 104 -13.795 1.160 5.287 1.00 0.00 H new ATOM 0 HD22 ASN B 104 -13.502 -0.445 4.608 1.00 0.00 H new ATOM 684 N LEU B 105 -9.766 -0.097 4.995 1.00 0.00 N ATOM 685 CA LEU B 105 -9.113 1.076 4.450 1.00 0.00 C ATOM 686 C LEU B 105 -9.045 0.971 2.933 1.00 0.00 C ATOM 687 O LEU B 105 -9.393 1.914 2.226 1.00 0.00 O ATOM 688 CB LEU B 105 -7.714 1.203 5.046 1.00 0.00 C ATOM 689 CG LEU B 105 -7.788 1.985 6.354 1.00 0.00 C ATOM 690 CD1 LEU B 105 -6.378 2.211 6.892 1.00 0.00 C ATOM 691 CD2 LEU B 105 -8.460 3.332 6.104 1.00 0.00 C ATOM 0 H LEU B 105 -9.315 -0.480 5.826 1.00 0.00 H new ATOM 0 HA LEU B 105 -9.685 1.967 4.708 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -7.292 0.214 5.224 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -7.052 1.710 4.344 1.00 0.00 H new ATOM 0 HG LEU B 105 -8.368 1.420 7.083 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -6.430 2.770 7.826 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -5.898 1.249 7.071 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -5.797 2.776 6.163 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -8.513 3.891 7.038 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -7.880 3.898 5.375 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -9.467 3.170 5.720 1.00 0.00 H new ATOM 703 N GLU B 106 -8.594 -0.182 2.433 1.00 0.00 N ATOM 704 CA GLU B 106 -8.485 -0.402 1.005 1.00 0.00 C ATOM 705 C GLU B 106 -9.867 -0.379 0.368 1.00 0.00 C ATOM 706 O GLU B 106 -10.018 0.022 -0.784 1.00 0.00 O ATOM 707 CB GLU B 106 -7.794 -1.738 0.750 1.00 0.00 C ATOM 708 CG GLU B 106 -6.329 -1.642 1.167 1.00 0.00 C ATOM 709 CD GLU B 106 -6.202 -1.094 2.581 1.00 0.00 C ATOM 710 OE1 GLU B 106 -5.852 0.100 2.698 1.00 0.00 O ATOM 711 OE2 GLU B 106 -6.457 -1.880 3.519 1.00 0.00 O ATOM 0 H GLU B 106 -8.300 -0.974 3.005 1.00 0.00 H new ATOM 0 HA GLU B 106 -7.890 0.393 0.556 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -8.291 -2.529 1.311 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -7.866 -2.001 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -5.866 -2.627 1.111 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -5.791 -0.997 0.473 1.00 0.00 H new ATOM 719 N ILE B 107 -10.879 -0.812 1.124 1.00 0.00 N ATOM 720 CA ILE B 107 -12.244 -0.839 0.636 1.00 0.00 C ATOM 721 C ILE B 107 -12.728 0.582 0.384 1.00 0.00 C ATOM 722 O ILE B 107 -13.559 0.810 -0.493 1.00 0.00 O ATOM 723 CB ILE B 107 -13.134 -1.542 1.656 1.00 0.00 C ATOM 724 CG1 ILE B 107 -12.477 -2.848 2.092 1.00 0.00 C ATOM 725 CG2 ILE B 107 -14.491 -1.842 1.025 1.00 0.00 C ATOM 726 CD1 ILE B 107 -13.513 -3.737 2.773 1.00 0.00 C ATOM 0 H ILE B 107 -10.769 -1.149 2.081 1.00 0.00 H new ATOM 0 HA ILE B 107 -12.289 -1.389 -0.304 1.00 0.00 H new ATOM 0 HB ILE B 107 -13.270 -0.897 2.524 1.00 0.00 H new ATOM 0 HG12 ILE B 107 -12.054 -3.361 1.228 1.00 0.00 H new ATOM 0 HG13 ILE B 107 -11.653 -2.642 2.775 1.00 0.00 H new ATOM 0 HG21 ILE B 107 -15.128 -2.344 1.753 1.00 0.00 H new ATOM 0 HG22 ILE B 107 -14.962 -0.909 0.714 1.00 0.00 H new ATOM 0 HG23 ILE B 107 -14.354 -2.487 0.157 1.00 0.00 H new ATOM 0 HD11 ILE B 107 -13.043 -4.670 3.084 1.00 0.00 H new ATOM 0 HD12 ILE B 107 -13.915 -3.224 3.647 1.00 0.00 H new ATOM 0 HD13 ILE B 107 -14.322 -3.953 2.075 1.00 0.00 H new ATOM 738 N ILE B 108 -12.207 1.539 1.156 1.00 0.00 N ATOM 739 CA ILE B 108 -12.586 2.930 1.013 1.00 0.00 C ATOM 740 C ILE B 108 -11.895 3.529 -0.204 1.00 0.00 C ATOM 741 O ILE B 108 -12.510 4.274 -0.964 1.00 0.00 O ATOM 742 CB ILE B 108 -12.208 3.692 2.280 1.00 0.00 C ATOM 743 CG1 ILE B 108 -13.086 3.224 3.437 1.00 0.00 C ATOM 744 CG2 ILE B 108 -12.418 5.187 2.055 1.00 0.00 C ATOM 745 CD1 ILE B 108 -12.454 3.649 4.759 1.00 0.00 C ATOM 0 H ILE B 108 -11.518 1.365 1.888 1.00 0.00 H new ATOM 0 HA ILE B 108 -13.664 3.005 0.868 1.00 0.00 H new ATOM 0 HB ILE B 108 -11.161 3.503 2.519 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -14.085 3.651 3.345 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -13.198 2.140 3.407 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -12.148 5.732 2.959 1.00 0.00 H new ATOM 0 HG22 ILE B 108 -11.791 5.522 1.229 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -13.465 5.375 1.816 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -13.081 3.315 5.586 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -11.464 3.201 4.850 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -12.365 4.735 4.787 1.00 0.00 H new ATOM 757 N ILE B 109 -10.614 3.202 -0.388 1.00 0.00 N ATOM 758 CA ILE B 109 -9.847 3.706 -1.509 1.00 0.00 C ATOM 759 C ILE B 109 -10.224 2.946 -2.773 1.00 0.00 C ATOM 760 O ILE B 109 -10.062 3.458 -3.879 1.00 0.00 O ATOM 761 CB ILE B 109 -8.357 3.560 -1.213 1.00 0.00 C ATOM 762 CG1 ILE B 109 -8.045 4.179 0.146 1.00 0.00 C ATOM 763 CG2 ILE B 109 -7.552 4.274 -2.294 1.00 0.00 C ATOM 764 CD1 ILE B 109 -6.794 3.526 0.727 1.00 0.00 C ATOM 0 H ILE B 109 -10.091 2.586 0.234 1.00 0.00 H new ATOM 0 HA ILE B 109 -10.070 4.762 -1.663 1.00 0.00 H new ATOM 0 HB ILE B 109 -8.091 2.503 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -7.893 5.253 0.042 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -8.888 4.041 0.823 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -6.488 4.170 -2.083 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -7.774 3.832 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -7.818 5.331 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -6.570 3.968 1.698 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -6.964 2.456 0.846 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -5.953 3.687 0.053 1.00 0.00 H new ATOM 776 N LEU B 110 -10.728 1.721 -2.608 1.00 0.00 N ATOM 777 CA LEU B 110 -11.125 0.898 -3.734 1.00 0.00 C ATOM 778 C LEU B 110 -12.551 1.238 -4.144 1.00 0.00 C ATOM 779 O LEU B 110 -12.823 1.468 -5.320 1.00 0.00 O ATOM 780 CB LEU B 110 -11.009 -0.575 -3.352 1.00 0.00 C ATOM 781 CG LEU B 110 -9.544 -0.998 -3.402 1.00 0.00 C ATOM 782 CD1 LEU B 110 -9.447 -2.514 -3.254 1.00 0.00 C ATOM 783 CD2 LEU B 110 -8.938 -0.578 -4.738 1.00 0.00 C ATOM 0 H LEU B 110 -10.868 1.283 -1.698 1.00 0.00 H new ATOM 0 HA LEU B 110 -10.468 1.093 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -11.411 -0.735 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -11.599 -1.187 -4.035 1.00 0.00 H new ATOM 0 HG LEU B 110 -8.999 -0.518 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -8.401 -2.817 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -9.880 -2.815 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -9.992 -2.995 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -7.891 -0.880 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -9.482 -1.058 -5.551 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -9.007 0.505 -4.845 1.00 0.00 H new ATOM 795 N GLU B 111 -13.462 1.269 -3.169 1.00 0.00 N ATOM 796 CA GLU B 111 -14.852 1.582 -3.435 1.00 0.00 C ATOM 797 C GLU B 111 -14.961 2.952 -4.089 1.00 0.00 C ATOM 798 O GLU B 111 -15.730 3.138 -5.029 1.00 0.00 O ATOM 799 CB GLU B 111 -15.640 1.541 -2.129 1.00 0.00 C ATOM 800 CG GLU B 111 -15.811 0.092 -1.683 1.00 0.00 C ATOM 801 CD GLU B 111 -16.868 -0.613 -2.520 1.00 0.00 C ATOM 802 OE1 GLU B 111 -16.757 -1.852 -2.648 1.00 0.00 O ATOM 803 OE2 GLU B 111 -17.768 0.099 -3.016 1.00 0.00 O ATOM 0 H GLU B 111 -13.253 1.080 -2.189 1.00 0.00 H new ATOM 0 HA GLU B 111 -15.269 0.844 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -15.119 2.110 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -16.615 2.008 -2.266 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.861 -0.434 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -16.095 0.062 -0.631 1.00 0.00 H new ATOM 811 N GLY B 112 -14.185 3.916 -3.586 1.00 0.00 N ATOM 812 CA GLY B 112 -14.199 5.262 -4.124 1.00 0.00 C ATOM 813 C GLY B 112 -13.524 5.292 -5.488 1.00 0.00 C ATOM 814 O GLY B 112 -14.120 5.725 -6.471 1.00 0.00 O ATOM 0 H GLY B 112 -13.542 3.780 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -15.226 5.616 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -13.686 5.939 -3.441 1.00 0.00 H new ATOM 818 N THR B 113 -12.273 4.829 -5.544 1.00 0.00 N ATOM 819 CA THR B 113 -11.526 4.805 -6.785 1.00 0.00 C ATOM 820 C THR B 113 -12.275 3.986 -7.827 1.00 0.00 C ATOM 821 O THR B 113 -12.108 4.197 -9.026 1.00 0.00 O ATOM 822 CB THR B 113 -10.140 4.218 -6.532 1.00 0.00 C ATOM 823 OG1 THR B 113 -9.387 5.114 -5.745 1.00 0.00 O ATOM 824 CG2 THR B 113 -9.431 3.993 -7.865 1.00 0.00 C ATOM 0 H THR B 113 -11.763 4.467 -4.738 1.00 0.00 H new ATOM 0 HA THR B 113 -11.414 5.821 -7.164 1.00 0.00 H new ATOM 0 HB THR B 113 -10.238 3.267 -6.008 1.00 0.00 H new ATOM 0 HG1 THR B 113 -9.478 4.874 -4.799 1.00 0.00 H new ATOM 0 HG21 THR B 113 -8.441 3.574 -7.684 1.00 0.00 H new ATOM 0 HG22 THR B 113 -10.013 3.301 -8.474 1.00 0.00 H new ATOM 0 HG23 THR B 113 -9.332 4.943 -8.390 1.00 0.00 H new ATOM 832 N ALA B 114 -13.105 3.049 -7.364 1.00 0.00 N ATOM 833 CA ALA B 114 -13.875 2.203 -8.253 1.00 0.00 C ATOM 834 C ALA B 114 -14.929 3.034 -8.971 1.00 0.00 C ATOM 835 O ALA B 114 -14.899 3.156 -10.193 1.00 0.00 O ATOM 836 CB ALA B 114 -14.527 1.081 -7.449 1.00 0.00 C ATOM 0 H ALA B 114 -13.255 2.863 -6.372 1.00 0.00 H new ATOM 0 HA ALA B 114 -13.217 1.761 -9.001 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -15.107 0.444 -8.117 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -13.754 0.487 -6.961 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -15.186 1.510 -6.694 1.00 0.00 H new ATOM 842 N VAL B 115 -15.863 3.606 -8.207 1.00 0.00 N ATOM 843 CA VAL B 115 -16.919 4.421 -8.772 1.00 0.00 C ATOM 844 C VAL B 115 -16.335 5.716 -9.315 1.00 0.00 C ATOM 845 O VAL B 115 -16.945 6.368 -10.160 1.00 0.00 O ATOM 846 CB VAL B 115 -17.967 4.707 -7.700 1.00 0.00 C ATOM 847 CG1 VAL B 115 -19.275 5.125 -8.366 1.00 0.00 C ATOM 848 CG2 VAL B 115 -18.199 3.450 -6.867 1.00 0.00 C ATOM 0 H VAL B 115 -15.901 3.514 -7.192 1.00 0.00 H new ATOM 0 HA VAL B 115 -17.396 3.888 -9.595 1.00 0.00 H new ATOM 0 HB VAL B 115 -17.615 5.511 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL B 115 -20.024 5.329 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL B 115 -19.110 6.023 -8.961 1.00 0.00 H new ATOM 0 HG13 VAL B 115 -19.627 4.321 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL B 115 -18.947 3.654 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL B 115 -18.551 2.645 -7.513 1.00 0.00 H new ATOM 0 HG23 VAL B 115 -17.265 3.151 -6.391 1.00 0.00 H new ATOM 858 N ILE B 116 -15.148 6.089 -8.829 1.00 0.00 N ATOM 859 CA ILE B 116 -14.487 7.301 -9.268 1.00 0.00 C ATOM 860 C ILE B 116 -13.875 7.084 -10.645 1.00 0.00 C ATOM 861 O ILE B 116 -14.285 7.718 -11.615 1.00 0.00 O ATOM 862 CB ILE B 116 -13.415 7.690 -8.254 1.00 0.00 C ATOM 863 CG1 ILE B 116 -14.074 8.329 -7.035 1.00 0.00 C ATOM 864 CG2 ILE B 116 -12.450 8.687 -8.891 1.00 0.00 C ATOM 865 CD1 ILE B 116 -13.157 8.180 -5.824 1.00 0.00 C ATOM 0 H ILE B 116 -14.630 5.559 -8.128 1.00 0.00 H new ATOM 0 HA ILE B 116 -15.212 8.112 -9.339 1.00 0.00 H new ATOM 0 HB ILE B 116 -12.867 6.799 -7.946 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.273 9.383 -7.227 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -15.035 7.854 -6.837 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -11.684 8.965 -8.167 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -11.978 8.231 -9.762 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -12.998 9.577 -9.200 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -13.627 8.636 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -12.981 7.122 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -12.207 8.675 -6.024 1.00 0.00 H new ATOM 877 N ALA B 117 -12.891 6.185 -10.729 1.00 0.00 N ATOM 878 CA ALA B 117 -12.229 5.891 -11.983 1.00 0.00 C ATOM 879 C ALA B 117 -13.267 5.594 -13.056 1.00 0.00 C ATOM 880 O ALA B 117 -13.066 5.919 -14.225 1.00 0.00 O ATOM 881 CB ALA B 117 -11.290 4.703 -11.796 1.00 0.00 C ATOM 0 H ALA B 117 -12.541 5.651 -9.934 1.00 0.00 H new ATOM 0 HA ALA B 117 -11.643 6.754 -12.300 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -10.791 4.481 -12.740 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -10.544 4.945 -11.039 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -11.863 3.833 -11.475 1.00 0.00 H new ATOM 887 N MET B 118 -14.379 4.974 -12.657 1.00 0.00 N ATOM 888 CA MET B 118 -15.439 4.635 -13.586 1.00 0.00 C ATOM 889 C MET B 118 -16.119 5.904 -14.081 1.00 0.00 C ATOM 890 O MET B 118 -16.136 6.177 -15.279 1.00 0.00 O ATOM 891 CB MET B 118 -16.444 3.718 -12.896 1.00 0.00 C ATOM 892 CG MET B 118 -16.038 2.263 -13.113 1.00 0.00 C ATOM 893 SD MET B 118 -17.337 1.069 -12.712 1.00 0.00 S ATOM 894 CE MET B 118 -18.771 1.981 -13.335 1.00 0.00 C ATOM 0 H MET B 118 -14.562 4.699 -11.692 1.00 0.00 H new ATOM 0 HA MET B 118 -15.020 4.113 -14.446 1.00 0.00 H new ATOM 0 HB2 MET B 118 -16.483 3.941 -11.830 1.00 0.00 H new ATOM 0 HB3 MET B 118 -17.444 3.891 -13.295 1.00 0.00 H new ATOM 0 HG2 MET B 118 -15.745 2.130 -14.154 1.00 0.00 H new ATOM 0 HG3 MET B 118 -15.160 2.047 -12.505 1.00 0.00 H new ATOM 0 HE1 MET B 118 -19.585 1.285 -13.538 1.00 0.00 H new ATOM 0 HE2 MET B 118 -19.093 2.707 -12.589 1.00 0.00 H new ATOM 0 HE3 MET B 118 -18.500 2.501 -14.254 1.00 0.00 H new ATOM 1274 N THR C 203 -6.550 -12.304 -0.189 1.00 0.00 N ATOM 1275 CA THR C 203 -7.064 -11.038 -0.670 1.00 0.00 C ATOM 1276 C THR C 203 -8.361 -11.261 -1.434 1.00 0.00 C ATOM 1277 O THR C 203 -9.257 -10.420 -1.402 1.00 0.00 O ATOM 1278 CB THR C 203 -6.020 -10.372 -1.561 1.00 0.00 C ATOM 1279 OG1 THR C 203 -6.552 -9.182 -2.100 1.00 0.00 O ATOM 1280 CG2 THR C 203 -5.641 -11.319 -2.696 1.00 0.00 C ATOM 0 HA THR C 203 -7.274 -10.383 0.176 1.00 0.00 H new ATOM 0 HB THR C 203 -5.134 -10.139 -0.970 1.00 0.00 H new ATOM 0 HG1 THR C 203 -6.851 -9.344 -3.019 1.00 0.00 H new ATOM 0 HG21 THR C 203 -4.895 -10.843 -3.333 1.00 0.00 H new ATOM 0 HG22 THR C 203 -5.230 -12.239 -2.280 1.00 0.00 H new ATOM 0 HG23 THR C 203 -6.527 -11.552 -3.287 1.00 0.00 H new ATOM 1288 N ASN C 204 -8.460 -12.400 -2.122 1.00 0.00 N ATOM 1289 CA ASN C 204 -9.645 -12.728 -2.889 1.00 0.00 C ATOM 1290 C ASN C 204 -10.893 -12.377 -2.092 1.00 0.00 C ATOM 1291 O ASN C 204 -11.781 -11.691 -2.592 1.00 0.00 O ATOM 1292 CB ASN C 204 -9.627 -14.214 -3.238 1.00 0.00 C ATOM 1293 CG ASN C 204 -11.039 -14.736 -3.463 1.00 0.00 C ATOM 1294 OD1 ASN C 204 -11.389 -15.812 -2.985 1.00 0.00 O ATOM 1295 ND2 ASN C 204 -11.852 -13.968 -4.193 1.00 0.00 N ATOM 0 H ASN C 204 -7.726 -13.108 -2.158 1.00 0.00 H new ATOM 0 HA ASN C 204 -9.656 -12.149 -3.813 1.00 0.00 H new ATOM 0 HB2 ASN C 204 -9.029 -14.374 -4.135 1.00 0.00 H new ATOM 0 HB3 ASN C 204 -9.151 -14.775 -2.433 1.00 0.00 H new ATOM 0 HD21 ASN C 204 -12.810 -14.268 -4.375 1.00 0.00 H new ATOM 0 HD22 ASN C 204 -11.515 -13.082 -4.569 1.00 0.00 H new ATOM 1302 N LEU C 205 -10.956 -12.849 -0.844 1.00 0.00 N ATOM 1303 CA LEU C 205 -12.091 -12.583 0.017 1.00 0.00 C ATOM 1304 C LEU C 205 -12.508 -11.125 -0.112 1.00 0.00 C ATOM 1305 O LEU C 205 -13.686 -10.826 -0.290 1.00 0.00 O ATOM 1306 CB LEU C 205 -11.722 -12.914 1.460 1.00 0.00 C ATOM 1307 CG LEU C 205 -12.001 -14.390 1.731 1.00 0.00 C ATOM 1308 CD1 LEU C 205 -11.741 -14.695 3.203 1.00 0.00 C ATOM 1309 CD2 LEU C 205 -13.456 -14.702 1.395 1.00 0.00 C ATOM 0 H LEU C 205 -10.227 -13.418 -0.414 1.00 0.00 H new ATOM 0 HA LEU C 205 -12.933 -13.208 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU C 205 -10.669 -12.693 1.637 1.00 0.00 H new ATOM 0 HB3 LEU C 205 -12.298 -12.292 2.146 1.00 0.00 H new ATOM 0 HG LEU C 205 -11.346 -15.004 1.112 1.00 0.00 H new ATOM 0 HD11 LEU C 205 -11.940 -15.749 3.397 1.00 0.00 H new ATOM 0 HD12 LEU C 205 -10.701 -14.472 3.443 1.00 0.00 H new ATOM 0 HD13 LEU C 205 -12.396 -14.082 3.823 1.00 0.00 H new ATOM 0 HD21 LEU C 205 -13.656 -15.756 1.588 1.00 0.00 H new ATOM 0 HD22 LEU C 205 -14.112 -14.089 2.013 1.00 0.00 H new ATOM 0 HD23 LEU C 205 -13.641 -14.484 0.343 1.00 0.00 H new ATOM 1321 N GLU C 206 -11.535 -10.215 -0.022 1.00 0.00 N ATOM 1322 CA GLU C 206 -11.806 -8.796 -0.130 1.00 0.00 C ATOM 1323 C GLU C 206 -12.322 -8.470 -1.524 1.00 0.00 C ATOM 1324 O GLU C 206 -13.120 -7.551 -1.696 1.00 0.00 O ATOM 1325 CB GLU C 206 -10.532 -8.011 0.172 1.00 0.00 C ATOM 1326 CG GLU C 206 -10.185 -8.154 1.651 1.00 0.00 C ATOM 1327 CD GLU C 206 -10.173 -9.617 2.067 1.00 0.00 C ATOM 1328 OE1 GLU C 206 -11.158 -10.031 2.716 1.00 0.00 O ATOM 1329 OE2 GLU C 206 -9.179 -10.295 1.729 1.00 0.00 O ATOM 0 H GLU C 206 -10.552 -10.446 0.126 1.00 0.00 H new ATOM 0 HA GLU C 206 -12.572 -8.514 0.592 1.00 0.00 H new ATOM 0 HB2 GLU C 206 -9.711 -8.380 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU C 206 -10.672 -6.960 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU C 206 -9.209 -7.709 1.844 1.00 0.00 H new ATOM 0 HG3 GLU C 206 -10.910 -7.606 2.253 1.00 0.00 H new ATOM 1337 N ILE C 207 -11.864 -9.230 -2.522 1.00 0.00 N ATOM 1338 CA ILE C 207 -12.280 -9.024 -3.895 1.00 0.00 C ATOM 1339 C ILE C 207 -13.767 -9.322 -4.033 1.00 0.00 C ATOM 1340 O ILE C 207 -14.444 -8.732 -4.872 1.00 0.00 O ATOM 1341 CB ILE C 207 -11.460 -9.924 -4.815 1.00 0.00 C ATOM 1342 CG1 ILE C 207 -9.981 -9.800 -4.462 1.00 0.00 C ATOM 1343 CG2 ILE C 207 -11.674 -9.499 -6.265 1.00 0.00 C ATOM 1344 CD1 ILE C 207 -9.136 -10.354 -5.606 1.00 0.00 C ATOM 0 H ILE C 207 -11.202 -9.995 -2.395 1.00 0.00 H new ATOM 0 HA ILE C 207 -12.110 -7.986 -4.179 1.00 0.00 H new ATOM 0 HB ILE C 207 -11.778 -10.959 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE C 207 -9.726 -8.756 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE C 207 -9.769 -10.345 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE C 207 -11.089 -10.141 -6.923 1.00 0.00 H new ATOM 0 HG22 ILE C 207 -12.731 -9.587 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE C 207 -11.356 -8.464 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE C 207 -8.079 -10.265 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE C 207 -9.384 -11.403 -5.767 1.00 0.00 H new ATOM 0 HD13 ILE C 207 -9.340 -9.790 -6.516 1.00 0.00 H new ATOM 1356 N ILE C 208 -14.273 -10.240 -3.207 1.00 0.00 N ATOM 1357 CA ILE C 208 -15.673 -10.611 -3.238 1.00 0.00 C ATOM 1358 C ILE C 208 -16.506 -9.533 -2.558 1.00 0.00 C ATOM 1359 O ILE C 208 -17.574 -9.171 -3.048 1.00 0.00 O ATOM 1360 CB ILE C 208 -15.859 -11.957 -2.544 1.00 0.00 C ATOM 1361 CG1 ILE C 208 -15.204 -13.055 -3.378 1.00 0.00 C ATOM 1362 CG2 ILE C 208 -17.348 -12.252 -2.395 1.00 0.00 C ATOM 1363 CD1 ILE C 208 -15.009 -14.300 -2.517 1.00 0.00 C ATOM 0 H ILE C 208 -13.723 -10.738 -2.507 1.00 0.00 H new ATOM 0 HA ILE C 208 -16.006 -10.703 -4.272 1.00 0.00 H new ATOM 0 HB ILE C 208 -15.395 -11.924 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE C 208 -15.826 -13.291 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE C 208 -14.243 -12.711 -3.762 1.00 0.00 H new ATOM 0 HG21 ILE C 208 -17.481 -13.214 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE C 208 -17.816 -11.469 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE C 208 -17.813 -12.285 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE C 208 -14.541 -15.084 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE C 208 -14.370 -14.059 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE C 208 -15.977 -14.647 -2.155 1.00 0.00 H new ATOM 1375 N ILE C 209 -16.016 -9.021 -1.427 1.00 0.00 N ATOM 1376 CA ILE C 209 -16.713 -7.989 -0.687 1.00 0.00 C ATOM 1377 C ILE C 209 -16.530 -6.646 -1.380 1.00 0.00 C ATOM 1378 O ILE C 209 -17.350 -5.745 -1.218 1.00 0.00 O ATOM 1379 CB ILE C 209 -16.179 -7.938 0.741 1.00 0.00 C ATOM 1380 CG1 ILE C 209 -16.214 -9.338 1.348 1.00 0.00 C ATOM 1381 CG2 ILE C 209 -17.048 -7.001 1.576 1.00 0.00 C ATOM 1382 CD1 ILE C 209 -15.164 -9.441 2.450 1.00 0.00 C ATOM 0 H ILE C 209 -15.133 -9.312 -1.009 1.00 0.00 H new ATOM 0 HA ILE C 209 -17.778 -8.217 -0.653 1.00 0.00 H new ATOM 0 HB ILE C 209 -15.153 -7.571 0.732 1.00 0.00 H new ATOM 0 HG12 ILE C 209 -17.204 -9.545 1.754 1.00 0.00 H new ATOM 0 HG13 ILE C 209 -16.023 -10.085 0.578 1.00 0.00 H new ATOM 0 HG21 ILE C 209 -16.667 -6.964 2.597 1.00 0.00 H new ATOM 0 HG22 ILE C 209 -17.024 -6.001 1.143 1.00 0.00 H new ATOM 0 HG23 ILE C 209 -18.074 -7.368 1.585 1.00 0.00 H new ATOM 0 HD11 ILE C 209 -15.189 -10.441 2.884 1.00 0.00 H new ATOM 0 HD12 ILE C 209 -14.176 -9.252 2.030 1.00 0.00 H new ATOM 0 HD13 ILE C 209 -15.376 -8.704 3.225 1.00 0.00 H new ATOM 1394 N LEU C 210 -15.450 -6.513 -2.155 1.00 0.00 N ATOM 1395 CA LEU C 210 -15.166 -5.284 -2.867 1.00 0.00 C ATOM 1396 C LEU C 210 -15.904 -5.275 -4.198 1.00 0.00 C ATOM 1397 O LEU C 210 -16.577 -4.302 -4.532 1.00 0.00 O ATOM 1398 CB LEU C 210 -13.661 -5.159 -3.083 1.00 0.00 C ATOM 1399 CG LEU C 210 -12.997 -4.705 -1.787 1.00 0.00 C ATOM 1400 CD1 LEU C 210 -11.536 -4.354 -2.058 1.00 0.00 C ATOM 1401 CD2 LEU C 210 -13.723 -3.476 -1.246 1.00 0.00 C ATOM 0 H LEU C 210 -14.761 -7.251 -2.300 1.00 0.00 H new ATOM 0 HA LEU C 210 -15.508 -4.432 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU C 210 -13.248 -6.117 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU C 210 -13.455 -4.444 -3.879 1.00 0.00 H new ATOM 0 HG LEU C 210 -13.047 -5.509 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU C 210 -11.062 -4.030 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU C 210 -11.017 -5.231 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU C 210 -11.485 -3.550 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU C 210 -13.249 -3.152 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU C 210 -13.674 -2.672 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU C 210 -14.766 -3.726 -1.051 1.00 0.00 H new ATOM 1413 N GLU C 211 -15.778 -6.365 -4.959 1.00 0.00 N ATOM 1414 CA GLU C 211 -16.434 -6.476 -6.246 1.00 0.00 C ATOM 1415 C GLU C 211 -17.937 -6.310 -6.079 1.00 0.00 C ATOM 1416 O GLU C 211 -18.585 -5.634 -6.875 1.00 0.00 O ATOM 1417 CB GLU C 211 -16.104 -7.830 -6.868 1.00 0.00 C ATOM 1418 CG GLU C 211 -14.657 -7.829 -7.353 1.00 0.00 C ATOM 1419 CD GLU C 211 -14.517 -7.036 -8.644 1.00 0.00 C ATOM 1420 OE1 GLU C 211 -13.404 -6.513 -8.870 1.00 0.00 O ATOM 1421 OE2 GLU C 211 -15.525 -6.967 -9.380 1.00 0.00 O ATOM 0 H GLU C 211 -15.224 -7.181 -4.697 1.00 0.00 H new ATOM 0 HA GLU C 211 -16.076 -5.688 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU C 211 -16.253 -8.624 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU C 211 -16.778 -8.033 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU C 211 -14.013 -7.399 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU C 211 -14.322 -8.854 -7.513 1.00 0.00 H new ATOM 1429 N GLY C 212 -18.494 -6.931 -5.036 1.00 0.00 N ATOM 1430 CA GLY C 212 -19.916 -6.849 -4.772 1.00 0.00 C ATOM 1431 C GLY C 212 -20.278 -5.460 -4.263 1.00 0.00 C ATOM 1432 O GLY C 212 -21.133 -4.788 -4.835 1.00 0.00 O ATOM 0 H GLY C 212 -17.973 -7.495 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY C 212 -20.475 -7.068 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY C 212 -20.200 -7.600 -4.035 1.00 0.00 H new ATOM 1436 N THR C 213 -19.622 -5.031 -3.183 1.00 0.00 N ATOM 1437 CA THR C 213 -19.877 -3.726 -2.606 1.00 0.00 C ATOM 1438 C THR C 213 -19.636 -2.642 -3.646 1.00 0.00 C ATOM 1439 O THR C 213 -20.207 -1.557 -3.561 1.00 0.00 O ATOM 1440 CB THR C 213 -18.973 -3.522 -1.393 1.00 0.00 C ATOM 1441 OG1 THR C 213 -19.374 -4.391 -0.357 1.00 0.00 O ATOM 1442 CG2 THR C 213 -19.082 -2.077 -0.915 1.00 0.00 C ATOM 0 H THR C 213 -18.910 -5.575 -2.695 1.00 0.00 H new ATOM 0 HA THR C 213 -20.917 -3.665 -2.284 1.00 0.00 H new ATOM 0 HB THR C 213 -17.941 -3.737 -1.669 1.00 0.00 H new ATOM 0 HG1 THR C 213 -18.870 -5.229 -0.419 1.00 0.00 H new ATOM 0 HG21 THR C 213 -18.437 -1.931 -0.049 1.00 0.00 H new ATOM 0 HG22 THR C 213 -18.773 -1.405 -1.715 1.00 0.00 H new ATOM 0 HG23 THR C 213 -20.114 -1.862 -0.639 1.00 0.00 H new ATOM 1450 N ALA C 214 -18.786 -2.940 -4.631 1.00 0.00 N ATOM 1451 CA ALA C 214 -18.472 -1.993 -5.682 1.00 0.00 C ATOM 1452 C ALA C 214 -19.693 -1.778 -6.565 1.00 0.00 C ATOM 1453 O ALA C 214 -20.221 -0.671 -6.639 1.00 0.00 O ATOM 1454 CB ALA C 214 -17.296 -2.516 -6.502 1.00 0.00 C ATOM 0 H ALA C 214 -18.305 -3.836 -4.715 1.00 0.00 H new ATOM 0 HA ALA C 214 -18.194 -1.035 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA C 214 -17.059 -1.804 -7.293 1.00 0.00 H new ATOM 0 HB2 ALA C 214 -16.428 -2.641 -5.855 1.00 0.00 H new ATOM 0 HB3 ALA C 214 -17.560 -3.476 -6.945 1.00 0.00 H new ATOM 1460 N VAL C 215 -20.140 -2.842 -7.236 1.00 0.00 N ATOM 1461 CA VAL C 215 -21.294 -2.766 -8.110 1.00 0.00 C ATOM 1462 C VAL C 215 -22.552 -2.550 -7.282 1.00 0.00 C ATOM 1463 O VAL C 215 -23.563 -2.079 -7.798 1.00 0.00 O ATOM 1464 CB VAL C 215 -21.397 -4.051 -8.927 1.00 0.00 C ATOM 1465 CG1 VAL C 215 -22.276 -3.806 -10.150 1.00 0.00 C ATOM 1466 CG2 VAL C 215 -20.004 -4.480 -9.379 1.00 0.00 C ATOM 0 H VAL C 215 -19.712 -3.767 -7.185 1.00 0.00 H new ATOM 0 HA VAL C 215 -21.184 -1.925 -8.794 1.00 0.00 H new ATOM 0 HB VAL C 215 -21.838 -4.837 -8.314 1.00 0.00 H new ATOM 0 HG11 VAL C 215 -22.350 -4.723 -10.734 1.00 0.00 H new ATOM 0 HG12 VAL C 215 -23.271 -3.500 -9.827 1.00 0.00 H new ATOM 0 HG13 VAL C 215 -21.835 -3.020 -10.763 1.00 0.00 H new ATOM 0 HG21 VAL C 215 -20.077 -5.398 -9.962 1.00 0.00 H new ATOM 0 HG22 VAL C 215 -19.562 -3.694 -9.992 1.00 0.00 H new ATOM 0 HG23 VAL C 215 -19.376 -4.655 -8.506 1.00 0.00 H new ATOM 1476 N ILE C 216 -22.489 -2.895 -5.994 1.00 0.00 N ATOM 1477 CA ILE C 216 -23.619 -2.737 -5.101 1.00 0.00 C ATOM 1478 C ILE C 216 -23.767 -1.272 -4.713 1.00 0.00 C ATOM 1479 O ILE C 216 -24.762 -0.636 -5.053 1.00 0.00 O ATOM 1480 CB ILE C 216 -23.416 -3.608 -3.864 1.00 0.00 C ATOM 1481 CG1 ILE C 216 -23.709 -5.064 -4.213 1.00 0.00 C ATOM 1482 CG2 ILE C 216 -24.362 -3.149 -2.759 1.00 0.00 C ATOM 1483 CD1 ILE C 216 -22.973 -5.979 -3.239 1.00 0.00 C ATOM 0 H ILE C 216 -21.658 -3.287 -5.552 1.00 0.00 H new ATOM 0 HA ILE C 216 -24.533 -3.053 -5.604 1.00 0.00 H new ATOM 0 HB ILE C 216 -22.385 -3.518 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE C 216 -24.782 -5.252 -4.165 1.00 0.00 H new ATOM 0 HG13 ILE C 216 -23.394 -5.275 -5.235 1.00 0.00 H new ATOM 0 HG21 ILE C 216 -24.218 -3.770 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE C 216 -24.152 -2.109 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE C 216 -25.393 -3.239 -3.102 1.00 0.00 H new ATOM 0 HD11 ILE C 216 -23.182 -7.019 -3.488 1.00 0.00 H new ATOM 0 HD12 ILE C 216 -21.900 -5.798 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE C 216 -23.310 -5.775 -2.223 1.00 0.00 H new ATOM 1495 N ALA C 217 -22.773 -0.739 -3.998 1.00 0.00 N ATOM 1496 CA ALA C 217 -22.798 0.644 -3.568 1.00 0.00 C ATOM 1497 C ALA C 217 -23.097 1.548 -4.755 1.00 0.00 C ATOM 1498 O ALA C 217 -23.742 2.583 -4.604 1.00 0.00 O ATOM 1499 CB ALA C 217 -21.456 1.004 -2.938 1.00 0.00 C ATOM 0 H ALA C 217 -21.942 -1.254 -3.708 1.00 0.00 H new ATOM 0 HA ALA C 217 -23.583 0.784 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA C 217 -21.474 2.045 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA C 217 -21.273 0.359 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA C 217 -20.661 0.866 -3.671 1.00 0.00 H new ATOM 1505 N MET C 218 -22.624 1.155 -5.940 1.00 0.00 N ATOM 1506 CA MET C 218 -22.842 1.933 -7.144 1.00 0.00 C ATOM 1507 C MET C 218 -24.313 1.889 -7.530 1.00 0.00 C ATOM 1508 O MET C 218 -24.974 2.923 -7.594 1.00 0.00 O ATOM 1509 CB MET C 218 -21.972 1.380 -8.269 1.00 0.00 C ATOM 1510 CG MET C 218 -20.624 2.096 -8.268 1.00 0.00 C ATOM 1511 SD MET C 218 -19.657 1.844 -9.778 1.00 0.00 S ATOM 1512 CE MET C 218 -20.999 1.891 -10.992 1.00 0.00 C ATOM 0 H MET C 218 -22.087 0.299 -6.083 1.00 0.00 H new ATOM 0 HA MET C 218 -22.566 2.972 -6.964 1.00 0.00 H new ATOM 0 HB2 MET C 218 -21.827 0.308 -8.137 1.00 0.00 H new ATOM 0 HB3 MET C 218 -22.469 1.519 -9.229 1.00 0.00 H new ATOM 0 HG2 MET C 218 -20.791 3.164 -8.130 1.00 0.00 H new ATOM 0 HG3 MET C 218 -20.041 1.751 -7.414 1.00 0.00 H new ATOM 0 HE1 MET C 218 -20.579 1.930 -11.997 1.00 0.00 H new ATOM 0 HE2 MET C 218 -21.614 0.997 -10.890 1.00 0.00 H new ATOM 0 HE3 MET C 218 -21.614 2.775 -10.821 1.00 0.00 H new