USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=14 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 101 SER OG : rot -129:sc= 0.865 USER MOD Set 1.2: A 135 GLN : amide:sc= -1.28 K(o=-0.42,f=-4.6!) USER MOD Single : A 79 THR OG1 : rot 16:sc= 1.27! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= -0.134 (180deg=-0.134) USER MOD Single : A 97 ASN :FLIP amide:sc= -2.94 F(o=-7.5!,f=-2.9) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.242 K(o=-0.24,f=-0.96) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 85:sc= 0.81 USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 115 LYS NZ :NH3+ 154:sc= -0.301 (180deg=-1.36!) USER MOD Single : A 117 THR OG1 : rot -63:sc= -3.57 USER MOD Single : A 124 MET CE :methyl -138:sc=-0.00157 (180deg=-0.242) USER MOD Single : A 137 ASN :FLIP amide:sc= -11! C(o=-18!,f=-11!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 173:sc= -0.684 (180deg=-0.725) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -164:sc= -0.0464 (180deg=-0.475) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 78 8.461 24.282 -0.390 1.00 0.00 N ATOM 2 CA ASP A 78 9.620 23.440 -0.801 1.00 0.00 C ATOM 3 C ASP A 78 9.140 22.029 -1.136 1.00 0.00 C ATOM 4 O ASP A 78 9.652 21.400 -2.063 1.00 0.00 O ATOM 5 CB ASP A 78 10.642 23.399 0.336 1.00 0.00 C ATOM 6 CG ASP A 78 11.350 24.751 0.447 1.00 0.00 C ATOM 7 OD1 ASP A 78 11.224 25.538 -0.477 1.00 0.00 O ATOM 8 OD2 ASP A 78 12.004 24.980 1.450 1.00 0.00 O ATOM 0 HA ASP A 78 10.089 23.867 -1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.144 23.161 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.372 22.610 0.153 1.00 0.00 H new ATOM 15 N THR A 79 8.153 21.539 -0.390 1.00 0.00 N ATOM 16 CA THR A 79 7.616 20.200 -0.629 1.00 0.00 C ATOM 17 C THR A 79 8.739 19.207 -0.913 1.00 0.00 C ATOM 18 O THR A 79 8.920 18.790 -2.057 1.00 0.00 O ATOM 19 CB THR A 79 6.666 20.218 -1.831 1.00 0.00 C ATOM 20 OG1 THR A 79 7.413 20.449 -3.017 1.00 0.00 O ATOM 21 CG2 THR A 79 5.633 21.327 -1.658 1.00 0.00 C ATOM 0 H THR A 79 7.711 22.043 0.379 1.00 0.00 H new ATOM 0 HA THR A 79 7.079 19.893 0.268 1.00 0.00 H new ATOM 0 HB THR A 79 6.154 19.258 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.364 20.291 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.960 21.335 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.059 21.151 -0.748 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.140 22.289 -1.586 1.00 0.00 H new ATOM 29 N ASP A 80 9.498 18.849 0.134 1.00 0.00 N ATOM 30 CA ASP A 80 10.621 17.909 -0.004 1.00 0.00 C ATOM 31 C ASP A 80 10.352 16.892 -1.114 1.00 0.00 C ATOM 32 O ASP A 80 10.918 16.990 -2.203 1.00 0.00 O ATOM 33 CB ASP A 80 10.835 17.172 1.322 1.00 0.00 C ATOM 34 CG ASP A 80 11.990 16.182 1.201 1.00 0.00 C ATOM 35 OD1 ASP A 80 12.494 16.016 0.104 1.00 0.00 O ATOM 36 OD2 ASP A 80 12.352 15.603 2.212 1.00 0.00 O ATOM 0 H ASP A 80 9.355 19.195 1.083 1.00 0.00 H new ATOM 0 HA ASP A 80 11.515 18.476 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.045 17.890 2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.924 16.644 1.603 1.00 0.00 H new ATOM 41 N SER A 81 9.476 15.933 -0.840 1.00 0.00 N ATOM 42 CA SER A 81 9.128 14.925 -1.832 1.00 0.00 C ATOM 43 C SER A 81 7.968 14.075 -1.326 1.00 0.00 C ATOM 44 O SER A 81 7.393 13.278 -2.069 1.00 0.00 O ATOM 45 CB SER A 81 10.327 14.028 -2.122 1.00 0.00 C ATOM 46 OG SER A 81 10.479 13.097 -1.060 1.00 0.00 O ATOM 0 H SER A 81 8.997 15.833 0.055 1.00 0.00 H new ATOM 0 HA SER A 81 8.833 15.432 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.183 13.502 -3.066 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.230 14.630 -2.227 1.00 0.00 H new ATOM 0 HG SER A 81 11.247 12.516 -1.241 1.00 0.00 H new ATOM 52 N GLU A 82 7.630 14.261 -0.055 1.00 0.00 N ATOM 53 CA GLU A 82 6.538 13.520 0.565 1.00 0.00 C ATOM 54 C GLU A 82 5.317 13.499 -0.353 1.00 0.00 C ATOM 55 O GLU A 82 4.410 12.685 -0.181 1.00 0.00 O ATOM 56 CB GLU A 82 6.177 14.188 1.902 1.00 0.00 C ATOM 57 CG GLU A 82 5.101 13.374 2.626 1.00 0.00 C ATOM 58 CD GLU A 82 4.797 14.002 3.984 1.00 0.00 C ATOM 59 OE1 GLU A 82 5.253 15.109 4.217 1.00 0.00 O ATOM 60 OE2 GLU A 82 4.110 13.369 4.766 1.00 0.00 O ATOM 0 H GLU A 82 8.098 14.920 0.567 1.00 0.00 H new ATOM 0 HA GLU A 82 6.854 12.491 0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.065 14.268 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.819 15.202 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.194 13.336 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.439 12.346 2.759 1.00 0.00 H new ATOM 67 N GLU A 83 5.300 14.405 -1.324 1.00 0.00 N ATOM 68 CA GLU A 83 4.182 14.497 -2.253 1.00 0.00 C ATOM 69 C GLU A 83 4.057 13.241 -3.122 1.00 0.00 C ATOM 70 O GLU A 83 2.978 12.655 -3.211 1.00 0.00 O ATOM 71 CB GLU A 83 4.364 15.736 -3.129 1.00 0.00 C ATOM 72 CG GLU A 83 4.262 16.996 -2.261 1.00 0.00 C ATOM 73 CD GLU A 83 2.847 17.146 -1.706 1.00 0.00 C ATOM 74 OE1 GLU A 83 1.917 17.143 -2.497 1.00 0.00 O ATOM 75 OE2 GLU A 83 2.714 17.252 -0.498 1.00 0.00 O ATOM 0 H GLU A 83 6.044 15.083 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 83 3.260 14.580 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.333 15.703 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.604 15.757 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.977 16.939 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.523 17.874 -2.851 1.00 0.00 H new ATOM 82 N GLU A 84 5.143 12.814 -3.764 1.00 0.00 N ATOM 83 CA GLU A 84 5.073 11.615 -4.603 1.00 0.00 C ATOM 84 C GLU A 84 4.379 10.502 -3.828 1.00 0.00 C ATOM 85 O GLU A 84 3.469 9.850 -4.336 1.00 0.00 O ATOM 86 CB GLU A 84 6.472 11.153 -5.004 1.00 0.00 C ATOM 87 CG GLU A 84 6.376 10.039 -6.053 1.00 0.00 C ATOM 88 CD GLU A 84 5.920 10.615 -7.391 1.00 0.00 C ATOM 89 OE1 GLU A 84 5.822 11.826 -7.487 1.00 0.00 O ATOM 90 OE2 GLU A 84 5.677 9.837 -8.297 1.00 0.00 O ATOM 0 H GLU A 84 6.058 13.264 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 84 4.512 11.852 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.040 11.993 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.010 10.793 -4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.345 9.554 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.674 9.274 -5.719 1.00 0.00 H new ATOM 97 N ILE A 85 4.807 10.305 -2.583 1.00 0.00 N ATOM 98 CA ILE A 85 4.207 9.281 -1.735 1.00 0.00 C ATOM 99 C ILE A 85 2.700 9.524 -1.648 1.00 0.00 C ATOM 100 O ILE A 85 1.898 8.615 -1.853 1.00 0.00 O ATOM 101 CB ILE A 85 4.806 9.368 -0.323 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.327 9.201 -0.386 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.224 8.275 0.578 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.919 9.414 1.011 1.00 0.00 C ATOM 0 H ILE A 85 5.559 10.835 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 85 4.405 8.296 -2.159 1.00 0.00 H new ATOM 0 HB ILE A 85 4.558 10.346 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.580 8.206 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.754 9.918 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.661 8.353 1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.143 8.396 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.454 7.296 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.002 9.296 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.677 10.418 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.500 8.680 1.699 1.00 0.00 H new ATOM 116 N ARG A 86 2.322 10.762 -1.351 1.00 0.00 N ATOM 117 CA ARG A 86 0.911 11.108 -1.240 1.00 0.00 C ATOM 118 C ARG A 86 0.168 10.773 -2.540 1.00 0.00 C ATOM 119 O ARG A 86 -0.969 10.289 -2.512 1.00 0.00 O ATOM 120 CB ARG A 86 0.781 12.606 -0.908 1.00 0.00 C ATOM 121 CG ARG A 86 1.235 12.844 0.536 1.00 0.00 C ATOM 122 CD ARG A 86 1.222 14.345 0.854 1.00 0.00 C ATOM 123 NE ARG A 86 -0.141 14.849 0.843 1.00 0.00 N ATOM 124 CZ ARG A 86 -0.398 16.149 1.007 1.00 0.00 C ATOM 125 NH1 ARG A 86 0.583 17.010 1.118 1.00 0.00 N ATOM 126 NH2 ARG A 86 -1.637 16.565 1.049 1.00 0.00 N ATOM 0 H ARG A 86 2.966 11.535 -1.184 1.00 0.00 H new ATOM 0 HA ARG A 86 0.459 10.523 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.388 13.197 -1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.252 12.931 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.577 12.313 1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.238 12.443 0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.675 14.521 1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.823 14.884 0.122 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.915 14.198 0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.550 16.689 1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.380 18.002 1.243 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.403 15.897 0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.838 17.557 1.174 1.00 0.00 H new ATOM 140 N GLU A 87 0.820 11.002 -3.675 1.00 0.00 N ATOM 141 CA GLU A 87 0.208 10.704 -4.966 1.00 0.00 C ATOM 142 C GLU A 87 0.192 9.196 -5.243 1.00 0.00 C ATOM 143 O GLU A 87 -0.868 8.571 -5.310 1.00 0.00 O ATOM 144 CB GLU A 87 0.977 11.423 -6.078 1.00 0.00 C ATOM 145 CG GLU A 87 0.786 12.935 -5.925 1.00 0.00 C ATOM 146 CD GLU A 87 1.560 13.674 -7.013 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.187 13.009 -7.821 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.513 14.893 -7.023 1.00 0.00 O ATOM 0 H GLU A 87 1.762 11.389 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.824 11.055 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.036 11.171 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.619 11.096 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.273 13.184 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.130 13.255 -4.942 1.00 0.00 H new ATOM 155 N ALA A 88 1.383 8.630 -5.426 1.00 0.00 N ATOM 156 CA ALA A 88 1.530 7.203 -5.727 1.00 0.00 C ATOM 157 C ALA A 88 0.507 6.374 -4.957 1.00 0.00 C ATOM 158 O ALA A 88 -0.252 5.604 -5.548 1.00 0.00 O ATOM 159 CB ALA A 88 2.946 6.744 -5.370 1.00 0.00 C ATOM 0 H ALA A 88 2.266 9.138 -5.371 1.00 0.00 H new ATOM 0 HA ALA A 88 1.356 7.056 -6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.052 5.683 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.671 7.313 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.125 6.909 -4.308 1.00 0.00 H new ATOM 165 N PHE A 89 0.479 6.547 -3.641 1.00 0.00 N ATOM 166 CA PHE A 89 -0.470 5.817 -2.809 1.00 0.00 C ATOM 167 C PHE A 89 -1.919 6.229 -3.127 1.00 0.00 C ATOM 168 O PHE A 89 -2.807 5.383 -3.198 1.00 0.00 O ATOM 169 CB PHE A 89 -0.154 6.058 -1.329 1.00 0.00 C ATOM 170 CG PHE A 89 0.945 5.116 -0.881 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.652 3.766 -0.637 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.251 5.582 -0.720 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.669 2.892 -0.240 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.262 4.710 -0.320 1.00 0.00 C ATOM 175 CZ PHE A 89 2.974 3.367 -0.080 1.00 0.00 C ATOM 0 H PHE A 89 1.096 7.180 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.373 4.753 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.156 7.092 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.048 5.901 -0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.358 3.402 -0.756 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.479 6.621 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.446 1.851 -0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.271 5.075 -0.196 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.759 2.693 0.230 1.00 0.00 H new ATOM 185 N ARG A 90 -2.162 7.523 -3.330 1.00 0.00 N ATOM 186 CA ARG A 90 -3.515 7.966 -3.652 1.00 0.00 C ATOM 187 C ARG A 90 -4.028 7.210 -4.882 1.00 0.00 C ATOM 188 O ARG A 90 -5.158 6.718 -4.900 1.00 0.00 O ATOM 189 CB ARG A 90 -3.527 9.482 -3.906 1.00 0.00 C ATOM 190 CG ARG A 90 -3.931 10.216 -2.623 1.00 0.00 C ATOM 191 CD ARG A 90 -3.883 11.706 -2.871 1.00 0.00 C ATOM 192 NE ARG A 90 -4.370 12.425 -1.699 1.00 0.00 N ATOM 193 CZ ARG A 90 -3.614 12.566 -0.610 1.00 0.00 C ATOM 194 NH1 ARG A 90 -2.409 12.058 -0.582 1.00 0.00 N ATOM 195 NH2 ARG A 90 -4.076 13.208 0.435 1.00 0.00 N ATOM 0 H ARG A 90 -1.462 8.263 -3.279 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.173 7.753 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.541 9.814 -4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.225 9.721 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.934 9.917 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.258 9.948 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.862 12.012 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.491 11.958 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.307 12.828 -1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.049 11.555 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.830 12.165 0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.017 13.602 0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.495 13.314 1.266 1.00 0.00 H new ATOM 209 N VAL A 91 -3.181 7.115 -5.901 1.00 0.00 N ATOM 210 CA VAL A 91 -3.539 6.414 -7.129 1.00 0.00 C ATOM 211 C VAL A 91 -3.800 4.935 -6.843 1.00 0.00 C ATOM 212 O VAL A 91 -4.753 4.348 -7.357 1.00 0.00 O ATOM 213 CB VAL A 91 -2.403 6.549 -8.151 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.678 5.654 -9.364 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.300 8.006 -8.609 1.00 0.00 C ATOM 0 H VAL A 91 -2.242 7.514 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.448 6.859 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.467 6.242 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.866 5.757 -10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.747 4.615 -9.041 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.617 5.952 -9.831 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.493 8.103 -9.335 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.240 8.310 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.093 8.644 -7.750 1.00 0.00 H new ATOM 225 N PHE A 92 -2.937 4.344 -6.024 1.00 0.00 N ATOM 226 CA PHE A 92 -3.063 2.929 -5.679 1.00 0.00 C ATOM 227 C PHE A 92 -4.483 2.607 -5.225 1.00 0.00 C ATOM 228 O PHE A 92 -5.125 1.720 -5.786 1.00 0.00 O ATOM 229 CB PHE A 92 -2.057 2.573 -4.563 1.00 0.00 C ATOM 230 CG PHE A 92 -0.739 2.151 -5.166 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.235 2.816 -6.291 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.027 1.087 -4.605 1.00 0.00 C ATOM 233 CE1 PHE A 92 0.978 2.411 -6.857 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.186 0.686 -5.166 1.00 0.00 C ATOM 235 CZ PHE A 92 1.690 1.348 -6.293 1.00 0.00 C ATOM 0 H PHE A 92 -2.146 4.818 -5.588 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.844 2.334 -6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.908 3.433 -3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.457 1.769 -3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.783 3.641 -6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.416 0.575 -3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.364 2.919 -7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.737 -0.135 -4.731 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.629 1.037 -6.726 1.00 0.00 H new ATOM 245 N ASP A 93 -4.977 3.324 -4.221 1.00 0.00 N ATOM 246 CA ASP A 93 -6.331 3.078 -3.735 1.00 0.00 C ATOM 247 C ASP A 93 -7.296 3.028 -4.919 1.00 0.00 C ATOM 248 O ASP A 93 -7.814 4.056 -5.352 1.00 0.00 O ATOM 249 CB ASP A 93 -6.744 4.195 -2.777 1.00 0.00 C ATOM 250 CG ASP A 93 -7.975 3.778 -1.979 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.341 2.620 -2.047 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.531 4.627 -1.302 1.00 0.00 O ATOM 0 H ASP A 93 -4.473 4.066 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.360 2.125 -3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.922 4.424 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.957 5.105 -3.338 1.00 0.00 H new ATOM 257 N LYS A 94 -7.505 1.827 -5.456 1.00 0.00 N ATOM 258 CA LYS A 94 -8.381 1.654 -6.614 1.00 0.00 C ATOM 259 C LYS A 94 -9.725 2.327 -6.358 1.00 0.00 C ATOM 260 O LYS A 94 -10.166 3.190 -7.119 1.00 0.00 O ATOM 261 CB LYS A 94 -8.585 0.138 -6.882 1.00 0.00 C ATOM 262 CG LYS A 94 -8.273 -0.216 -8.344 1.00 0.00 C ATOM 263 CD LYS A 94 -6.759 -0.328 -8.526 1.00 0.00 C ATOM 264 CE LYS A 94 -6.442 -0.637 -9.986 1.00 0.00 C ATOM 265 NZ LYS A 94 -4.967 -0.727 -10.159 1.00 0.00 N ATOM 0 H LYS A 94 -7.083 0.965 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.922 2.116 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.941 -0.441 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.613 -0.140 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.753 -1.157 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.675 0.549 -9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.277 0.603 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.362 -1.113 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.913 -1.575 -10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.849 0.142 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.746 -0.938 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.530 0.178 -9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.592 -1.485 -9.553 1.00 0.00 H new ATOM 279 N ASP A 95 -10.363 1.917 -5.274 1.00 0.00 N ATOM 280 CA ASP A 95 -11.657 2.461 -4.902 1.00 0.00 C ATOM 281 C ASP A 95 -11.514 3.907 -4.449 1.00 0.00 C ATOM 282 O ASP A 95 -12.450 4.490 -3.901 1.00 0.00 O ATOM 283 CB ASP A 95 -12.254 1.620 -3.774 1.00 0.00 C ATOM 284 CG ASP A 95 -12.731 0.274 -4.314 1.00 0.00 C ATOM 285 OD1 ASP A 95 -12.738 0.110 -5.523 1.00 0.00 O ATOM 286 OD2 ASP A 95 -13.082 -0.576 -3.511 1.00 0.00 O ATOM 0 H ASP A 95 -10.004 1.207 -4.635 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.318 2.433 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.509 1.463 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.088 2.152 -3.316 1.00 0.00 H new ATOM 291 N GLY A 96 -10.331 4.474 -4.696 1.00 0.00 N ATOM 292 CA GLY A 96 -10.038 5.859 -4.329 1.00 0.00 C ATOM 293 C GLY A 96 -10.781 6.283 -3.062 1.00 0.00 C ATOM 294 O GLY A 96 -11.435 7.325 -3.041 1.00 0.00 O ATOM 0 H GLY A 96 -9.557 3.991 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.965 5.975 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.316 6.519 -5.151 1.00 0.00 H new ATOM 298 N ASN A 97 -10.683 5.467 -2.006 1.00 0.00 N ATOM 299 CA ASN A 97 -11.363 5.776 -0.742 1.00 0.00 C ATOM 300 C ASN A 97 -10.401 6.379 0.282 1.00 0.00 C ATOM 301 O ASN A 97 -10.744 6.513 1.455 1.00 0.00 O ATOM 302 CB ASN A 97 -12.027 4.515 -0.171 1.00 0.00 C ATOM 303 CG ASN A 97 -11.049 3.347 -0.136 1.00 0.00 C ATOM 304 OD1 ASN A 97 -10.607 2.840 -1.256 1.00 0.00 O flip ATOM 305 ND2 ASN A 97 -10.685 2.872 0.940 1.00 0.00 N flip ATOM 0 H ASN A 97 -10.147 4.599 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.132 6.519 -0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.393 4.717 0.836 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.893 4.250 -0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.030 3.267 1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.039 2.083 0.957 1.00 0.00 H new ATOM 312 N GLY A 98 -9.215 6.768 -0.174 1.00 0.00 N ATOM 313 CA GLY A 98 -8.229 7.384 0.715 1.00 0.00 C ATOM 314 C GLY A 98 -7.678 6.380 1.722 1.00 0.00 C ATOM 315 O GLY A 98 -7.424 6.719 2.879 1.00 0.00 O ATOM 0 H GLY A 98 -8.912 6.670 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.410 7.794 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.688 8.218 1.246 1.00 0.00 H new ATOM 319 N TYR A 99 -7.496 5.149 1.271 1.00 0.00 N ATOM 320 CA TYR A 99 -6.967 4.095 2.131 1.00 0.00 C ATOM 321 C TYR A 99 -6.374 2.982 1.273 1.00 0.00 C ATOM 322 O TYR A 99 -6.576 2.971 0.062 1.00 0.00 O ATOM 323 CB TYR A 99 -8.073 3.550 3.025 1.00 0.00 C ATOM 324 CG TYR A 99 -8.323 4.515 4.164 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.423 4.576 5.236 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.447 5.345 4.148 1.00 0.00 C ATOM 327 CE1 TYR A 99 -7.650 5.468 6.290 1.00 0.00 C ATOM 328 CE2 TYR A 99 -9.676 6.237 5.202 1.00 0.00 C ATOM 329 CZ TYR A 99 -8.776 6.300 6.275 1.00 0.00 C ATOM 330 OH TYR A 99 -9.000 7.178 7.317 1.00 0.00 O ATOM 0 H TYR A 99 -7.705 4.853 0.318 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.181 4.505 2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.986 3.409 2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.790 2.573 3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.554 3.935 5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.140 5.298 3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.956 5.515 7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.546 6.877 5.189 1.00 0.00 H new ATOM 0 HH TYR A 99 -9.824 7.681 7.149 1.00 0.00 H new ATOM 340 N ILE A 100 -5.627 2.056 1.890 1.00 0.00 N ATOM 341 CA ILE A 100 -4.995 0.965 1.126 1.00 0.00 C ATOM 342 C ILE A 100 -5.439 -0.414 1.600 1.00 0.00 C ATOM 343 O ILE A 100 -5.162 -0.801 2.743 1.00 0.00 O ATOM 344 CB ILE A 100 -3.483 1.069 1.289 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.007 2.459 0.843 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.781 -0.006 0.458 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.379 2.722 -0.623 1.00 0.00 C ATOM 0 H ILE A 100 -5.446 2.036 2.894 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.298 1.072 0.084 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.234 0.919 2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.456 3.222 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.927 2.535 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.702 0.082 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.106 -0.992 0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.034 0.125 -0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.031 3.713 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.909 1.971 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.462 2.669 -0.739 1.00 0.00 H new ATOM 359 N SER A 101 -6.110 -1.159 0.699 1.00 0.00 N ATOM 360 CA SER A 101 -6.575 -2.518 0.992 1.00 0.00 C ATOM 361 C SER A 101 -5.645 -3.527 0.327 1.00 0.00 C ATOM 362 O SER A 101 -4.929 -3.194 -0.613 1.00 0.00 O ATOM 363 CB SER A 101 -8.009 -2.727 0.480 1.00 0.00 C ATOM 364 OG SER A 101 -8.920 -2.150 1.403 1.00 0.00 O ATOM 0 H SER A 101 -6.340 -0.835 -0.240 1.00 0.00 H new ATOM 0 HA SER A 101 -6.568 -2.662 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.128 -2.269 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.215 -3.791 0.363 1.00 0.00 H new ATOM 0 HG SER A 101 -9.611 -2.805 1.633 1.00 0.00 H new ATOM 370 N ALA A 102 -5.660 -4.752 0.839 1.00 0.00 N ATOM 371 CA ALA A 102 -4.804 -5.819 0.315 1.00 0.00 C ATOM 372 C ALA A 102 -5.140 -6.162 -1.135 1.00 0.00 C ATOM 373 O ALA A 102 -4.247 -6.433 -1.933 1.00 0.00 O ATOM 374 CB ALA A 102 -4.958 -7.078 1.197 1.00 0.00 C ATOM 0 H ALA A 102 -6.255 -5.035 1.618 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.774 -5.464 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.322 -7.874 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.663 -6.844 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.997 -7.406 1.185 1.00 0.00 H new ATOM 380 N ALA A 103 -6.420 -6.169 -1.467 1.00 0.00 N ATOM 381 CA ALA A 103 -6.838 -6.510 -2.817 1.00 0.00 C ATOM 382 C ALA A 103 -6.242 -5.553 -3.849 1.00 0.00 C ATOM 383 O ALA A 103 -5.931 -5.952 -4.975 1.00 0.00 O ATOM 384 CB ALA A 103 -8.363 -6.470 -2.894 1.00 0.00 C ATOM 0 H ALA A 103 -7.182 -5.945 -0.827 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.475 -7.512 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.683 -6.725 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.782 -7.188 -2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.714 -5.469 -2.644 1.00 0.00 H new ATOM 390 N GLU A 104 -6.096 -4.292 -3.472 1.00 0.00 N ATOM 391 CA GLU A 104 -5.554 -3.297 -4.383 1.00 0.00 C ATOM 392 C GLU A 104 -4.076 -3.556 -4.665 1.00 0.00 C ATOM 393 O GLU A 104 -3.607 -3.325 -5.780 1.00 0.00 O ATOM 394 CB GLU A 104 -5.712 -1.900 -3.778 1.00 0.00 C ATOM 395 CG GLU A 104 -7.181 -1.667 -3.439 1.00 0.00 C ATOM 396 CD GLU A 104 -7.375 -0.271 -2.848 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.652 0.071 -1.930 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.247 0.436 -3.325 1.00 0.00 O ATOM 0 H GLU A 104 -6.343 -3.936 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.105 -3.363 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.100 -1.807 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.364 -1.144 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.790 -1.777 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.521 -2.420 -2.728 1.00 0.00 H new ATOM 405 N LEU A 105 -3.338 -4.009 -3.648 1.00 0.00 N ATOM 406 CA LEU A 105 -1.907 -4.261 -3.812 1.00 0.00 C ATOM 407 C LEU A 105 -1.650 -5.380 -4.813 1.00 0.00 C ATOM 408 O LEU A 105 -0.876 -5.215 -5.746 1.00 0.00 O ATOM 409 CB LEU A 105 -1.292 -4.651 -2.470 1.00 0.00 C ATOM 410 CG LEU A 105 -1.695 -3.636 -1.400 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.949 -3.938 -0.097 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.364 -2.214 -1.866 1.00 0.00 C ATOM 0 H LEU A 105 -3.702 -4.206 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.451 -3.345 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.626 -5.648 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.206 -4.691 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.769 -3.710 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.238 -3.213 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.203 -4.942 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.125 -3.874 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.656 -1.501 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.293 -2.131 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.908 -1.997 -2.785 1.00 0.00 H new ATOM 424 N ARG A 106 -2.290 -6.522 -4.610 1.00 0.00 N ATOM 425 CA ARG A 106 -2.089 -7.645 -5.517 1.00 0.00 C ATOM 426 C ARG A 106 -2.522 -7.287 -6.937 1.00 0.00 C ATOM 427 O ARG A 106 -1.802 -7.563 -7.896 1.00 0.00 O ATOM 428 CB ARG A 106 -2.866 -8.875 -5.024 1.00 0.00 C ATOM 429 CG ARG A 106 -4.361 -8.555 -4.926 1.00 0.00 C ATOM 430 CD ARG A 106 -5.089 -9.730 -4.271 1.00 0.00 C ATOM 431 NE ARG A 106 -6.530 -9.519 -4.337 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.376 -10.242 -3.599 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.920 -11.142 -2.752 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.665 -10.052 -3.711 1.00 0.00 N ATOM 0 H ARG A 106 -2.940 -6.696 -3.843 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.025 -7.879 -5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.710 -9.710 -5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.489 -9.185 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.513 -7.647 -4.342 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.770 -8.367 -5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.825 -10.660 -4.775 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.774 -9.831 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.901 -8.803 -4.961 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.915 -11.290 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.572 -11.691 -2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.023 -9.352 -4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.313 -10.603 -3.148 1.00 0.00 H new ATOM 448 N HIS A 107 -3.694 -6.677 -7.070 1.00 0.00 N ATOM 449 CA HIS A 107 -4.208 -6.304 -8.388 1.00 0.00 C ATOM 450 C HIS A 107 -3.326 -5.260 -9.067 1.00 0.00 C ATOM 451 O HIS A 107 -2.893 -5.448 -10.199 1.00 0.00 O ATOM 452 CB HIS A 107 -5.612 -5.731 -8.229 1.00 0.00 C ATOM 453 CG HIS A 107 -6.299 -5.638 -9.565 1.00 0.00 C ATOM 454 ND1 HIS A 107 -5.999 -4.650 -10.493 1.00 0.00 N ATOM 455 CD2 HIS A 107 -7.297 -6.392 -10.132 1.00 0.00 C ATOM 456 CE1 HIS A 107 -6.806 -4.833 -11.555 1.00 0.00 C ATOM 457 NE2 HIS A 107 -7.617 -5.882 -11.387 1.00 0.00 N ATOM 0 H HIS A 107 -4.304 -6.431 -6.290 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.217 -7.199 -9.011 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.194 -6.362 -7.557 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.558 -4.743 -7.772 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -7.763 -7.251 -9.673 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.799 -4.208 -12.436 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.319 -6.233 -12.038 1.00 0.00 H new ATOM 466 N VAL A 108 -3.062 -4.161 -8.368 1.00 0.00 N ATOM 467 CA VAL A 108 -2.233 -3.107 -8.940 1.00 0.00 C ATOM 468 C VAL A 108 -0.827 -3.627 -9.236 1.00 0.00 C ATOM 469 O VAL A 108 -0.283 -3.370 -10.305 1.00 0.00 O ATOM 470 CB VAL A 108 -2.176 -1.890 -7.995 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.188 -2.141 -6.859 1.00 0.00 C ATOM 472 CG2 VAL A 108 -1.734 -0.652 -8.776 1.00 0.00 C ATOM 0 H VAL A 108 -3.402 -3.979 -7.424 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.683 -2.789 -9.881 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.170 -1.731 -7.576 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.161 -1.272 -6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.502 -3.016 -6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.195 -2.315 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.695 0.206 -8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.746 -0.825 -9.203 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.446 -0.454 -9.577 1.00 0.00 H new ATOM 482 N MET A 109 -0.232 -4.340 -8.282 1.00 0.00 N ATOM 483 CA MET A 109 1.119 -4.856 -8.481 1.00 0.00 C ATOM 484 C MET A 109 1.149 -5.749 -9.721 1.00 0.00 C ATOM 485 O MET A 109 2.012 -5.596 -10.594 1.00 0.00 O ATOM 486 CB MET A 109 1.543 -5.673 -7.254 1.00 0.00 C ATOM 487 CG MET A 109 1.944 -4.726 -6.115 1.00 0.00 C ATOM 488 SD MET A 109 3.517 -3.931 -6.522 1.00 0.00 S ATOM 489 CE MET A 109 3.280 -2.431 -5.539 1.00 0.00 C ATOM 0 H MET A 109 -0.654 -4.570 -7.382 1.00 0.00 H new ATOM 0 HA MET A 109 1.807 -4.022 -8.618 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.724 -6.317 -6.933 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.379 -6.324 -7.510 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.171 -3.972 -5.964 1.00 0.00 H new ATOM 0 HG3 MET A 109 2.035 -5.280 -5.181 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.151 -1.784 -5.647 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.391 -1.904 -5.887 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.155 -2.699 -4.490 1.00 0.00 H new ATOM 499 N THR A 110 0.191 -6.663 -9.808 1.00 0.00 N ATOM 500 CA THR A 110 0.111 -7.554 -10.957 1.00 0.00 C ATOM 501 C THR A 110 -0.157 -6.747 -12.225 1.00 0.00 C ATOM 502 O THR A 110 0.467 -6.971 -13.261 1.00 0.00 O ATOM 503 CB THR A 110 -1.002 -8.581 -10.750 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.690 -9.393 -9.625 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.130 -9.459 -11.997 1.00 0.00 C ATOM 0 H THR A 110 -0.534 -6.806 -9.105 1.00 0.00 H new ATOM 0 HA THR A 110 1.061 -8.078 -11.062 1.00 0.00 H new ATOM 0 HB THR A 110 -1.946 -8.064 -10.576 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.996 -8.949 -8.806 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.924 -10.190 -11.847 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.369 -8.835 -12.858 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.188 -9.978 -12.175 1.00 0.00 H new ATOM 513 N ASN A 111 -1.084 -5.801 -12.128 1.00 0.00 N ATOM 514 CA ASN A 111 -1.429 -4.953 -13.265 1.00 0.00 C ATOM 515 C ASN A 111 -0.219 -4.140 -13.708 1.00 0.00 C ATOM 516 O ASN A 111 0.022 -3.951 -14.900 1.00 0.00 O ATOM 517 CB ASN A 111 -2.557 -4.005 -12.870 1.00 0.00 C ATOM 518 CG ASN A 111 -2.996 -3.172 -14.072 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.975 -3.653 -15.206 1.00 0.00 O ATOM 520 ND2 ASN A 111 -3.398 -1.941 -13.889 1.00 0.00 N ATOM 0 H ASN A 111 -1.609 -5.601 -11.277 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.751 -5.588 -14.091 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.403 -4.576 -12.486 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.224 -3.348 -12.066 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.695 -1.378 -14.686 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.415 -1.544 -12.949 1.00 0.00 H new ATOM 527 N LEU A 112 0.541 -3.672 -12.729 1.00 0.00 N ATOM 528 CA LEU A 112 1.733 -2.883 -12.996 1.00 0.00 C ATOM 529 C LEU A 112 2.724 -3.702 -13.806 1.00 0.00 C ATOM 530 O LEU A 112 3.430 -3.169 -14.659 1.00 0.00 O ATOM 531 CB LEU A 112 2.375 -2.452 -11.668 1.00 0.00 C ATOM 532 CG LEU A 112 1.642 -1.224 -11.091 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.897 -1.133 -9.579 1.00 0.00 C ATOM 534 CD2 LEU A 112 2.148 0.066 -11.764 1.00 0.00 C ATOM 0 H LEU A 112 0.352 -3.826 -11.739 1.00 0.00 H new ATOM 0 HA LEU A 112 1.456 -1.996 -13.566 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.337 -3.275 -10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.427 -2.215 -11.825 1.00 0.00 H new ATOM 0 HG LEU A 112 0.575 -1.334 -11.282 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.378 -0.264 -9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.528 -2.036 -9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.967 -1.034 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.622 0.925 -11.347 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.218 0.174 -11.585 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.963 0.013 -12.837 1.00 0.00 H new ATOM 546 N GLY A 113 2.771 -5.001 -13.534 1.00 0.00 N ATOM 547 CA GLY A 113 3.686 -5.890 -14.249 1.00 0.00 C ATOM 548 C GLY A 113 4.379 -6.845 -13.288 1.00 0.00 C ATOM 549 O GLY A 113 5.153 -7.707 -13.709 1.00 0.00 O ATOM 0 H GLY A 113 2.193 -5.461 -12.831 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.135 -6.458 -14.999 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.431 -5.299 -14.781 1.00 0.00 H new ATOM 553 N GLU A 114 4.096 -6.697 -11.992 1.00 0.00 N ATOM 554 CA GLU A 114 4.695 -7.561 -10.970 1.00 0.00 C ATOM 555 C GLU A 114 3.613 -8.346 -10.233 1.00 0.00 C ATOM 556 O GLU A 114 2.835 -7.780 -9.463 1.00 0.00 O ATOM 557 CB GLU A 114 5.481 -6.708 -9.974 1.00 0.00 C ATOM 558 CG GLU A 114 6.129 -7.611 -8.924 1.00 0.00 C ATOM 559 CD GLU A 114 7.023 -6.789 -8.003 1.00 0.00 C ATOM 560 OE1 GLU A 114 6.986 -5.574 -8.103 1.00 0.00 O ATOM 561 OE2 GLU A 114 7.740 -7.388 -7.221 1.00 0.00 O ATOM 0 H GLU A 114 3.458 -5.990 -11.625 1.00 0.00 H new ATOM 0 HA GLU A 114 5.368 -8.267 -11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.246 -6.134 -10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.817 -5.990 -9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.358 -8.114 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.716 -8.388 -9.414 1.00 0.00 H new ATOM 568 N LYS A 115 3.570 -9.657 -10.479 1.00 0.00 N ATOM 569 CA LYS A 115 2.576 -10.524 -9.842 1.00 0.00 C ATOM 570 C LYS A 115 3.063 -11.012 -8.477 1.00 0.00 C ATOM 571 O LYS A 115 3.794 -11.998 -8.381 1.00 0.00 O ATOM 572 CB LYS A 115 2.277 -11.726 -10.749 1.00 0.00 C ATOM 573 CG LYS A 115 3.578 -12.229 -11.389 1.00 0.00 C ATOM 574 CD LYS A 115 3.341 -13.584 -12.071 1.00 0.00 C ATOM 575 CE LYS A 115 2.562 -13.391 -13.377 1.00 0.00 C ATOM 576 NZ LYS A 115 3.251 -12.379 -14.225 1.00 0.00 N ATOM 0 H LYS A 115 4.208 -10.140 -11.111 1.00 0.00 H new ATOM 0 HA LYS A 115 1.665 -9.945 -9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 115 1.813 -12.524 -10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 115 1.566 -11.441 -11.524 1.00 0.00 H new ATOM 0 HG2 LYS A 115 3.937 -11.504 -12.119 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.353 -12.326 -10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.296 -14.068 -12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 115 2.787 -14.244 -11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 115 2.488 -14.338 -13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 115 1.544 -13.067 -13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 3.022 -12.550 -15.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 2.933 -11.426 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.279 -12.453 -14.087 1.00 0.00 H new ATOM 590 N LEU A 116 2.644 -10.312 -7.427 1.00 0.00 N ATOM 591 CA LEU A 116 3.027 -10.668 -6.062 1.00 0.00 C ATOM 592 C LEU A 116 2.236 -11.897 -5.602 1.00 0.00 C ATOM 593 O LEU A 116 1.518 -12.517 -6.388 1.00 0.00 O ATOM 594 CB LEU A 116 2.754 -9.467 -5.114 1.00 0.00 C ATOM 595 CG LEU A 116 4.051 -8.988 -4.439 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.919 -8.236 -5.455 1.00 0.00 C ATOM 597 CD2 LEU A 116 3.700 -8.054 -3.279 1.00 0.00 C ATOM 0 H LEU A 116 2.039 -9.494 -7.494 1.00 0.00 H new ATOM 0 HA LEU A 116 4.090 -10.907 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.310 -8.647 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.030 -9.758 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 116 4.604 -9.850 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.836 -7.899 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.168 -8.900 -6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.371 -7.373 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.616 -7.712 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.147 -7.195 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.087 -8.589 -2.554 1.00 0.00 H new ATOM 609 N THR A 117 2.374 -12.231 -4.318 1.00 0.00 N ATOM 610 CA THR A 117 1.664 -13.374 -3.736 1.00 0.00 C ATOM 611 C THR A 117 0.601 -12.887 -2.750 1.00 0.00 C ATOM 612 O THR A 117 0.883 -12.088 -1.857 1.00 0.00 O ATOM 613 CB THR A 117 2.651 -14.295 -3.009 1.00 0.00 C ATOM 614 OG1 THR A 117 3.358 -13.553 -2.028 1.00 0.00 O ATOM 615 CG2 THR A 117 3.641 -14.886 -4.014 1.00 0.00 C ATOM 0 H THR A 117 2.970 -11.728 -3.661 1.00 0.00 H new ATOM 0 HA THR A 117 1.181 -13.929 -4.541 1.00 0.00 H new ATOM 0 HB THR A 117 2.101 -15.103 -2.527 1.00 0.00 H new ATOM 0 HG1 THR A 117 3.889 -12.855 -2.465 1.00 0.00 H new ATOM 0 HG21 THR A 117 4.341 -15.540 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.098 -15.460 -4.765 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.191 -14.080 -4.500 1.00 0.00 H new ATOM 623 N ASP A 118 -0.625 -13.374 -2.928 1.00 0.00 N ATOM 624 CA ASP A 118 -1.734 -12.979 -2.065 1.00 0.00 C ATOM 625 C ASP A 118 -1.387 -13.230 -0.601 1.00 0.00 C ATOM 626 O ASP A 118 -1.785 -12.467 0.280 1.00 0.00 O ATOM 627 CB ASP A 118 -2.991 -13.774 -2.426 1.00 0.00 C ATOM 628 CG ASP A 118 -3.560 -13.284 -3.756 1.00 0.00 C ATOM 629 OD1 ASP A 118 -3.159 -12.225 -4.197 1.00 0.00 O ATOM 630 OD2 ASP A 118 -4.391 -13.980 -4.314 1.00 0.00 O ATOM 0 H ASP A 118 -0.874 -14.040 -3.659 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.919 -11.915 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.752 -14.835 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.738 -13.664 -1.640 1.00 0.00 H new ATOM 635 N GLU A 119 -0.648 -14.306 -0.350 1.00 0.00 N ATOM 636 CA GLU A 119 -0.258 -14.652 1.011 1.00 0.00 C ATOM 637 C GLU A 119 0.632 -13.562 1.606 1.00 0.00 C ATOM 638 O GLU A 119 0.501 -13.212 2.778 1.00 0.00 O ATOM 639 CB GLU A 119 0.495 -15.985 1.006 1.00 0.00 C ATOM 640 CG GLU A 119 -0.455 -17.094 0.554 1.00 0.00 C ATOM 641 CD GLU A 119 0.292 -18.421 0.413 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.480 -18.446 0.691 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.335 -19.394 0.023 1.00 0.00 O ATOM 0 H GLU A 119 -0.310 -14.949 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.157 -14.741 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.354 -15.929 0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.881 -16.203 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.265 -17.202 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.910 -16.824 -0.399 1.00 0.00 H new ATOM 650 N GLU A 120 1.505 -12.993 0.780 1.00 0.00 N ATOM 651 CA GLU A 120 2.377 -11.910 1.240 1.00 0.00 C ATOM 652 C GLU A 120 1.586 -10.611 1.353 1.00 0.00 C ATOM 653 O GLU A 120 1.612 -9.947 2.384 1.00 0.00 O ATOM 654 CB GLU A 120 3.549 -11.715 0.278 1.00 0.00 C ATOM 655 CG GLU A 120 4.497 -12.911 0.376 1.00 0.00 C ATOM 656 CD GLU A 120 5.595 -12.797 -0.679 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.572 -11.834 -1.426 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.438 -13.676 -0.725 1.00 0.00 O ATOM 0 H GLU A 120 1.629 -13.257 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 120 2.769 -12.181 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.181 -11.612 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.082 -10.795 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.941 -12.953 1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.941 -13.838 0.235 1.00 0.00 H new ATOM 665 N VAL A 121 0.862 -10.273 0.287 1.00 0.00 N ATOM 666 CA VAL A 121 0.043 -9.065 0.280 1.00 0.00 C ATOM 667 C VAL A 121 -0.880 -9.067 1.496 1.00 0.00 C ATOM 668 O VAL A 121 -0.743 -8.244 2.401 1.00 0.00 O ATOM 669 CB VAL A 121 -0.788 -9.012 -1.013 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.966 -8.041 -0.863 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.097 -8.551 -2.176 1.00 0.00 C ATOM 0 H VAL A 121 0.827 -10.815 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 121 0.688 -8.187 0.324 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.177 -10.011 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.540 -8.019 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.608 -8.371 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.588 -7.042 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.494 -8.514 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.494 -7.559 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.922 -9.251 -2.305 1.00 0.00 H new ATOM 681 N ASP A 122 -1.816 -10.009 1.505 1.00 0.00 N ATOM 682 CA ASP A 122 -2.764 -10.130 2.603 1.00 0.00 C ATOM 683 C ASP A 122 -2.038 -10.016 3.939 1.00 0.00 C ATOM 684 O ASP A 122 -2.487 -9.299 4.832 1.00 0.00 O ATOM 685 CB ASP A 122 -3.469 -11.485 2.498 1.00 0.00 C ATOM 686 CG ASP A 122 -4.686 -11.533 3.415 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.755 -10.726 4.325 1.00 0.00 O ATOM 688 OD2 ASP A 122 -5.533 -12.383 3.192 1.00 0.00 O ATOM 0 H ASP A 122 -1.938 -10.699 0.764 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.500 -9.328 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.777 -11.661 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.776 -12.283 2.764 1.00 0.00 H new ATOM 693 N GLU A 123 -0.900 -10.700 4.063 1.00 0.00 N ATOM 694 CA GLU A 123 -0.122 -10.627 5.293 1.00 0.00 C ATOM 695 C GLU A 123 0.553 -9.257 5.445 1.00 0.00 C ATOM 696 O GLU A 123 0.751 -8.771 6.558 1.00 0.00 O ATOM 697 CB GLU A 123 0.934 -11.737 5.317 1.00 0.00 C ATOM 698 CG GLU A 123 0.253 -13.084 5.578 1.00 0.00 C ATOM 699 CD GLU A 123 1.271 -14.214 5.473 1.00 0.00 C ATOM 700 OE1 GLU A 123 2.440 -13.916 5.290 1.00 0.00 O ATOM 701 OE2 GLU A 123 0.867 -15.360 5.575 1.00 0.00 O ATOM 0 H GLU A 123 -0.504 -11.300 3.339 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.806 -10.763 6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.469 -11.766 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.672 -11.534 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.202 -13.085 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.551 -13.240 4.858 1.00 0.00 H new ATOM 708 N MET A 124 0.919 -8.650 4.313 1.00 0.00 N ATOM 709 CA MET A 124 1.591 -7.346 4.315 1.00 0.00 C ATOM 710 C MET A 124 0.831 -6.335 5.165 1.00 0.00 C ATOM 711 O MET A 124 1.321 -5.882 6.201 1.00 0.00 O ATOM 712 CB MET A 124 1.681 -6.825 2.878 1.00 0.00 C ATOM 713 CG MET A 124 2.738 -5.722 2.787 1.00 0.00 C ATOM 714 SD MET A 124 2.651 -4.937 1.153 1.00 0.00 S ATOM 715 CE MET A 124 3.438 -6.258 0.195 1.00 0.00 C ATOM 0 H MET A 124 0.762 -9.040 3.384 1.00 0.00 H new ATOM 0 HA MET A 124 2.587 -7.473 4.739 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.936 -7.641 2.202 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.712 -6.439 2.561 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.573 -4.980 3.568 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.731 -6.141 2.949 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.127 -5.822 -0.528 1.00 0.00 H new ATOM 0 HE2 MET A 124 3.987 -6.917 0.867 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.674 -6.831 -0.331 1.00 0.00 H new ATOM 725 N ILE A 125 -0.362 -5.978 4.714 1.00 0.00 N ATOM 726 CA ILE A 125 -1.175 -5.007 5.436 1.00 0.00 C ATOM 727 C ILE A 125 -1.398 -5.478 6.873 1.00 0.00 C ATOM 728 O ILE A 125 -1.320 -4.694 7.817 1.00 0.00 O ATOM 729 CB ILE A 125 -2.541 -4.828 4.729 1.00 0.00 C ATOM 730 CG1 ILE A 125 -2.365 -3.927 3.493 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.571 -4.201 5.697 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.668 -3.884 2.690 1.00 0.00 C ATOM 0 H ILE A 125 -0.787 -6.341 3.861 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.651 -4.051 5.449 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.910 -5.805 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -2.085 -2.920 3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.555 -4.305 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.526 -4.082 5.185 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.702 -4.852 6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.213 -3.226 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.536 -3.245 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.929 -4.891 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.467 -3.485 3.315 1.00 0.00 H new ATOM 744 N ARG A 126 -1.694 -6.753 7.028 1.00 0.00 N ATOM 745 CA ARG A 126 -1.953 -7.307 8.344 1.00 0.00 C ATOM 746 C ARG A 126 -0.822 -6.977 9.312 1.00 0.00 C ATOM 747 O ARG A 126 -1.069 -6.663 10.478 1.00 0.00 O ATOM 748 CB ARG A 126 -2.118 -8.820 8.227 1.00 0.00 C ATOM 749 CG ARG A 126 -3.430 -9.161 7.475 1.00 0.00 C ATOM 750 CD ARG A 126 -4.582 -9.352 8.464 1.00 0.00 C ATOM 751 NE ARG A 126 -4.882 -8.101 9.141 1.00 0.00 N ATOM 752 CZ ARG A 126 -5.546 -8.093 10.291 1.00 0.00 C ATOM 753 NH1 ARG A 126 -5.928 -9.224 10.825 1.00 0.00 N ATOM 754 NH2 ARG A 126 -5.807 -6.963 10.893 1.00 0.00 N ATOM 0 H ARG A 126 -1.761 -7.424 6.263 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.868 -6.864 8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.266 -9.246 7.697 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.133 -9.269 9.220 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.673 -8.362 6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.294 -10.069 6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -5.467 -9.709 7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.318 -10.115 9.196 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.579 -7.219 8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.716 -10.106 10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -6.438 -9.224 11.708 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.500 -6.082 10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -6.317 -6.962 11.776 1.00 0.00 H new ATOM 768 N GLU A 127 0.423 -7.047 8.841 1.00 0.00 N ATOM 769 CA GLU A 127 1.560 -6.743 9.703 1.00 0.00 C ATOM 770 C GLU A 127 1.823 -5.239 9.735 1.00 0.00 C ATOM 771 O GLU A 127 2.151 -4.682 10.784 1.00 0.00 O ATOM 772 CB GLU A 127 2.805 -7.495 9.216 1.00 0.00 C ATOM 773 CG GLU A 127 2.588 -9.004 9.387 1.00 0.00 C ATOM 774 CD GLU A 127 3.788 -9.772 8.840 1.00 0.00 C ATOM 775 OE1 GLU A 127 4.758 -9.132 8.467 1.00 0.00 O ATOM 776 OE2 GLU A 127 3.718 -10.990 8.795 1.00 0.00 O ATOM 0 H GLU A 127 0.666 -7.307 7.885 1.00 0.00 H new ATOM 0 HA GLU A 127 1.326 -7.070 10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.999 -7.261 8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.681 -7.176 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.444 -9.241 10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.682 -9.310 8.865 1.00 0.00 H new ATOM 783 N ALA A 128 1.671 -4.586 8.584 1.00 0.00 N ATOM 784 CA ALA A 128 1.895 -3.143 8.499 1.00 0.00 C ATOM 785 C ALA A 128 0.867 -2.385 9.335 1.00 0.00 C ATOM 786 O ALA A 128 1.221 -1.590 10.207 1.00 0.00 O ATOM 787 CB ALA A 128 1.799 -2.688 7.041 1.00 0.00 C ATOM 0 H ALA A 128 1.397 -5.027 7.706 1.00 0.00 H new ATOM 0 HA ALA A 128 2.890 -2.927 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.967 -1.612 6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.554 -3.205 6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.808 -2.922 6.651 1.00 0.00 H new ATOM 793 N ASP A 129 -0.410 -2.633 9.053 1.00 0.00 N ATOM 794 CA ASP A 129 -1.491 -1.959 9.773 1.00 0.00 C ATOM 795 C ASP A 129 -1.200 -1.920 11.263 1.00 0.00 C ATOM 796 O ASP A 129 -0.830 -2.932 11.856 1.00 0.00 O ATOM 797 CB ASP A 129 -2.806 -2.696 9.530 1.00 0.00 C ATOM 798 CG ASP A 129 -3.966 -1.967 10.198 1.00 0.00 C ATOM 799 OD1 ASP A 129 -3.746 -1.346 11.222 1.00 0.00 O ATOM 800 OD2 ASP A 129 -5.064 -2.051 9.677 1.00 0.00 O ATOM 0 H ASP A 129 -0.721 -3.290 8.337 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.568 -0.936 9.405 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.990 -2.777 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.736 -3.712 9.919 1.00 0.00 H new ATOM 805 N ILE A 130 -1.363 -0.741 11.860 1.00 0.00 N ATOM 806 CA ILE A 130 -1.110 -0.568 13.295 1.00 0.00 C ATOM 807 C ILE A 130 -2.380 -0.816 14.099 1.00 0.00 C ATOM 808 O ILE A 130 -2.327 -1.299 15.233 1.00 0.00 O ATOM 809 CB ILE A 130 -0.580 0.845 13.588 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.709 1.062 12.794 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.280 0.986 15.094 1.00 0.00 C ATOM 812 CD1 ILE A 130 1.278 2.458 13.093 1.00 0.00 C ATOM 0 H ILE A 130 -1.667 0.106 11.379 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.355 -1.297 13.591 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.327 1.585 13.300 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.441 0.298 13.056 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.511 0.961 11.727 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.095 1.989 15.298 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.194 0.818 15.664 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.470 0.251 15.386 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.196 2.606 12.524 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.549 3.217 12.809 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.493 2.543 14.158 1.00 0.00 H new ATOM 824 N ASP A 131 -3.517 -0.476 13.508 1.00 0.00 N ATOM 825 CA ASP A 131 -4.812 -0.654 14.174 1.00 0.00 C ATOM 826 C ASP A 131 -5.424 -2.010 13.829 1.00 0.00 C ATOM 827 O ASP A 131 -6.463 -2.390 14.370 1.00 0.00 O ATOM 828 CB ASP A 131 -5.769 0.461 13.743 1.00 0.00 C ATOM 829 CG ASP A 131 -5.284 1.804 14.285 1.00 0.00 C ATOM 830 OD1 ASP A 131 -4.398 1.796 15.123 1.00 0.00 O ATOM 831 OD2 ASP A 131 -5.800 2.819 13.848 1.00 0.00 O ATOM 0 H ASP A 131 -3.575 -0.076 12.572 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.652 -0.611 15.251 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.830 0.499 12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.773 0.252 14.111 1.00 0.00 H new ATOM 836 N GLY A 132 -4.770 -2.732 12.920 1.00 0.00 N ATOM 837 CA GLY A 132 -5.249 -4.046 12.499 1.00 0.00 C ATOM 838 C GLY A 132 -6.731 -3.998 12.138 1.00 0.00 C ATOM 839 O GLY A 132 -7.553 -4.681 12.751 1.00 0.00 O ATOM 0 H GLY A 132 -3.910 -2.430 12.463 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.673 -4.389 11.640 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.089 -4.769 13.299 1.00 0.00 H new ATOM 843 N ASP A 133 -7.065 -3.175 11.143 1.00 0.00 N ATOM 844 CA ASP A 133 -8.452 -3.024 10.698 1.00 0.00 C ATOM 845 C ASP A 133 -8.595 -3.436 9.236 1.00 0.00 C ATOM 846 O ASP A 133 -9.646 -3.929 8.821 1.00 0.00 O ATOM 847 CB ASP A 133 -8.883 -1.569 10.864 1.00 0.00 C ATOM 848 CG ASP A 133 -7.858 -0.650 10.212 1.00 0.00 C ATOM 849 OD1 ASP A 133 -6.715 -0.672 10.636 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.229 0.060 9.294 1.00 0.00 O ATOM 0 H ASP A 133 -6.395 -2.603 10.630 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.087 -3.669 11.305 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -9.862 -1.416 10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.980 -1.327 11.922 1.00 0.00 H new ATOM 855 N GLY A 134 -7.530 -3.235 8.455 1.00 0.00 N ATOM 856 CA GLY A 134 -7.539 -3.593 7.030 1.00 0.00 C ATOM 857 C GLY A 134 -7.274 -2.381 6.138 1.00 0.00 C ATOM 858 O GLY A 134 -7.209 -2.506 4.914 1.00 0.00 O ATOM 0 H GLY A 134 -6.653 -2.828 8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.782 -4.355 6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.503 -4.031 6.771 1.00 0.00 H new ATOM 862 N GLN A 135 -7.110 -1.214 6.752 1.00 0.00 N ATOM 863 CA GLN A 135 -6.841 0.015 5.999 1.00 0.00 C ATOM 864 C GLN A 135 -5.521 0.609 6.457 1.00 0.00 C ATOM 865 O GLN A 135 -5.360 0.953 7.630 1.00 0.00 O ATOM 866 CB GLN A 135 -7.977 1.026 6.210 1.00 0.00 C ATOM 867 CG GLN A 135 -9.313 0.388 5.803 1.00 0.00 C ATOM 868 CD GLN A 135 -9.267 -0.099 4.353 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.091 0.696 3.430 1.00 0.00 O ATOM 870 NE2 GLN A 135 -9.402 -1.374 4.100 1.00 0.00 N ATOM 0 H GLN A 135 -7.157 -1.089 7.763 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.781 -0.221 4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.013 1.336 7.254 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.795 1.923 5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.537 -0.449 6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.118 1.113 5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -9.548 -2.033 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -9.361 -1.710 3.138 1.00 0.00 H new ATOM 879 N VAL A 136 -4.580 0.743 5.515 1.00 0.00 N ATOM 880 CA VAL A 136 -3.263 1.315 5.831 1.00 0.00 C ATOM 881 C VAL A 136 -3.107 2.687 5.193 1.00 0.00 C ATOM 882 O VAL A 136 -3.294 2.853 3.984 1.00 0.00 O ATOM 883 CB VAL A 136 -2.141 0.404 5.329 1.00 0.00 C ATOM 884 CG1 VAL A 136 -0.802 0.911 5.851 1.00 0.00 C ATOM 885 CG2 VAL A 136 -2.372 -1.018 5.819 1.00 0.00 C ATOM 0 H VAL A 136 -4.701 0.468 4.540 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.196 1.408 6.915 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.134 0.411 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.003 0.262 5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.633 1.926 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.812 0.908 6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -1.570 -1.662 5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.385 -1.030 6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.327 -1.382 5.441 1.00 0.00 H new ATOM 895 N ASN A 137 -2.757 3.664 6.025 1.00 0.00 N ATOM 896 CA ASN A 137 -2.570 5.029 5.554 1.00 0.00 C ATOM 897 C ASN A 137 -1.333 5.107 4.666 1.00 0.00 C ATOM 898 O ASN A 137 -0.960 4.122 4.029 1.00 0.00 O ATOM 899 CB ASN A 137 -2.436 5.991 6.736 1.00 0.00 C ATOM 900 CG ASN A 137 -1.321 5.524 7.653 1.00 0.00 C ATOM 901 OD1 ASN A 137 -0.151 5.239 7.151 1.00 0.00 O flip ATOM 902 ND2 ASN A 137 -1.522 5.409 8.860 1.00 0.00 N flip ATOM 0 H ASN A 137 -2.598 3.535 7.024 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.444 5.321 4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.225 6.998 6.375 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.376 6.039 7.286 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -2.438 5.633 9.248 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.772 5.090 9.474 1.00 0.00 H new ATOM 909 N TYR A 138 -0.709 6.280 4.616 1.00 0.00 N ATOM 910 CA TYR A 138 0.479 6.466 3.792 1.00 0.00 C ATOM 911 C TYR A 138 1.748 6.019 4.528 1.00 0.00 C ATOM 912 O TYR A 138 2.490 5.179 4.028 1.00 0.00 O ATOM 913 CB TYR A 138 0.599 7.945 3.409 1.00 0.00 C ATOM 914 CG TYR A 138 -0.731 8.427 2.865 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.156 8.020 1.596 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.541 9.276 3.634 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.389 8.458 1.095 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.774 9.714 3.133 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.198 9.306 1.863 1.00 0.00 C ATOM 920 OH TYR A 138 -4.413 9.739 1.370 1.00 0.00 O ATOM 0 H TYR A 138 -1.004 7.109 5.132 1.00 0.00 H new ATOM 0 HA TYR A 138 0.377 5.852 2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.886 8.536 4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.381 8.077 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -0.533 7.368 1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -1.214 9.592 4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -2.716 8.142 0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.397 10.366 3.727 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.846 10.319 2.031 1.00 0.00 H new ATOM 930 N GLU A 139 1.994 6.585 5.714 1.00 0.00 N ATOM 931 CA GLU A 139 3.192 6.237 6.486 1.00 0.00 C ATOM 932 C GLU A 139 3.232 4.746 6.803 1.00 0.00 C ATOM 933 O GLU A 139 4.102 4.022 6.295 1.00 0.00 O ATOM 934 CB GLU A 139 3.244 7.059 7.771 1.00 0.00 C ATOM 935 CG GLU A 139 3.473 8.527 7.403 1.00 0.00 C ATOM 936 CD GLU A 139 4.867 8.711 6.802 1.00 0.00 C ATOM 937 OE1 GLU A 139 5.713 7.867 7.051 1.00 0.00 O ATOM 938 OE2 GLU A 139 5.065 9.690 6.100 1.00 0.00 O ATOM 0 H GLU A 139 1.389 7.277 6.156 1.00 0.00 H new ATOM 0 HA GLU A 139 4.067 6.471 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.314 6.949 8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.046 6.701 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.716 8.853 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.366 9.152 8.289 1.00 0.00 H new ATOM 945 N GLU A 140 2.303 4.313 7.669 1.00 0.00 N ATOM 946 CA GLU A 140 2.199 2.903 8.086 1.00 0.00 C ATOM 947 C GLU A 140 2.639 1.994 6.946 1.00 0.00 C ATOM 948 O GLU A 140 3.180 0.910 7.161 1.00 0.00 O ATOM 949 CB GLU A 140 0.742 2.561 8.442 1.00 0.00 C ATOM 950 CG GLU A 140 0.300 3.310 9.699 1.00 0.00 C ATOM 951 CD GLU A 140 -1.181 3.062 9.964 1.00 0.00 C ATOM 952 OE1 GLU A 140 -1.779 2.293 9.233 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.698 3.646 10.899 1.00 0.00 O ATOM 0 H GLU A 140 1.607 4.923 8.098 1.00 0.00 H new ATOM 0 HA GLU A 140 2.838 2.754 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 140 0.089 2.822 7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.644 1.487 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.890 2.981 10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.482 4.378 9.578 1.00 0.00 H new ATOM 960 N PHE A 141 2.413 2.475 5.722 1.00 0.00 N ATOM 961 CA PHE A 141 2.794 1.743 4.522 1.00 0.00 C ATOM 962 C PHE A 141 4.223 2.097 4.099 1.00 0.00 C ATOM 963 O PHE A 141 5.050 1.208 3.906 1.00 0.00 O ATOM 964 CB PHE A 141 1.825 2.086 3.382 1.00 0.00 C ATOM 965 CG PHE A 141 1.784 0.951 2.380 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.938 0.589 1.667 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.588 0.253 2.169 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.892 -0.462 0.749 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.546 -0.796 1.249 1.00 0.00 C ATOM 970 CZ PHE A 141 1.697 -1.153 0.538 1.00 0.00 C ATOM 0 H PHE A 141 1.965 3.373 5.540 1.00 0.00 H new ATOM 0 HA PHE A 141 2.749 0.676 4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.827 2.265 3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.140 3.006 2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.862 1.124 1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.301 0.526 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.781 -0.741 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.377 -1.333 1.086 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.661 -1.964 -0.175 1.00 0.00 H new ATOM 980 N VAL A 142 4.498 3.398 3.928 1.00 0.00 N ATOM 981 CA VAL A 142 5.827 3.851 3.494 1.00 0.00 C ATOM 982 C VAL A 142 6.925 3.004 4.124 1.00 0.00 C ATOM 983 O VAL A 142 7.698 2.358 3.424 1.00 0.00 O ATOM 984 CB VAL A 142 6.035 5.319 3.885 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.515 5.710 3.728 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.165 6.230 2.999 1.00 0.00 C ATOM 0 H VAL A 142 3.825 4.149 4.082 1.00 0.00 H new ATOM 0 HA VAL A 142 5.881 3.746 2.410 1.00 0.00 H new ATOM 0 HB VAL A 142 5.743 5.444 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.647 6.755 4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.128 5.080 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.820 5.572 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.320 7.271 3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.444 6.095 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.115 5.970 3.131 1.00 0.00 H new ATOM 996 N GLN A 143 7.008 3.033 5.449 1.00 0.00 N ATOM 997 CA GLN A 143 8.049 2.270 6.136 1.00 0.00 C ATOM 998 C GLN A 143 8.208 0.879 5.519 1.00 0.00 C ATOM 999 O GLN A 143 9.215 0.588 4.871 1.00 0.00 O ATOM 1000 CB GLN A 143 7.681 2.140 7.612 1.00 0.00 C ATOM 1001 CG GLN A 143 7.841 3.497 8.299 1.00 0.00 C ATOM 1002 CD GLN A 143 7.356 3.415 9.743 1.00 0.00 C ATOM 1003 OE1 GLN A 143 7.705 2.482 10.464 1.00 0.00 O ATOM 1004 NE2 GLN A 143 6.561 4.346 10.210 1.00 0.00 N ATOM 0 H GLN A 143 6.385 3.562 6.059 1.00 0.00 H new ATOM 0 HA GLN A 143 8.997 2.798 6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.654 1.789 7.712 1.00 0.00 H new ATOM 0 HB3 GLN A 143 8.320 1.399 8.093 1.00 0.00 H new ATOM 0 HG2 GLN A 143 8.887 3.804 8.275 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.274 4.255 7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 143 6.273 5.119 9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 143 6.230 4.298 11.174 1.00 0.00 H new ATOM 1013 N MET A 144 7.214 0.021 5.730 1.00 0.00 N ATOM 1014 CA MET A 144 7.266 -1.340 5.199 1.00 0.00 C ATOM 1015 C MET A 144 7.800 -1.341 3.771 1.00 0.00 C ATOM 1016 O MET A 144 8.672 -2.145 3.438 1.00 0.00 O ATOM 1017 CB MET A 144 5.869 -1.958 5.222 1.00 0.00 C ATOM 1018 CG MET A 144 5.471 -2.268 6.666 1.00 0.00 C ATOM 1019 SD MET A 144 6.481 -3.629 7.311 1.00 0.00 S ATOM 1020 CE MET A 144 5.316 -4.972 6.958 1.00 0.00 C ATOM 0 H MET A 144 6.370 0.240 6.259 1.00 0.00 H new ATOM 0 HA MET A 144 7.937 -1.929 5.824 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.149 -1.272 4.775 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.854 -2.870 4.626 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.603 -1.381 7.286 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.415 -2.535 6.711 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.745 -5.920 7.282 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.383 -4.794 7.493 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.118 -5.010 5.887 1.00 0.00 H new ATOM 1030 N MET A 145 7.262 -0.448 2.934 1.00 0.00 N ATOM 1031 CA MET A 145 7.680 -0.350 1.529 1.00 0.00 C ATOM 1032 C MET A 145 9.163 -0.707 1.366 1.00 0.00 C ATOM 1033 O MET A 145 10.041 0.065 1.747 1.00 0.00 O ATOM 1034 CB MET A 145 7.448 1.084 1.016 1.00 0.00 C ATOM 1035 CG MET A 145 7.308 1.087 -0.516 1.00 0.00 C ATOM 1036 SD MET A 145 7.807 2.704 -1.166 1.00 0.00 S ATOM 1037 CE MET A 145 6.223 3.540 -0.928 1.00 0.00 C ATOM 0 H MET A 145 6.537 0.217 3.203 1.00 0.00 H new ATOM 0 HA MET A 145 7.085 -1.057 0.950 1.00 0.00 H new ATOM 0 HB2 MET A 145 6.549 1.499 1.471 1.00 0.00 H new ATOM 0 HB3 MET A 145 8.280 1.723 1.313 1.00 0.00 H new ATOM 0 HG2 MET A 145 7.927 0.302 -0.950 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.277 0.872 -0.798 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.335 4.601 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.478 3.106 -1.595 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.899 3.418 0.106 1.00 0.00 H new ATOM 1047 N THR A 146 9.427 -1.876 0.790 1.00 0.00 N ATOM 1048 CA THR A 146 10.803 -2.314 0.578 1.00 0.00 C ATOM 1049 C THR A 146 11.431 -1.586 -0.608 1.00 0.00 C ATOM 1050 O THR A 146 12.518 -1.015 -0.498 1.00 0.00 O ATOM 1051 CB THR A 146 10.836 -3.823 0.338 1.00 0.00 C ATOM 1052 OG1 THR A 146 10.060 -4.472 1.336 1.00 0.00 O ATOM 1053 CG2 THR A 146 12.282 -4.318 0.410 1.00 0.00 C ATOM 0 H THR A 146 8.716 -2.531 0.465 1.00 0.00 H new ATOM 0 HA THR A 146 11.380 -2.076 1.471 1.00 0.00 H new ATOM 0 HB THR A 146 10.426 -4.048 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 146 10.077 -5.440 1.185 1.00 0.00 H new ATOM 0 HG21 THR A 146 12.307 -5.394 0.239 1.00 0.00 H new ATOM 0 HG22 THR A 146 12.877 -3.815 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 146 12.693 -4.097 1.395 1.00 0.00 H new ATOM 1061 N ALA A 147 10.740 -1.615 -1.742 1.00 0.00 N ATOM 1062 CA ALA A 147 11.231 -0.966 -2.948 1.00 0.00 C ATOM 1063 C ALA A 147 11.560 0.494 -2.670 1.00 0.00 C ATOM 1064 O ALA A 147 10.895 1.139 -1.857 1.00 0.00 O ATOM 1065 CB ALA A 147 10.171 -1.052 -4.047 1.00 0.00 C ATOM 0 H ALA A 147 9.839 -2.081 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 147 12.138 -1.475 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 147 10.542 -0.565 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 147 9.954 -2.098 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 147 9.260 -0.554 -3.714 1.00 0.00 H new ATOM 1071 N LYS A 148 12.585 1.012 -3.343 1.00 0.00 N ATOM 1072 CA LYS A 148 12.981 2.404 -3.147 1.00 0.00 C ATOM 1073 C LYS A 148 12.012 3.338 -3.864 1.00 0.00 C ATOM 1074 O LYS A 148 11.002 2.852 -4.343 1.00 0.00 O ATOM 1075 CB LYS A 148 14.414 2.630 -3.660 1.00 0.00 C ATOM 1076 CG LYS A 148 14.506 2.245 -5.141 1.00 0.00 C ATOM 1077 CD LYS A 148 15.928 2.507 -5.656 1.00 0.00 C ATOM 1078 CE LYS A 148 16.002 2.199 -7.155 1.00 0.00 C ATOM 1079 NZ LYS A 148 15.672 0.765 -7.389 1.00 0.00 N ATOM 1080 OXT LYS A 148 12.289 4.524 -3.916 1.00 0.00 O ATOM 0 H LYS A 148 13.149 0.498 -4.019 1.00 0.00 H new ATOM 0 HA LYS A 148 12.953 2.624 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 148 14.696 3.675 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 148 15.116 2.035 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 148 14.250 1.193 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 148 13.786 2.822 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 148 16.205 3.546 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 148 16.641 1.888 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 148 15.307 2.836 -7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 148 17.001 2.419 -7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 15.979 0.489 -8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 16.161 0.177 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 14.645 0.627 -7.302 1.00 0.00 H new TER 1094 LYS A 148 HETATM 1095 CA CA A 201 -8.401 0.915 0.449 1.00 0.00 CA HETATM 1096 CA CA A 202 -4.377 0.900 10.053 1.00 0.00 CA