USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 98 SER OG : rot 69:sc= 0.406 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -147:sc= -0.421 (180deg=-1.55!) USER MOD Single : A 107 ASN : amide:sc= -0.206 K(o=-0.21,f=-2!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -156:sc= -0.0483 (180deg=-0.675) USER MOD Single : A 120 MET CE :methyl 164:sc= -6.71! (180deg=-7.7!) USER MOD Single : A 122 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.78) USER MOD Single : A 124 THR OG1 : rot 26:sc= -1.46 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -7:sc= 2.01 USER MOD Single : A 137 MET CE :methyl 159:sc= -3.27 (180deg=-4.43!) USER MOD Single : A 138 LYS NZ :NH3+ -156:sc= -0.0155 (180deg=-0.326) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.567 X(o=-0.57,f=-0.16) USER MOD Single : A 144 ASN :FLIP amide:sc= 0.559 F(o=0,f=0.56) USER MOD Single : A 157 MET CE :methyl 157:sc= -0.0443 (180deg=-0.316) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 93 3.736 14.180 -0.329 1.00 0.00 N ATOM 72 CA SER A 93 4.400 13.334 0.655 1.00 0.00 C ATOM 73 C SER A 93 3.387 12.707 1.607 1.00 0.00 C ATOM 74 O SER A 93 3.416 11.501 1.855 1.00 0.00 O ATOM 75 CB SER A 93 5.426 14.146 1.447 1.00 0.00 C ATOM 76 OG SER A 93 6.085 13.338 2.407 1.00 0.00 O ATOM 0 HA SER A 93 4.913 12.534 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.159 14.576 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.929 14.978 1.947 1.00 0.00 H new ATOM 0 HG SER A 93 6.737 13.880 2.899 1.00 0.00 H new ATOM 82 N GLU A 94 2.491 13.533 2.138 1.00 0.00 N ATOM 83 CA GLU A 94 1.469 13.059 3.064 1.00 0.00 C ATOM 84 C GLU A 94 0.089 13.091 2.413 1.00 0.00 C ATOM 85 O GLU A 94 -0.754 12.235 2.680 1.00 0.00 O ATOM 86 CB GLU A 94 1.468 13.912 4.335 1.00 0.00 C ATOM 87 CG GLU A 94 2.235 13.284 5.488 1.00 0.00 C ATOM 88 CD GLU A 94 3.727 13.537 5.402 1.00 0.00 C ATOM 89 OE1 GLU A 94 4.119 14.664 5.033 1.00 0.00 O ATOM 90 OE2 GLU A 94 4.505 12.607 5.703 1.00 0.00 O ATOM 0 H GLU A 94 2.452 14.533 1.943 1.00 0.00 H new ATOM 0 HA GLU A 94 1.702 12.027 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.901 14.887 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.438 14.085 4.646 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.857 13.681 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.052 12.209 5.498 1.00 0.00 H new ATOM 97 N GLU A 95 -0.134 14.084 1.558 1.00 0.00 N ATOM 98 CA GLU A 95 -1.412 14.226 0.869 1.00 0.00 C ATOM 99 C GLU A 95 -1.716 12.992 0.025 1.00 0.00 C ATOM 100 O GLU A 95 -2.844 12.499 0.013 1.00 0.00 O ATOM 101 CB GLU A 95 -1.403 15.473 -0.016 1.00 0.00 C ATOM 102 CG GLU A 95 -1.697 16.758 0.741 1.00 0.00 C ATOM 103 CD GLU A 95 -3.019 16.710 1.481 1.00 0.00 C ATOM 104 OE1 GLU A 95 -3.922 15.970 1.036 1.00 0.00 O ATOM 105 OE2 GLU A 95 -3.153 17.413 2.505 1.00 0.00 O ATOM 0 H GLU A 95 0.553 14.802 1.326 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.192 14.330 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.429 15.560 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.141 15.351 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.893 16.948 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.707 17.593 0.041 1.00 0.00 H new ATOM 112 N GLU A 96 -0.703 12.499 -0.679 1.00 0.00 N ATOM 113 CA GLU A 96 -0.862 11.322 -1.526 1.00 0.00 C ATOM 114 C GLU A 96 -1.320 10.120 -0.707 1.00 0.00 C ATOM 115 O GLU A 96 -2.344 9.506 -1.005 1.00 0.00 O ATOM 116 CB GLU A 96 0.453 10.998 -2.238 1.00 0.00 C ATOM 117 CG GLU A 96 1.114 12.210 -2.875 1.00 0.00 C ATOM 118 CD GLU A 96 1.728 11.895 -4.225 1.00 0.00 C ATOM 119 OE1 GLU A 96 2.302 10.796 -4.374 1.00 0.00 O ATOM 120 OE2 GLU A 96 1.635 12.748 -5.133 1.00 0.00 O ATOM 0 H GLU A 96 0.237 12.896 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.626 11.543 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.144 10.552 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.265 10.250 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.375 13.003 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.887 12.590 -2.208 1.00 0.00 H new ATOM 127 N LEU A 97 -0.554 9.789 0.327 1.00 0.00 N ATOM 128 CA LEU A 97 -0.881 8.660 1.189 1.00 0.00 C ATOM 129 C LEU A 97 -2.171 8.919 1.960 1.00 0.00 C ATOM 130 O LEU A 97 -2.994 8.020 2.131 1.00 0.00 O ATOM 131 CB LEU A 97 0.265 8.391 2.165 1.00 0.00 C ATOM 132 CG LEU A 97 1.562 7.898 1.518 1.00 0.00 C ATOM 133 CD1 LEU A 97 2.766 8.621 2.107 1.00 0.00 C ATOM 134 CD2 LEU A 97 1.702 6.392 1.688 1.00 0.00 C ATOM 0 H LEU A 97 0.297 10.287 0.588 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.027 7.783 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.477 9.308 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.064 7.650 2.894 1.00 0.00 H new ATOM 0 HG LEU A 97 1.521 8.121 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.677 8.256 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.669 9.692 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.814 8.433 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.629 6.058 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.720 6.146 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.857 5.892 1.214 1.00 0.00 H new ATOM 146 N SER A 98 -2.342 10.153 2.425 1.00 0.00 N ATOM 147 CA SER A 98 -3.534 10.531 3.180 1.00 0.00 C ATOM 148 C SER A 98 -4.803 10.057 2.476 1.00 0.00 C ATOM 149 O SER A 98 -5.756 9.620 3.121 1.00 0.00 O ATOM 150 CB SER A 98 -3.581 12.047 3.374 1.00 0.00 C ATOM 151 OG SER A 98 -4.844 12.459 3.869 1.00 0.00 O ATOM 0 H SER A 98 -1.670 10.909 2.293 1.00 0.00 H new ATOM 0 HA SER A 98 -3.481 10.047 4.155 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.798 12.352 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.379 12.545 2.426 1.00 0.00 H new ATOM 0 HG SER A 98 -4.950 12.150 4.793 1.00 0.00 H new ATOM 157 N ASP A 99 -4.804 10.145 1.151 1.00 0.00 N ATOM 158 CA ASP A 99 -5.952 9.723 0.358 1.00 0.00 C ATOM 159 C ASP A 99 -5.908 8.221 0.086 1.00 0.00 C ATOM 160 O ASP A 99 -6.939 7.594 -0.153 1.00 0.00 O ATOM 161 CB ASP A 99 -5.995 10.493 -0.964 1.00 0.00 C ATOM 162 CG ASP A 99 -7.393 10.965 -1.314 1.00 0.00 C ATOM 163 OD1 ASP A 99 -8.278 10.105 -1.510 1.00 0.00 O ATOM 164 OD2 ASP A 99 -7.603 12.193 -1.391 1.00 0.00 O ATOM 0 H ASP A 99 -4.022 10.505 0.603 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.855 9.942 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.329 11.354 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.619 9.856 -1.765 1.00 0.00 H new ATOM 169 N LEU A 100 -4.706 7.650 0.119 1.00 0.00 N ATOM 170 CA LEU A 100 -4.532 6.223 -0.128 1.00 0.00 C ATOM 171 C LEU A 100 -4.963 5.397 1.082 1.00 0.00 C ATOM 172 O LEU A 100 -5.601 4.355 0.935 1.00 0.00 O ATOM 173 CB LEU A 100 -3.073 5.916 -0.474 1.00 0.00 C ATOM 174 CG LEU A 100 -2.656 6.261 -1.906 1.00 0.00 C ATOM 175 CD1 LEU A 100 -1.148 6.133 -2.070 1.00 0.00 C ATOM 176 CD2 LEU A 100 -3.379 5.365 -2.901 1.00 0.00 C ATOM 0 H LEU A 100 -3.841 8.153 0.314 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.165 5.951 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.430 6.462 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.892 4.854 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.936 7.295 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.871 6.382 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.648 6.815 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.844 5.110 -1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.071 5.624 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.129 4.323 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.455 5.506 -2.802 1.00 0.00 H new ATOM 188 N PHE A 101 -4.607 5.862 2.277 1.00 0.00 N ATOM 189 CA PHE A 101 -4.955 5.157 3.508 1.00 0.00 C ATOM 190 C PHE A 101 -6.444 4.822 3.559 1.00 0.00 C ATOM 191 O PHE A 101 -6.825 3.653 3.620 1.00 0.00 O ATOM 192 CB PHE A 101 -4.573 5.994 4.731 1.00 0.00 C ATOM 193 CG PHE A 101 -4.523 5.200 6.005 1.00 0.00 C ATOM 194 CD1 PHE A 101 -3.726 4.070 6.101 1.00 0.00 C ATOM 195 CD2 PHE A 101 -5.274 5.582 7.105 1.00 0.00 C ATOM 196 CE1 PHE A 101 -3.679 3.336 7.271 1.00 0.00 C ATOM 197 CE2 PHE A 101 -5.231 4.852 8.277 1.00 0.00 C ATOM 198 CZ PHE A 101 -4.432 3.728 8.360 1.00 0.00 C ATOM 0 H PHE A 101 -4.078 6.723 2.419 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.393 4.223 3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.599 6.452 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.291 6.806 4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.135 3.760 5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.900 6.460 7.045 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.054 2.457 7.333 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.821 5.160 9.127 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.396 3.157 9.276 1.00 0.00 H new ATOM 208 N ARG A 102 -7.280 5.856 3.542 1.00 0.00 N ATOM 209 CA ARG A 102 -8.728 5.674 3.594 1.00 0.00 C ATOM 210 C ARG A 102 -9.206 4.696 2.523 1.00 0.00 C ATOM 211 O ARG A 102 -9.952 3.760 2.813 1.00 0.00 O ATOM 212 CB ARG A 102 -9.437 7.020 3.425 1.00 0.00 C ATOM 213 CG ARG A 102 -9.753 7.709 4.743 1.00 0.00 C ATOM 214 CD ARG A 102 -10.407 9.063 4.522 1.00 0.00 C ATOM 215 NE ARG A 102 -9.892 10.077 5.438 1.00 0.00 N ATOM 216 CZ ARG A 102 -8.730 10.705 5.272 1.00 0.00 C ATOM 217 NH1 ARG A 102 -7.961 10.426 4.226 1.00 0.00 N ATOM 218 NH2 ARG A 102 -8.335 11.614 6.153 1.00 0.00 N ATOM 0 H ARG A 102 -6.980 6.830 3.493 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.976 5.255 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.812 7.678 2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.364 6.866 2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.414 7.077 5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.835 7.837 5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.237 9.384 3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.485 8.970 4.653 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.456 10.318 6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.260 9.728 3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.072 10.910 4.103 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.922 11.832 6.958 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.445 12.095 6.025 1.00 0.00 H new ATOM 232 N MET A 103 -8.777 4.920 1.287 1.00 0.00 N ATOM 233 CA MET A 103 -9.167 4.060 0.175 1.00 0.00 C ATOM 234 C MET A 103 -8.668 2.632 0.383 1.00 0.00 C ATOM 235 O MET A 103 -9.452 1.684 0.380 1.00 0.00 O ATOM 236 CB MET A 103 -8.623 4.617 -1.143 1.00 0.00 C ATOM 237 CG MET A 103 -9.663 5.369 -1.959 1.00 0.00 C ATOM 238 SD MET A 103 -9.541 5.027 -3.725 1.00 0.00 S ATOM 239 CE MET A 103 -7.994 5.836 -4.122 1.00 0.00 C ATOM 0 H MET A 103 -8.159 5.689 1.029 1.00 0.00 H new ATOM 0 HA MET A 103 -10.256 4.039 0.132 1.00 0.00 H new ATOM 0 HB2 MET A 103 -7.788 5.285 -0.929 1.00 0.00 H new ATOM 0 HB3 MET A 103 -8.229 3.795 -1.740 1.00 0.00 H new ATOM 0 HG2 MET A 103 -10.659 5.099 -1.609 1.00 0.00 H new ATOM 0 HG3 MET A 103 -9.546 6.440 -1.791 1.00 0.00 H new ATOM 0 HE1 MET A 103 -7.781 5.712 -5.184 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.068 6.898 -3.888 1.00 0.00 H new ATOM 0 HE3 MET A 103 -7.190 5.391 -3.536 1.00 0.00 H new ATOM 249 N PHE A 104 -7.359 2.487 0.559 1.00 0.00 N ATOM 250 CA PHE A 104 -6.753 1.175 0.763 1.00 0.00 C ATOM 251 C PHE A 104 -7.358 0.471 1.974 1.00 0.00 C ATOM 252 O PHE A 104 -7.431 -0.758 2.015 1.00 0.00 O ATOM 253 CB PHE A 104 -5.240 1.312 0.941 1.00 0.00 C ATOM 254 CG PHE A 104 -4.453 0.253 0.222 1.00 0.00 C ATOM 255 CD1 PHE A 104 -4.484 -1.063 0.652 1.00 0.00 C ATOM 256 CD2 PHE A 104 -3.682 0.576 -0.883 1.00 0.00 C ATOM 257 CE1 PHE A 104 -3.761 -2.039 -0.006 1.00 0.00 C ATOM 258 CE2 PHE A 104 -2.956 -0.396 -1.546 1.00 0.00 C ATOM 259 CZ PHE A 104 -2.996 -1.705 -1.107 1.00 0.00 C ATOM 0 H PHE A 104 -6.696 3.262 0.565 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.957 0.570 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.927 2.292 0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.002 1.271 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.081 -1.329 1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.648 1.598 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.794 -3.062 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.358 -0.132 -2.406 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.430 -2.466 -1.624 1.00 0.00 H new ATOM 269 N ASP A 105 -7.789 1.253 2.959 1.00 0.00 N ATOM 270 CA ASP A 105 -8.384 0.695 4.169 1.00 0.00 C ATOM 271 C ASP A 105 -9.620 -0.137 3.835 1.00 0.00 C ATOM 272 O ASP A 105 -9.584 -1.366 3.894 1.00 0.00 O ATOM 273 CB ASP A 105 -8.749 1.814 5.148 1.00 0.00 C ATOM 274 CG ASP A 105 -9.192 1.281 6.498 1.00 0.00 C ATOM 275 OD1 ASP A 105 -9.695 0.139 6.550 1.00 0.00 O ATOM 276 OD2 ASP A 105 -9.036 2.006 7.503 1.00 0.00 O ATOM 0 H ASP A 105 -7.738 2.272 2.944 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.648 0.042 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.888 2.469 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.547 2.421 4.720 1.00 0.00 H new ATOM 281 N LYS A 106 -10.713 0.540 3.487 1.00 0.00 N ATOM 282 CA LYS A 106 -11.961 -0.139 3.143 1.00 0.00 C ATOM 283 C LYS A 106 -12.528 -0.910 4.335 1.00 0.00 C ATOM 284 O LYS A 106 -13.464 -1.695 4.186 1.00 0.00 O ATOM 285 CB LYS A 106 -11.735 -1.096 1.976 1.00 0.00 C ATOM 286 CG LYS A 106 -11.920 -0.452 0.612 1.00 0.00 C ATOM 287 CD LYS A 106 -10.917 -0.986 -0.398 1.00 0.00 C ATOM 288 CE LYS A 106 -11.556 -1.199 -1.761 1.00 0.00 C ATOM 289 NZ LYS A 106 -12.802 -2.009 -1.670 1.00 0.00 N ATOM 0 H LYS A 106 -10.760 1.558 3.436 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.684 0.625 2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.726 -1.503 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.424 -1.936 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.933 -0.639 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.808 0.629 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.085 -0.287 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.503 -1.928 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.784 -0.232 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.846 -1.698 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.903 -2.589 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.753 -2.629 -0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.622 -1.376 -1.582 1.00 0.00 H new ATOM 303 N ASN A 107 -11.956 -0.686 5.512 1.00 0.00 N ATOM 304 CA ASN A 107 -12.403 -1.364 6.723 1.00 0.00 C ATOM 305 C ASN A 107 -13.077 -0.388 7.685 1.00 0.00 C ATOM 306 O ASN A 107 -13.859 -0.793 8.545 1.00 0.00 O ATOM 307 CB ASN A 107 -11.219 -2.043 7.412 1.00 0.00 C ATOM 308 CG ASN A 107 -11.554 -3.441 7.894 1.00 0.00 C ATOM 309 OD1 ASN A 107 -12.437 -4.103 7.349 1.00 0.00 O ATOM 310 ND2 ASN A 107 -10.848 -3.897 8.922 1.00 0.00 N ATOM 0 H ASN A 107 -11.180 -0.039 5.654 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.135 -2.119 6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.379 -2.092 6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.899 -1.437 8.259 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.029 -4.831 9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.125 -3.313 9.343 1.00 0.00 H new ATOM 317 N ALA A 108 -12.766 0.898 7.539 1.00 0.00 N ATOM 318 CA ALA A 108 -13.341 1.925 8.399 1.00 0.00 C ATOM 319 C ALA A 108 -12.905 1.732 9.847 1.00 0.00 C ATOM 320 O ALA A 108 -13.684 1.949 10.776 1.00 0.00 O ATOM 321 CB ALA A 108 -14.860 1.916 8.295 1.00 0.00 C ATOM 0 H ALA A 108 -12.120 1.252 6.834 1.00 0.00 H new ATOM 0 HA ALA A 108 -12.974 2.894 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -15.274 2.689 8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -15.155 2.111 7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -15.240 0.942 8.603 1.00 0.00 H new ATOM 327 N ASP A 109 -11.654 1.324 10.031 1.00 0.00 N ATOM 328 CA ASP A 109 -11.110 1.102 11.366 1.00 0.00 C ATOM 329 C ASP A 109 -9.961 2.064 11.651 1.00 0.00 C ATOM 330 O ASP A 109 -9.846 2.600 12.753 1.00 0.00 O ATOM 331 CB ASP A 109 -10.627 -0.343 11.509 1.00 0.00 C ATOM 332 CG ASP A 109 -9.582 -0.709 10.474 1.00 0.00 C ATOM 333 OD1 ASP A 109 -9.521 -0.032 9.427 1.00 0.00 O ATOM 334 OD2 ASP A 109 -8.823 -1.672 10.712 1.00 0.00 O ATOM 0 H ASP A 109 -10.997 1.140 9.272 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.904 1.286 12.090 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.212 -0.487 12.507 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.478 -1.018 11.417 1.00 0.00 H new ATOM 339 N GLY A 110 -9.115 2.280 10.649 1.00 0.00 N ATOM 340 CA GLY A 110 -7.988 3.180 10.811 1.00 0.00 C ATOM 341 C GLY A 110 -6.651 2.463 10.773 1.00 0.00 C ATOM 342 O GLY A 110 -5.626 3.037 11.138 1.00 0.00 O ATOM 0 H GLY A 110 -9.190 1.848 9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.014 3.932 10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.085 3.708 11.759 1.00 0.00 H new ATOM 346 N TYR A 111 -6.658 1.208 10.331 1.00 0.00 N ATOM 347 CA TYR A 111 -5.432 0.417 10.248 1.00 0.00 C ATOM 348 C TYR A 111 -5.568 -0.670 9.185 1.00 0.00 C ATOM 349 O TYR A 111 -6.673 -0.969 8.733 1.00 0.00 O ATOM 350 CB TYR A 111 -5.099 -0.220 11.605 1.00 0.00 C ATOM 351 CG TYR A 111 -5.848 0.384 12.774 1.00 0.00 C ATOM 352 CD1 TYR A 111 -5.378 1.526 13.409 1.00 0.00 C ATOM 353 CD2 TYR A 111 -7.023 -0.190 13.242 1.00 0.00 C ATOM 354 CE1 TYR A 111 -6.058 2.080 14.477 1.00 0.00 C ATOM 355 CE2 TYR A 111 -7.710 0.358 14.308 1.00 0.00 C ATOM 356 CZ TYR A 111 -7.224 1.493 14.922 1.00 0.00 C ATOM 357 OH TYR A 111 -7.904 2.042 15.985 1.00 0.00 O ATOM 0 H TYR A 111 -7.498 0.717 10.025 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.619 1.087 9.969 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.321 -1.286 11.558 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -4.028 -0.125 11.786 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -4.466 1.989 13.062 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -7.406 -1.080 12.765 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -5.678 2.968 14.961 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -8.623 -0.100 14.659 1.00 0.00 H new ATOM 0 HH TYR A 111 -8.705 1.509 16.172 1.00 0.00 H new ATOM 367 N ILE A 112 -4.443 -1.260 8.788 1.00 0.00 N ATOM 368 CA ILE A 112 -4.458 -2.312 7.777 1.00 0.00 C ATOM 369 C ILE A 112 -3.964 -3.638 8.347 1.00 0.00 C ATOM 370 O ILE A 112 -2.998 -3.678 9.109 1.00 0.00 O ATOM 371 CB ILE A 112 -3.595 -1.936 6.557 1.00 0.00 C ATOM 372 CG1 ILE A 112 -3.952 -0.528 6.069 1.00 0.00 C ATOM 373 CG2 ILE A 112 -3.778 -2.959 5.444 1.00 0.00 C ATOM 374 CD1 ILE A 112 -3.384 -0.189 4.706 1.00 0.00 C ATOM 0 H ILE A 112 -3.517 -1.029 9.148 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.494 -2.423 7.458 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.546 -1.939 6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.037 -0.430 6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.589 0.200 6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.162 -2.680 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.478 -3.944 5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.825 -2.986 5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.680 0.823 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.296 -0.253 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.767 -0.893 3.967 1.00 0.00 H new ATOM 386 N ASP A 113 -4.634 -4.722 7.970 1.00 0.00 N ATOM 387 CA ASP A 113 -4.265 -6.053 8.438 1.00 0.00 C ATOM 388 C ASP A 113 -4.074 -7.005 7.261 1.00 0.00 C ATOM 389 O ASP A 113 -4.038 -6.580 6.106 1.00 0.00 O ATOM 390 CB ASP A 113 -5.336 -6.599 9.384 1.00 0.00 C ATOM 391 CG ASP A 113 -4.740 -7.346 10.561 1.00 0.00 C ATOM 392 OD1 ASP A 113 -3.602 -7.845 10.433 1.00 0.00 O ATOM 393 OD2 ASP A 113 -5.411 -7.431 11.611 1.00 0.00 O ATOM 0 H ASP A 113 -5.437 -4.705 7.341 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.321 -5.975 8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.947 -5.774 9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.999 -7.265 8.832 1.00 0.00 H new ATOM 398 N LEU A 114 -3.951 -8.293 7.561 1.00 0.00 N ATOM 399 CA LEU A 114 -3.763 -9.304 6.527 1.00 0.00 C ATOM 400 C LEU A 114 -4.917 -9.290 5.527 1.00 0.00 C ATOM 401 O LEU A 114 -4.757 -9.693 4.375 1.00 0.00 O ATOM 402 CB LEU A 114 -3.634 -10.693 7.159 1.00 0.00 C ATOM 403 CG LEU A 114 -2.199 -11.208 7.301 1.00 0.00 C ATOM 404 CD1 LEU A 114 -1.800 -11.287 8.767 1.00 0.00 C ATOM 405 CD2 LEU A 114 -2.049 -12.567 6.633 1.00 0.00 C ATOM 0 H LEU A 114 -3.978 -8.662 8.512 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.844 -9.069 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.096 -10.671 8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.201 -11.403 6.558 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.533 -10.504 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.777 -11.655 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.865 -10.296 9.216 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.472 -11.967 9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.022 -12.916 6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.728 -13.280 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.289 -12.480 5.573 1.00 0.00 H new ATOM 417 N GLU A 115 -6.080 -8.827 5.975 1.00 0.00 N ATOM 418 CA GLU A 115 -7.258 -8.765 5.118 1.00 0.00 C ATOM 419 C GLU A 115 -7.077 -7.733 4.009 1.00 0.00 C ATOM 420 O GLU A 115 -7.369 -8.003 2.844 1.00 0.00 O ATOM 421 CB GLU A 115 -8.500 -8.429 5.946 1.00 0.00 C ATOM 422 CG GLU A 115 -8.389 -7.084 6.636 1.00 0.00 C ATOM 423 OE1 GLU A 115 -7.958 -7.051 7.808 1.00 0.00 O ATOM 424 OE2 GLU A 115 -8.732 -6.062 6.004 1.00 0.00 O ATOM 0 H GLU A 115 -6.231 -8.490 6.926 1.00 0.00 H new ATOM 0 HA GLU A 115 -7.390 -9.744 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.376 -8.430 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.656 -9.206 6.694 1.00 0.00 H new ATOM 429 N GLU A 116 -6.596 -6.551 4.378 1.00 0.00 N ATOM 430 CA GLU A 116 -6.380 -5.481 3.410 1.00 0.00 C ATOM 431 C GLU A 116 -5.081 -5.692 2.639 1.00 0.00 C ATOM 432 O GLU A 116 -4.957 -5.279 1.487 1.00 0.00 O ATOM 433 CB GLU A 116 -6.356 -4.124 4.113 1.00 0.00 C ATOM 434 CG GLU A 116 -7.732 -3.503 4.282 1.00 0.00 C ATOM 435 CD GLU A 116 -7.933 -2.894 5.656 1.00 0.00 C ATOM 436 OE1 GLU A 116 -7.407 -1.787 5.897 1.00 0.00 O ATOM 437 OE2 GLU A 116 -8.617 -3.524 6.490 1.00 0.00 O ATOM 0 H GLU A 116 -6.349 -6.309 5.338 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.207 -5.499 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.896 -4.241 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.725 -3.441 3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.875 -2.733 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.493 -4.264 4.111 1.00 0.00 H new ATOM 444 N LEU A 117 -4.114 -6.345 3.276 1.00 0.00 N ATOM 445 CA LEU A 117 -2.830 -6.613 2.638 1.00 0.00 C ATOM 446 C LEU A 117 -3.020 -7.372 1.326 1.00 0.00 C ATOM 447 O LEU A 117 -2.142 -7.371 0.465 1.00 0.00 O ATOM 448 CB LEU A 117 -1.925 -7.411 3.579 1.00 0.00 C ATOM 449 CG LEU A 117 -0.937 -6.572 4.392 1.00 0.00 C ATOM 450 CD1 LEU A 117 0.082 -5.913 3.475 1.00 0.00 C ATOM 451 CD2 LEU A 117 -1.674 -5.525 5.213 1.00 0.00 C ATOM 0 H LEU A 117 -4.195 -6.697 4.230 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.356 -5.657 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.552 -7.976 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.364 -8.137 2.990 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.406 -7.233 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.777 -5.320 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 117 0.633 -6.681 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.433 -5.265 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.955 -4.938 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.232 -4.867 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.364 -6.019 5.897 1.00 0.00 H new ATOM 463 N LYS A 118 -4.174 -8.019 1.180 1.00 0.00 N ATOM 464 CA LYS A 118 -4.483 -8.778 -0.024 1.00 0.00 C ATOM 465 C LYS A 118 -4.776 -7.849 -1.199 1.00 0.00 C ATOM 466 O LYS A 118 -4.561 -8.208 -2.357 1.00 0.00 O ATOM 467 CB LYS A 118 -5.687 -9.684 0.225 1.00 0.00 C ATOM 468 CG LYS A 118 -6.047 -10.559 -0.964 1.00 0.00 C ATOM 469 CD LYS A 118 -7.532 -10.883 -0.988 1.00 0.00 C ATOM 470 CE LYS A 118 -8.373 -9.634 -1.205 1.00 0.00 C ATOM 471 NZ LYS A 118 -8.995 -9.612 -2.558 1.00 0.00 N ATOM 0 H LYS A 118 -4.911 -8.031 1.885 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.613 -9.386 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.480 -10.321 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -6.547 -9.067 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -5.769 -10.052 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -5.472 -11.484 -0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -7.736 -11.602 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -7.817 -11.356 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -9.154 -9.585 -0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -7.749 -8.749 -1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -9.204 -8.630 -2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -8.339 -10.029 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -9.878 -10.162 -2.543 1.00 0.00 H new ATOM 485 N ILE A 119 -5.276 -6.656 -0.891 1.00 0.00 N ATOM 486 CA ILE A 119 -5.613 -5.672 -1.917 1.00 0.00 C ATOM 487 C ILE A 119 -4.466 -5.479 -2.911 1.00 0.00 C ATOM 488 O ILE A 119 -4.663 -5.583 -4.122 1.00 0.00 O ATOM 489 CB ILE A 119 -5.991 -4.315 -1.279 1.00 0.00 C ATOM 490 CG1 ILE A 119 -7.341 -4.431 -0.569 1.00 0.00 C ATOM 491 CG2 ILE A 119 -6.035 -3.209 -2.326 1.00 0.00 C ATOM 492 CD1 ILE A 119 -7.418 -3.649 0.723 1.00 0.00 C ATOM 0 H ILE A 119 -5.458 -6.346 0.064 1.00 0.00 H new ATOM 0 HA ILE A 119 -6.475 -6.058 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.225 -4.054 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -8.126 -4.084 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.542 -5.482 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -6.303 -2.267 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -5.056 -3.112 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -6.778 -3.456 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -8.404 -3.779 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.657 -4.011 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -7.249 -2.592 0.519 1.00 0.00 H new ATOM 504 N MET A 120 -3.271 -5.199 -2.399 1.00 0.00 N ATOM 505 CA MET A 120 -2.106 -4.996 -3.256 1.00 0.00 C ATOM 506 C MET A 120 -1.872 -6.209 -4.151 1.00 0.00 C ATOM 507 O MET A 120 -1.442 -6.074 -5.297 1.00 0.00 O ATOM 508 CB MET A 120 -0.859 -4.720 -2.413 1.00 0.00 C ATOM 509 CG MET A 120 -0.512 -5.845 -1.453 1.00 0.00 C ATOM 510 SD MET A 120 -0.059 -5.248 0.188 1.00 0.00 S ATOM 511 CE MET A 120 -1.478 -4.231 0.588 1.00 0.00 C ATOM 0 H MET A 120 -3.084 -5.108 -1.400 1.00 0.00 H new ATOM 0 HA MET A 120 -2.302 -4.130 -3.889 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.013 -4.547 -3.078 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.011 -3.802 -1.844 1.00 0.00 H new ATOM 0 HG2 MET A 120 -1.364 -6.519 -1.367 1.00 0.00 H new ATOM 0 HG3 MET A 120 0.314 -6.426 -1.864 1.00 0.00 H new ATOM 0 HE1 MET A 120 -1.488 -4.025 1.658 1.00 0.00 H new ATOM 0 HE2 MET A 120 -1.419 -3.292 0.038 1.00 0.00 H new ATOM 0 HE3 MET A 120 -2.392 -4.756 0.311 1.00 0.00 H new ATOM 521 N LEU A 121 -2.163 -7.393 -3.623 1.00 0.00 N ATOM 522 CA LEU A 121 -1.990 -8.629 -4.378 1.00 0.00 C ATOM 523 C LEU A 121 -3.060 -8.756 -5.456 1.00 0.00 C ATOM 524 O LEU A 121 -2.829 -9.360 -6.504 1.00 0.00 O ATOM 525 CB LEU A 121 -2.045 -9.838 -3.442 1.00 0.00 C ATOM 526 CG LEU A 121 -0.689 -10.310 -2.917 1.00 0.00 C ATOM 527 CD1 LEU A 121 -0.340 -9.596 -1.619 1.00 0.00 C ATOM 528 CD2 LEU A 121 -0.692 -11.821 -2.718 1.00 0.00 C ATOM 0 H LEU A 121 -2.519 -7.523 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.013 -8.599 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -2.681 -9.592 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.522 -10.665 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 121 0.073 -10.063 -3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.628 -9.945 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.296 -8.521 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.102 -9.810 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.281 -12.141 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.464 -12.092 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.894 -12.313 -3.669 1.00 0.00 H new ATOM 540 N GLN A 122 -4.230 -8.176 -5.197 1.00 0.00 N ATOM 541 CA GLN A 122 -5.331 -8.218 -6.154 1.00 0.00 C ATOM 542 C GLN A 122 -4.859 -7.759 -7.530 1.00 0.00 C ATOM 543 O GLN A 122 -5.367 -8.208 -8.558 1.00 0.00 O ATOM 544 CB GLN A 122 -6.488 -7.338 -5.673 1.00 0.00 C ATOM 545 CG GLN A 122 -7.841 -8.029 -5.727 1.00 0.00 C ATOM 546 CD GLN A 122 -8.972 -7.071 -6.044 1.00 0.00 C ATOM 547 OE1 GLN A 122 -8.835 -6.189 -6.893 1.00 0.00 O ATOM 548 NE2 GLN A 122 -10.099 -7.239 -5.362 1.00 0.00 N ATOM 0 H GLN A 122 -4.439 -7.673 -4.335 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.682 -9.247 -6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -6.291 -7.022 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.525 -6.436 -6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -7.813 -8.815 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -8.037 -8.512 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -10.169 -7.983 -4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -10.895 -6.624 -5.533 1.00 0.00 H new ATOM 557 N ALA A 123 -3.872 -6.869 -7.535 1.00 0.00 N ATOM 558 CA ALA A 123 -3.311 -6.350 -8.773 1.00 0.00 C ATOM 559 C ALA A 123 -2.484 -7.418 -9.479 1.00 0.00 C ATOM 560 O ALA A 123 -2.354 -7.412 -10.703 1.00 0.00 O ATOM 561 CB ALA A 123 -2.454 -5.126 -8.485 1.00 0.00 C ATOM 0 H ALA A 123 -3.444 -6.492 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.131 -6.062 -9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -2.039 -4.745 -9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.067 -4.354 -8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -1.642 -5.401 -7.812 1.00 0.00 H new ATOM 567 N THR A 124 -1.924 -8.333 -8.694 1.00 0.00 N ATOM 568 CA THR A 124 -1.104 -9.410 -9.231 1.00 0.00 C ATOM 569 C THR A 124 -1.910 -10.698 -9.359 1.00 0.00 C ATOM 570 O THR A 124 -2.168 -11.174 -10.465 1.00 0.00 O ATOM 571 CB THR A 124 0.108 -9.644 -8.329 1.00 0.00 C ATOM 572 OG1 THR A 124 -0.229 -9.426 -6.971 1.00 0.00 O ATOM 573 CG2 THR A 124 1.279 -8.746 -8.659 1.00 0.00 C ATOM 0 H THR A 124 -2.025 -8.349 -7.679 1.00 0.00 H new ATOM 0 HA THR A 124 -0.765 -9.117 -10.224 1.00 0.00 H new ATOM 0 HB THR A 124 0.403 -10.679 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 124 -1.187 -9.586 -6.842 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.106 -8.963 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 124 1.595 -8.923 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 124 0.981 -7.704 -8.546 1.00 0.00 H new ATOM 581 N GLY A 125 -2.303 -11.258 -8.220 1.00 0.00 N ATOM 582 CA GLY A 125 -3.074 -12.487 -8.225 1.00 0.00 C ATOM 583 C GLY A 125 -2.339 -13.630 -8.899 1.00 0.00 C ATOM 584 O GLY A 125 -2.962 -14.534 -9.455 1.00 0.00 O ATOM 0 H GLY A 125 -2.101 -10.883 -7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.312 -12.767 -7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.021 -12.316 -8.737 1.00 0.00 H new ATOM 588 N GLU A 126 -1.011 -13.590 -8.851 1.00 0.00 N ATOM 589 CA GLU A 126 -0.193 -14.631 -9.463 1.00 0.00 C ATOM 590 C GLU A 126 1.221 -14.628 -8.889 1.00 0.00 C ATOM 591 O GLU A 126 1.749 -13.580 -8.519 1.00 0.00 O ATOM 592 CB GLU A 126 -0.141 -14.439 -10.981 1.00 0.00 C ATOM 593 CG GLU A 126 -1.080 -15.359 -11.744 1.00 0.00 C ATOM 594 CD GLU A 126 -1.630 -14.718 -13.003 1.00 0.00 C ATOM 595 OE1 GLU A 126 -2.578 -13.912 -12.893 1.00 0.00 O ATOM 596 OE2 GLU A 126 -1.112 -15.020 -14.098 1.00 0.00 O ATOM 0 H GLU A 126 -0.479 -12.849 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.651 -15.594 -9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.389 -13.404 -11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 126 0.879 -14.608 -11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -0.550 -16.274 -12.008 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -1.908 -15.646 -11.096 1.00 0.00 H new ATOM 603 N THR A 127 1.826 -15.811 -8.823 1.00 0.00 N ATOM 604 CA THR A 127 3.182 -15.962 -8.301 1.00 0.00 C ATOM 605 C THR A 127 3.250 -15.634 -6.806 1.00 0.00 C ATOM 606 O THR A 127 4.335 -15.470 -6.250 1.00 0.00 O ATOM 607 CB THR A 127 4.163 -15.089 -9.104 1.00 0.00 C ATOM 608 OG1 THR A 127 5.339 -15.816 -9.408 1.00 0.00 O ATOM 609 CG2 THR A 127 4.590 -13.811 -8.404 1.00 0.00 C ATOM 0 H THR A 127 1.396 -16.684 -9.127 1.00 0.00 H new ATOM 0 HA THR A 127 3.473 -17.006 -8.415 1.00 0.00 H new ATOM 0 HB THR A 127 3.609 -14.810 -10.000 1.00 0.00 H new ATOM 0 HG1 THR A 127 5.952 -15.248 -9.920 1.00 0.00 H new ATOM 0 HG21 THR A 127 5.280 -13.260 -9.042 1.00 0.00 H new ATOM 0 HG22 THR A 127 3.713 -13.196 -8.202 1.00 0.00 H new ATOM 0 HG23 THR A 127 5.084 -14.058 -7.464 1.00 0.00 H new ATOM 617 N ILE A 128 2.089 -15.547 -6.160 1.00 0.00 N ATOM 618 CA ILE A 128 2.031 -15.246 -4.732 1.00 0.00 C ATOM 619 C ILE A 128 0.682 -15.657 -4.139 1.00 0.00 C ATOM 620 O ILE A 128 0.537 -16.766 -3.625 1.00 0.00 O ATOM 621 CB ILE A 128 2.287 -13.748 -4.446 1.00 0.00 C ATOM 622 CG1 ILE A 128 1.853 -12.882 -5.631 1.00 0.00 C ATOM 623 CG2 ILE A 128 3.756 -13.512 -4.127 1.00 0.00 C ATOM 624 CD1 ILE A 128 1.375 -11.503 -5.230 1.00 0.00 C ATOM 0 H ILE A 128 1.179 -15.680 -6.601 1.00 0.00 H new ATOM 0 HA ILE A 128 2.823 -15.825 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 128 1.690 -13.462 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.690 -12.781 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 128 1.054 -13.392 -6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.920 -12.453 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 128 4.036 -14.094 -3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.367 -13.820 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.084 -10.946 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.518 -11.595 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 128 2.179 -10.974 -4.718 1.00 0.00 H new ATOM 636 N THR A 129 -0.303 -14.763 -4.219 1.00 0.00 N ATOM 637 CA THR A 129 -1.639 -15.040 -3.696 1.00 0.00 C ATOM 638 C THR A 129 -1.588 -15.454 -2.227 1.00 0.00 C ATOM 639 O THR A 129 -1.206 -16.578 -1.900 1.00 0.00 O ATOM 640 CB THR A 129 -2.317 -16.136 -4.521 1.00 0.00 C ATOM 641 OG1 THR A 129 -1.813 -17.413 -4.171 1.00 0.00 O ATOM 642 CG2 THR A 129 -2.136 -15.962 -6.014 1.00 0.00 C ATOM 0 H THR A 129 -0.200 -13.840 -4.641 1.00 0.00 H new ATOM 0 HA THR A 129 -2.220 -14.121 -3.771 1.00 0.00 H new ATOM 0 HB THR A 129 -3.379 -16.055 -4.290 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.059 -17.309 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.641 -16.773 -6.539 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.563 -15.008 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 129 -1.073 -15.980 -6.256 1.00 0.00 H new ATOM 650 N GLU A 130 -1.986 -14.540 -1.344 1.00 0.00 N ATOM 651 CA GLU A 130 -1.997 -14.809 0.094 1.00 0.00 C ATOM 652 C GLU A 130 -0.580 -14.876 0.661 1.00 0.00 C ATOM 653 O GLU A 130 -0.213 -14.086 1.530 1.00 0.00 O ATOM 654 CB GLU A 130 -2.741 -16.116 0.386 1.00 0.00 C ATOM 655 CG GLU A 130 -3.832 -15.974 1.435 1.00 0.00 C ATOM 656 CD GLU A 130 -3.308 -16.147 2.847 1.00 0.00 C ATOM 657 OE1 GLU A 130 -2.567 -15.259 3.319 1.00 0.00 O ATOM 658 OE2 GLU A 130 -3.639 -17.171 3.482 1.00 0.00 O ATOM 0 H GLU A 130 -2.306 -13.605 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 130 -2.517 -13.984 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.184 -16.487 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.024 -16.866 0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.296 -14.992 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -4.610 -16.713 1.247 1.00 0.00 H new ATOM 665 N ASP A 131 0.207 -15.831 0.170 1.00 0.00 N ATOM 666 CA ASP A 131 1.583 -16.016 0.631 1.00 0.00 C ATOM 667 C ASP A 131 2.322 -14.685 0.762 1.00 0.00 C ATOM 668 O ASP A 131 3.158 -14.516 1.649 1.00 0.00 O ATOM 669 CB ASP A 131 2.339 -16.936 -0.328 1.00 0.00 C ATOM 670 CG ASP A 131 2.188 -18.400 0.035 1.00 0.00 C ATOM 671 OD1 ASP A 131 1.114 -18.777 0.549 1.00 0.00 O ATOM 672 OD2 ASP A 131 3.145 -19.171 -0.193 1.00 0.00 O ATOM 0 H ASP A 131 -0.085 -16.492 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 131 1.540 -16.473 1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.974 -16.777 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.396 -16.671 -0.324 1.00 0.00 H new ATOM 677 N ASP A 132 2.014 -13.745 -0.126 1.00 0.00 N ATOM 678 CA ASP A 132 2.658 -12.436 -0.102 1.00 0.00 C ATOM 679 C ASP A 132 2.146 -11.589 1.061 1.00 0.00 C ATOM 680 O ASP A 132 2.916 -10.880 1.709 1.00 0.00 O ATOM 681 CB ASP A 132 2.425 -11.705 -1.424 1.00 0.00 C ATOM 682 CG ASP A 132 3.341 -10.509 -1.595 1.00 0.00 C ATOM 683 OD1 ASP A 132 3.705 -9.889 -0.574 1.00 0.00 O ATOM 684 OD2 ASP A 132 3.695 -10.193 -2.750 1.00 0.00 O ATOM 0 H ASP A 132 1.325 -13.864 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 132 3.728 -12.592 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.579 -12.398 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.388 -11.374 -1.475 1.00 0.00 H new ATOM 689 N ILE A 133 0.845 -11.665 1.320 1.00 0.00 N ATOM 690 CA ILE A 133 0.237 -10.903 2.405 1.00 0.00 C ATOM 691 C ILE A 133 0.820 -11.311 3.756 1.00 0.00 C ATOM 692 O ILE A 133 1.067 -10.468 4.617 1.00 0.00 O ATOM 693 CB ILE A 133 -1.298 -11.091 2.431 1.00 0.00 C ATOM 694 CG1 ILE A 133 -1.928 -10.504 1.166 1.00 0.00 C ATOM 695 CG2 ILE A 133 -1.902 -10.446 3.672 1.00 0.00 C ATOM 696 CD1 ILE A 133 -2.342 -11.549 0.153 1.00 0.00 C ATOM 0 H ILE A 133 0.192 -12.246 0.794 1.00 0.00 H new ATOM 0 HA ILE A 133 0.461 -9.852 2.223 1.00 0.00 H new ATOM 0 HB ILE A 133 -1.510 -12.160 2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -2.802 -9.915 1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -1.218 -9.820 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -2.982 -10.591 3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -1.477 -10.906 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -1.679 -9.379 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.780 -11.059 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -1.468 -12.123 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -3.076 -12.219 0.601 1.00 0.00 H new ATOM 708 N GLU A 134 1.031 -12.610 3.936 1.00 0.00 N ATOM 709 CA GLU A 134 1.578 -13.132 5.184 1.00 0.00 C ATOM 710 C GLU A 134 2.949 -12.531 5.486 1.00 0.00 C ATOM 711 O GLU A 134 3.248 -12.192 6.630 1.00 0.00 O ATOM 712 CB GLU A 134 1.682 -14.656 5.118 1.00 0.00 C ATOM 713 CG GLU A 134 0.336 -15.360 5.180 1.00 0.00 C ATOM 714 CD GLU A 134 0.014 -15.881 6.566 1.00 0.00 C ATOM 715 OE1 GLU A 134 0.870 -16.576 7.153 1.00 0.00 O ATOM 716 OE2 GLU A 134 -1.094 -15.594 7.066 1.00 0.00 O ATOM 0 H GLU A 134 0.832 -13.322 3.233 1.00 0.00 H new ATOM 0 HA GLU A 134 0.899 -12.850 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 134 2.188 -14.938 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 134 2.304 -15.006 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -0.446 -14.669 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.332 -16.190 4.474 1.00 0.00 H new ATOM 723 N GLU A 135 3.781 -12.411 4.457 1.00 0.00 N ATOM 724 CA GLU A 135 5.123 -11.860 4.620 1.00 0.00 C ATOM 725 C GLU A 135 5.117 -10.337 4.524 1.00 0.00 C ATOM 726 O GLU A 135 5.696 -9.650 5.366 1.00 0.00 O ATOM 727 CB GLU A 135 6.066 -12.444 3.567 1.00 0.00 C ATOM 728 CG GLU A 135 7.465 -12.725 4.091 1.00 0.00 C ATOM 729 CD GLU A 135 8.550 -12.228 3.156 1.00 0.00 C ATOM 730 OE1 GLU A 135 8.249 -12.001 1.965 1.00 0.00 O ATOM 731 OE2 GLU A 135 9.701 -12.066 3.614 1.00 0.00 O ATOM 0 H GLU A 135 3.551 -12.687 3.502 1.00 0.00 H new ATOM 0 HA GLU A 135 5.476 -12.135 5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.639 -13.370 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 135 6.134 -11.751 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.586 -12.252 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 135 7.584 -13.798 4.241 1.00 0.00 H new ATOM 738 N LEU A 136 4.467 -9.814 3.489 1.00 0.00 N ATOM 739 CA LEU A 136 4.395 -8.370 3.277 1.00 0.00 C ATOM 740 C LEU A 136 3.871 -7.649 4.517 1.00 0.00 C ATOM 741 O LEU A 136 4.480 -6.690 4.991 1.00 0.00 O ATOM 742 CB LEU A 136 3.502 -8.054 2.074 1.00 0.00 C ATOM 743 CG LEU A 136 3.373 -6.568 1.725 1.00 0.00 C ATOM 744 CD1 LEU A 136 4.699 -5.848 1.927 1.00 0.00 C ATOM 745 CD2 LEU A 136 2.889 -6.401 0.293 1.00 0.00 C ATOM 0 H LEU A 136 3.982 -10.368 2.783 1.00 0.00 H new ATOM 0 HA LEU A 136 5.406 -8.013 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 136 3.893 -8.582 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.506 -8.452 2.267 1.00 0.00 H new ATOM 0 HG LEU A 136 2.638 -6.121 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.583 -4.794 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.007 -5.938 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.457 -6.295 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.802 -5.340 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.602 -6.865 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.915 -6.878 0.180 1.00 0.00 H new ATOM 757 N MET A 137 2.738 -8.115 5.034 1.00 0.00 N ATOM 758 CA MET A 137 2.125 -7.515 6.218 1.00 0.00 C ATOM 759 C MET A 137 3.161 -7.254 7.309 1.00 0.00 C ATOM 760 O MET A 137 3.021 -6.322 8.102 1.00 0.00 O ATOM 761 CB MET A 137 1.019 -8.423 6.761 1.00 0.00 C ATOM 762 CG MET A 137 0.077 -7.724 7.726 1.00 0.00 C ATOM 763 SD MET A 137 0.743 -7.624 9.399 1.00 0.00 S ATOM 764 CE MET A 137 -0.158 -6.214 10.038 1.00 0.00 C ATOM 0 H MET A 137 2.223 -8.908 4.651 1.00 0.00 H new ATOM 0 HA MET A 137 1.694 -6.559 5.920 1.00 0.00 H new ATOM 0 HB2 MET A 137 0.442 -8.818 5.925 1.00 0.00 H new ATOM 0 HB3 MET A 137 1.475 -9.275 7.265 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.130 -6.718 7.361 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.874 -8.256 7.749 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.154 -6.243 11.128 1.00 0.00 H new ATOM 0 HE2 MET A 137 0.317 -5.294 9.698 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.186 -6.246 9.678 1.00 0.00 H new ATOM 774 N LYS A 138 4.202 -8.080 7.342 1.00 0.00 N ATOM 775 CA LYS A 138 5.262 -7.934 8.334 1.00 0.00 C ATOM 776 C LYS A 138 5.916 -6.560 8.233 1.00 0.00 C ATOM 777 O LYS A 138 6.379 -6.007 9.231 1.00 0.00 O ATOM 778 CB LYS A 138 6.315 -9.028 8.151 1.00 0.00 C ATOM 779 CG LYS A 138 7.182 -9.249 9.380 1.00 0.00 C ATOM 780 CD LYS A 138 6.500 -10.164 10.385 1.00 0.00 C ATOM 781 CE LYS A 138 6.686 -11.629 10.023 1.00 0.00 C ATOM 782 NZ LYS A 138 5.449 -12.218 9.438 1.00 0.00 N ATOM 0 H LYS A 138 4.334 -8.857 6.694 1.00 0.00 H new ATOM 0 HA LYS A 138 4.815 -8.032 9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 138 5.815 -9.963 7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 138 6.954 -8.768 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 138 8.136 -9.683 9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 138 7.401 -8.290 9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 138 6.906 -9.980 11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.436 -9.931 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 138 7.506 -11.726 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 138 6.969 -12.190 10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.455 -13.249 9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.615 -11.810 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 5.412 -12.007 8.420 1.00 0.00 H new ATOM 796 N ASP A 139 5.949 -6.013 7.022 1.00 0.00 N ATOM 797 CA ASP A 139 6.545 -4.702 6.791 1.00 0.00 C ATOM 798 C ASP A 139 5.699 -3.602 7.425 1.00 0.00 C ATOM 799 O ASP A 139 6.206 -2.775 8.184 1.00 0.00 O ATOM 800 CB ASP A 139 6.697 -4.444 5.291 1.00 0.00 C ATOM 801 CG ASP A 139 8.053 -4.872 4.765 1.00 0.00 C ATOM 802 OD1 ASP A 139 8.543 -5.940 5.187 1.00 0.00 O ATOM 803 OD2 ASP A 139 8.625 -4.138 3.932 1.00 0.00 O ATOM 0 H ASP A 139 5.570 -6.457 6.186 1.00 0.00 H new ATOM 0 HA ASP A 139 7.531 -4.692 7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 139 5.916 -4.980 4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 139 6.551 -3.382 5.091 1.00 0.00 H new ATOM 808 N GLY A 140 4.407 -3.600 7.111 1.00 0.00 N ATOM 809 CA GLY A 140 3.512 -2.599 7.659 1.00 0.00 C ATOM 810 C GLY A 140 3.491 -2.607 9.175 1.00 0.00 C ATOM 811 O GLY A 140 3.691 -1.572 9.811 1.00 0.00 O ATOM 0 H GLY A 140 3.965 -4.274 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.816 -1.613 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.504 -2.773 7.284 1.00 0.00 H new ATOM 815 N ASP A 141 3.249 -3.778 9.755 1.00 0.00 N ATOM 816 CA ASP A 141 3.203 -3.918 11.205 1.00 0.00 C ATOM 817 C ASP A 141 4.427 -4.671 11.717 1.00 0.00 C ATOM 818 O ASP A 141 4.518 -5.891 11.585 1.00 0.00 O ATOM 819 CB ASP A 141 1.927 -4.649 11.628 1.00 0.00 C ATOM 820 CG ASP A 141 1.768 -4.710 13.134 1.00 0.00 C ATOM 821 OD1 ASP A 141 1.308 -3.710 13.724 1.00 0.00 O ATOM 822 OD2 ASP A 141 2.104 -5.759 13.724 1.00 0.00 O ATOM 0 H ASP A 141 3.082 -4.644 9.242 1.00 0.00 H new ATOM 0 HA ASP A 141 3.203 -2.919 11.642 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.063 -4.146 11.194 1.00 0.00 H new ATOM 0 HB3 ASP A 141 1.941 -5.662 11.226 1.00 0.00 H new ATOM 827 N LYS A 142 5.368 -3.934 12.299 1.00 0.00 N ATOM 828 CA LYS A 142 6.588 -4.531 12.829 1.00 0.00 C ATOM 829 C LYS A 142 6.865 -4.037 14.246 1.00 0.00 C ATOM 830 O LYS A 142 8.018 -3.869 14.642 1.00 0.00 O ATOM 831 CB LYS A 142 7.774 -4.205 11.920 1.00 0.00 C ATOM 832 CG LYS A 142 8.496 -5.437 11.397 1.00 0.00 C ATOM 833 CD LYS A 142 10.001 -5.325 11.580 1.00 0.00 C ATOM 834 CE LYS A 142 10.688 -4.899 10.293 1.00 0.00 C ATOM 835 NZ LYS A 142 11.921 -4.105 10.557 1.00 0.00 N ATOM 0 H LYS A 142 5.309 -2.922 12.415 1.00 0.00 H new ATOM 0 HA LYS A 142 6.451 -5.612 12.862 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.422 -3.614 11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.482 -3.585 12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 142 8.131 -6.322 11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.267 -5.572 10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.220 -4.603 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.401 -6.285 11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.944 -5.783 9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.997 -4.308 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.359 -3.834 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.674 -3.248 11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 12.591 -4.678 11.109 1.00 0.00 H new ATOM 849 N ASN A 143 5.799 -3.809 15.004 1.00 0.00 N ATOM 850 CA ASN A 143 5.924 -3.336 16.378 1.00 0.00 C ATOM 851 C ASN A 143 5.266 -4.305 17.358 1.00 0.00 C ATOM 852 O ASN A 143 5.056 -3.973 18.524 1.00 0.00 O ATOM 853 CB ASN A 143 5.297 -1.948 16.519 1.00 0.00 C ATOM 854 CG ASN A 143 6.191 -0.852 15.972 1.00 0.00 C ATOM 855 OD1 ASN A 143 7.324 -0.678 16.419 1.00 0.00 O ATOM 856 ND2 ASN A 143 5.683 -0.106 14.998 1.00 0.00 N ATOM 0 H ASN A 143 4.838 -3.944 14.691 1.00 0.00 H new ATOM 0 HA ASN A 143 6.986 -3.277 16.617 1.00 0.00 H new ATOM 0 HB2 ASN A 143 4.341 -1.929 15.995 1.00 0.00 H new ATOM 0 HB3 ASN A 143 5.088 -1.752 17.571 1.00 0.00 H new ATOM 0 HD21 ASN A 143 6.237 0.647 14.590 1.00 0.00 H new ATOM 0 HD22 ASN A 143 4.738 -0.286 14.658 1.00 0.00 H new ATOM 863 N ASN A 144 4.944 -5.505 16.881 1.00 0.00 N ATOM 864 CA ASN A 144 4.314 -6.516 17.721 1.00 0.00 C ATOM 865 C ASN A 144 2.991 -6.010 18.288 1.00 0.00 C ATOM 866 O ASN A 144 2.647 -6.291 19.436 1.00 0.00 O ATOM 867 CB ASN A 144 5.253 -6.911 18.860 1.00 0.00 C ATOM 868 CG ASN A 144 5.098 -8.365 19.261 1.00 0.00 C ATOM 869 OD1 ASN A 144 6.166 -9.139 19.104 1.00 0.00 O flip ATOM 870 ND2 ASN A 144 4.032 -8.787 19.707 1.00 0.00 N flip ATOM 0 H ASN A 144 5.109 -5.799 15.918 1.00 0.00 H new ATOM 0 HA ASN A 144 4.109 -7.391 17.104 1.00 0.00 H new ATOM 0 HB2 ASN A 144 6.284 -6.729 18.557 1.00 0.00 H new ATOM 0 HB3 ASN A 144 5.058 -6.276 19.724 1.00 0.00 H new ATOM 0 HD21 ASN A 144 3.237 -8.156 19.811 1.00 0.00 H new ATOM 0 HD22 ASN A 144 3.943 -9.768 19.973 1.00 0.00 H new ATOM 877 N ASP A 145 2.252 -5.262 17.475 1.00 0.00 N ATOM 878 CA ASP A 145 0.966 -4.717 17.895 1.00 0.00 C ATOM 879 C ASP A 145 -0.171 -5.307 17.066 1.00 0.00 C ATOM 880 O ASP A 145 -1.258 -5.569 17.582 1.00 0.00 O ATOM 881 CB ASP A 145 0.967 -3.193 17.767 1.00 0.00 C ATOM 882 CG ASP A 145 1.304 -2.732 16.362 1.00 0.00 C ATOM 883 OD1 ASP A 145 2.404 -3.066 15.876 1.00 0.00 O ATOM 884 OD2 ASP A 145 0.467 -2.036 15.750 1.00 0.00 O ATOM 0 H ASP A 145 2.522 -5.019 16.522 1.00 0.00 H new ATOM 0 HA ASP A 145 0.809 -4.987 18.939 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.013 -2.807 18.048 1.00 0.00 H new ATOM 0 HB3 ASP A 145 1.689 -2.773 18.468 1.00 0.00 H new ATOM 889 N GLY A 146 0.087 -5.513 15.779 1.00 0.00 N ATOM 890 CA GLY A 146 -0.924 -6.070 14.900 1.00 0.00 C ATOM 891 C GLY A 146 -1.853 -5.011 14.340 1.00 0.00 C ATOM 892 O GLY A 146 -3.053 -5.243 14.194 1.00 0.00 O ATOM 0 H GLY A 146 0.978 -5.304 15.329 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -0.437 -6.594 14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -1.509 -6.810 15.447 1.00 0.00 H new ATOM 896 N ARG A 147 -1.297 -3.846 14.026 1.00 0.00 N ATOM 897 CA ARG A 147 -2.083 -2.746 13.478 1.00 0.00 C ATOM 898 C ARG A 147 -1.181 -1.707 12.820 1.00 0.00 C ATOM 899 O ARG A 147 -0.299 -1.138 13.464 1.00 0.00 O ATOM 900 CB ARG A 147 -2.919 -2.091 14.582 1.00 0.00 C ATOM 901 CG ARG A 147 -4.374 -2.532 14.585 1.00 0.00 C ATOM 902 CD ARG A 147 -4.919 -2.645 16.000 1.00 0.00 C ATOM 903 NE ARG A 147 -5.810 -3.793 16.154 1.00 0.00 N ATOM 904 CZ ARG A 147 -6.677 -3.930 17.155 1.00 0.00 C ATOM 905 NH1 ARG A 147 -6.773 -2.994 18.092 1.00 0.00 N ATOM 906 NH2 ARG A 147 -7.450 -5.005 17.220 1.00 0.00 N ATOM 0 H ARG A 147 -0.305 -3.639 14.141 1.00 0.00 H new ATOM 0 HA ARG A 147 -2.751 -3.151 12.718 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -2.475 -2.325 15.550 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -2.876 -1.008 14.465 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -4.973 -1.818 14.019 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -4.465 -3.494 14.081 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -4.090 -2.733 16.702 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -5.457 -1.732 16.255 1.00 0.00 H new ATOM 0 HE ARG A 147 -5.765 -4.533 15.453 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -6.181 -2.165 18.047 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -7.439 -3.104 18.857 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -7.381 -5.727 16.503 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -8.114 -5.110 17.987 1.00 0.00 H new ATOM 920 N ILE A 148 -1.407 -1.464 11.533 1.00 0.00 N ATOM 921 CA ILE A 148 -0.615 -0.494 10.787 1.00 0.00 C ATOM 922 C ILE A 148 -1.486 0.668 10.318 1.00 0.00 C ATOM 923 O ILE A 148 -2.529 0.456 9.701 1.00 0.00 O ATOM 924 CB ILE A 148 0.073 -1.158 9.574 1.00 0.00 C ATOM 925 CG1 ILE A 148 1.265 -0.322 9.111 1.00 0.00 C ATOM 926 CG2 ILE A 148 -0.910 -1.374 8.433 1.00 0.00 C ATOM 927 CD1 ILE A 148 0.877 0.976 8.437 1.00 0.00 C ATOM 0 H ILE A 148 -2.133 -1.926 10.985 1.00 0.00 H new ATOM 0 HA ILE A 148 0.155 -0.109 11.456 1.00 0.00 H new ATOM 0 HB ILE A 148 0.438 -2.136 9.887 1.00 0.00 H new ATOM 0 HG12 ILE A 148 1.896 -0.099 9.971 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.865 -0.914 8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -0.396 -1.843 7.594 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -1.721 -2.020 8.769 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -1.318 -0.414 8.118 1.00 0.00 H new ATOM 0 HD11 ILE A 148 1.777 1.513 8.137 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.271 0.762 7.556 1.00 0.00 H new ATOM 0 HD13 ILE A 148 0.303 1.589 9.132 1.00 0.00 H new ATOM 939 N ASP A 149 -1.064 1.894 10.618 1.00 0.00 N ATOM 940 CA ASP A 149 -1.834 3.067 10.223 1.00 0.00 C ATOM 941 C ASP A 149 -0.952 4.299 10.029 1.00 0.00 C ATOM 942 O ASP A 149 -0.146 4.644 10.892 1.00 0.00 O ATOM 943 CB ASP A 149 -2.910 3.360 11.270 1.00 0.00 C ATOM 944 CG ASP A 149 -2.323 3.750 12.612 1.00 0.00 C ATOM 945 OD1 ASP A 149 -1.844 2.851 13.335 1.00 0.00 O ATOM 946 OD2 ASP A 149 -2.343 4.955 12.941 1.00 0.00 O ATOM 0 H ASP A 149 -0.204 2.098 11.127 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.300 2.843 9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -3.553 4.164 10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -3.540 2.480 11.395 1.00 0.00 H new ATOM 951 N TYR A 150 -1.138 4.963 8.890 1.00 0.00 N ATOM 952 CA TYR A 150 -0.397 6.178 8.548 1.00 0.00 C ATOM 953 C TYR A 150 1.107 6.040 8.801 1.00 0.00 C ATOM 954 O TYR A 150 1.865 5.728 7.883 1.00 0.00 O ATOM 955 CB TYR A 150 -0.958 7.375 9.326 1.00 0.00 C ATOM 956 CG TYR A 150 -1.714 8.364 8.463 1.00 0.00 C ATOM 957 CD1 TYR A 150 -1.270 8.684 7.186 1.00 0.00 C ATOM 958 CD2 TYR A 150 -2.868 8.980 8.930 1.00 0.00 C ATOM 959 CE1 TYR A 150 -1.954 9.588 6.398 1.00 0.00 C ATOM 960 CE2 TYR A 150 -3.559 9.886 8.147 1.00 0.00 C ATOM 961 CZ TYR A 150 -3.098 10.186 6.883 1.00 0.00 C ATOM 962 OH TYR A 150 -3.783 11.088 6.101 1.00 0.00 O ATOM 0 H TYR A 150 -1.807 4.674 8.176 1.00 0.00 H new ATOM 0 HA TYR A 150 -0.527 6.343 7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.622 7.009 10.109 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.136 7.893 9.821 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -0.374 8.218 6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -3.231 8.748 9.920 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -1.595 9.825 5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -4.455 10.356 8.524 1.00 0.00 H new ATOM 0 HH TYR A 150 -4.566 11.416 6.590 1.00 0.00 H new ATOM 972 N ASP A 151 1.531 6.295 10.042 1.00 0.00 N ATOM 973 CA ASP A 151 2.945 6.223 10.424 1.00 0.00 C ATOM 974 C ASP A 151 3.703 5.158 9.634 1.00 0.00 C ATOM 975 O ASP A 151 4.608 5.472 8.862 1.00 0.00 O ATOM 976 CB ASP A 151 3.071 5.943 11.922 1.00 0.00 C ATOM 977 CG ASP A 151 3.136 7.216 12.744 1.00 0.00 C ATOM 978 OD1 ASP A 151 2.208 8.044 12.629 1.00 0.00 O ATOM 979 OD2 ASP A 151 4.114 7.384 13.502 1.00 0.00 O ATOM 0 H ASP A 151 0.908 6.556 10.807 1.00 0.00 H new ATOM 0 HA ASP A 151 3.393 7.189 10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 151 2.221 5.345 12.250 1.00 0.00 H new ATOM 0 HB3 ASP A 151 3.967 5.350 12.104 1.00 0.00 H new ATOM 984 N GLU A 152 3.330 3.901 9.833 1.00 0.00 N ATOM 985 CA GLU A 152 3.979 2.797 9.137 1.00 0.00 C ATOM 986 C GLU A 152 3.477 2.685 7.700 1.00 0.00 C ATOM 987 O GLU A 152 4.160 2.133 6.837 1.00 0.00 O ATOM 988 CB GLU A 152 3.738 1.485 9.884 1.00 0.00 C ATOM 989 CG GLU A 152 4.868 1.104 10.827 1.00 0.00 C ATOM 990 CD GLU A 152 4.366 0.499 12.123 1.00 0.00 C ATOM 991 OE1 GLU A 152 3.494 1.118 12.768 1.00 0.00 O ATOM 992 OE2 GLU A 152 4.846 -0.593 12.493 1.00 0.00 O ATOM 0 H GLU A 152 2.583 3.620 10.469 1.00 0.00 H new ATOM 0 HA GLU A 152 5.050 2.997 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 152 2.812 1.566 10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 152 3.596 0.684 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 152 5.527 0.393 10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 152 5.464 1.989 11.050 1.00 0.00 H new ATOM 999 N PHE A 153 2.281 3.210 7.447 1.00 0.00 N ATOM 1000 CA PHE A 153 1.696 3.163 6.112 1.00 0.00 C ATOM 1001 C PHE A 153 2.523 3.987 5.129 1.00 0.00 C ATOM 1002 O PHE A 153 2.858 3.521 4.041 1.00 0.00 O ATOM 1003 CB PHE A 153 0.251 3.675 6.143 1.00 0.00 C ATOM 1004 CG PHE A 153 -0.318 3.970 4.781 1.00 0.00 C ATOM 1005 CD1 PHE A 153 -0.041 3.141 3.706 1.00 0.00 C ATOM 1006 CD2 PHE A 153 -1.125 5.078 4.577 1.00 0.00 C ATOM 1007 CE1 PHE A 153 -0.557 3.411 2.454 1.00 0.00 C ATOM 1008 CE2 PHE A 153 -1.645 5.352 3.327 1.00 0.00 C ATOM 1009 CZ PHE A 153 -1.360 4.517 2.264 1.00 0.00 C ATOM 0 H PHE A 153 1.700 3.671 8.147 1.00 0.00 H new ATOM 0 HA PHE A 153 1.695 2.125 5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.377 2.933 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.209 4.581 6.748 1.00 0.00 H new ATOM 0 HD1 PHE A 153 0.586 2.273 3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -1.350 5.735 5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -0.332 2.757 1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.274 6.218 3.181 1.00 0.00 H new ATOM 0 HZ PHE A 153 -1.765 4.730 1.286 1.00 0.00 H new ATOM 1019 N LEU A 154 2.845 5.215 5.518 1.00 0.00 N ATOM 1020 CA LEU A 154 3.629 6.102 4.668 1.00 0.00 C ATOM 1021 C LEU A 154 4.979 5.479 4.317 1.00 0.00 C ATOM 1022 O LEU A 154 5.618 5.875 3.342 1.00 0.00 O ATOM 1023 CB LEU A 154 3.824 7.456 5.357 1.00 0.00 C ATOM 1024 CG LEU A 154 2.553 8.074 5.955 1.00 0.00 C ATOM 1025 CD1 LEU A 154 2.715 9.576 6.122 1.00 0.00 C ATOM 1026 CD2 LEU A 154 1.339 7.765 5.088 1.00 0.00 C ATOM 0 H LEU A 154 2.576 5.618 6.415 1.00 0.00 H new ATOM 0 HA LEU A 154 3.081 6.255 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 154 4.560 7.338 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 154 4.244 8.156 4.635 1.00 0.00 H new ATOM 0 HG LEU A 154 2.393 7.631 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.803 9.995 6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 154 3.553 9.780 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 154 2.905 10.032 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.451 8.214 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.491 8.175 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.205 6.685 5.021 1.00 0.00 H new ATOM 1038 N GLU A 155 5.404 4.497 5.108 1.00 0.00 N ATOM 1039 CA GLU A 155 6.673 3.818 4.867 1.00 0.00 C ATOM 1040 C GLU A 155 6.570 2.874 3.668 1.00 0.00 C ATOM 1041 O GLU A 155 7.584 2.407 3.147 1.00 0.00 O ATOM 1042 CB GLU A 155 7.101 3.036 6.110 1.00 0.00 C ATOM 1043 CG GLU A 155 8.459 2.367 5.969 1.00 0.00 C ATOM 1044 CD GLU A 155 9.274 2.428 7.246 1.00 0.00 C ATOM 1045 OE1 GLU A 155 8.996 1.631 8.167 1.00 0.00 O ATOM 1046 OE2 GLU A 155 10.192 3.272 7.325 1.00 0.00 O ATOM 0 H GLU A 155 4.889 4.155 5.919 1.00 0.00 H new ATOM 0 HA GLU A 155 7.424 4.576 4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 155 7.125 3.712 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 155 6.351 2.275 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 155 8.319 1.325 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 155 9.015 2.848 5.164 1.00 0.00 H new ATOM 1053 N PHE A 156 5.343 2.599 3.232 1.00 0.00 N ATOM 1054 CA PHE A 156 5.113 1.715 2.094 1.00 0.00 C ATOM 1055 C PHE A 156 5.536 2.390 0.793 1.00 0.00 C ATOM 1056 O PHE A 156 6.411 1.897 0.081 1.00 0.00 O ATOM 1057 CB PHE A 156 3.634 1.323 2.022 1.00 0.00 C ATOM 1058 CG PHE A 156 3.400 -0.160 1.971 1.00 0.00 C ATOM 1059 CD1 PHE A 156 3.381 -0.912 3.134 1.00 0.00 C ATOM 1060 CD2 PHE A 156 3.193 -0.799 0.760 1.00 0.00 C ATOM 1061 CE1 PHE A 156 3.160 -2.275 3.091 1.00 0.00 C ATOM 1062 CE2 PHE A 156 2.972 -2.163 0.710 1.00 0.00 C ATOM 1063 CZ PHE A 156 2.956 -2.901 1.877 1.00 0.00 C ATOM 0 H PHE A 156 4.493 2.976 3.650 1.00 0.00 H new ATOM 0 HA PHE A 156 5.715 0.816 2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 156 3.117 1.733 2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 156 3.189 1.782 1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.541 -0.427 4.086 1.00 0.00 H new ATOM 0 HD2 PHE A 156 3.204 -0.226 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 156 3.147 -2.850 4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 156 2.812 -2.650 -0.240 1.00 0.00 H new ATOM 0 HZ PHE A 156 2.784 -3.967 1.840 1.00 0.00 H new ATOM 1073 N MET A 157 4.907 3.520 0.490 1.00 0.00 N ATOM 1074 CA MET A 157 5.214 4.267 -0.725 1.00 0.00 C ATOM 1075 C MET A 157 6.693 4.642 -0.782 1.00 0.00 C ATOM 1076 O MET A 157 7.246 4.856 -1.860 1.00 0.00 O ATOM 1077 CB MET A 157 4.344 5.526 -0.808 1.00 0.00 C ATOM 1078 CG MET A 157 4.818 6.664 0.085 1.00 0.00 C ATOM 1079 SD MET A 157 5.621 7.987 -0.841 1.00 0.00 S ATOM 1080 CE MET A 157 4.230 8.655 -1.750 1.00 0.00 C ATOM 0 H MET A 157 4.180 3.940 1.070 1.00 0.00 H new ATOM 0 HA MET A 157 4.994 3.627 -1.580 1.00 0.00 H new ATOM 0 HB2 MET A 157 4.322 5.873 -1.841 1.00 0.00 H new ATOM 0 HB3 MET A 157 3.321 5.267 -0.537 1.00 0.00 H new ATOM 0 HG2 MET A 157 3.966 7.072 0.629 1.00 0.00 H new ATOM 0 HG3 MET A 157 5.513 6.272 0.828 1.00 0.00 H new ATOM 0 HE1 MET A 157 4.443 9.685 -2.036 1.00 0.00 H new ATOM 0 HE2 MET A 157 4.060 8.057 -2.645 1.00 0.00 H new ATOM 0 HE3 MET A 157 3.339 8.630 -1.122 1.00 0.00 H new ATOM 1090 N LYS A 158 7.330 4.722 0.386 1.00 0.00 N ATOM 1091 CA LYS A 158 8.746 5.072 0.465 1.00 0.00 C ATOM 1092 C LYS A 158 9.565 4.258 -0.532 1.00 0.00 C ATOM 1093 O LYS A 158 10.573 4.731 -1.057 1.00 0.00 O ATOM 1094 CB LYS A 158 9.271 4.847 1.886 1.00 0.00 C ATOM 1095 CG LYS A 158 9.539 6.136 2.644 1.00 0.00 C ATOM 1096 CD LYS A 158 10.753 6.009 3.552 1.00 0.00 C ATOM 1097 CE LYS A 158 11.967 6.708 2.961 1.00 0.00 C ATOM 1098 NZ LYS A 158 12.885 5.751 2.285 1.00 0.00 N ATOM 0 H LYS A 158 6.888 4.549 1.289 1.00 0.00 H new ATOM 0 HA LYS A 158 8.849 6.127 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 158 8.547 4.251 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 158 10.192 4.265 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 158 9.697 6.949 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 158 8.664 6.397 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 158 10.525 6.437 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 158 10.981 4.955 3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 158 11.639 7.463 2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 158 12.506 7.231 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 13.700 6.267 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 13.219 5.046 2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 12.379 5.271 1.514 1.00 0.00 H new ATOM 1112 N GLY A 159 9.119 3.034 -0.795 1.00 0.00 N ATOM 1113 CA GLY A 159 9.816 2.179 -1.735 1.00 0.00 C ATOM 1114 C GLY A 159 9.724 2.701 -3.154 1.00 0.00 C ATOM 1115 O GLY A 159 10.698 2.658 -3.904 1.00 0.00 O ATOM 0 H GLY A 159 8.288 2.620 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 159 10.864 2.100 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 159 9.396 1.174 -1.691 1.00 0.00 H new ATOM 1119 N VAL A 160 8.548 3.201 -3.518 1.00 0.00 N ATOM 1120 CA VAL A 160 8.326 3.741 -4.851 1.00 0.00 C ATOM 1121 C VAL A 160 9.278 4.899 -5.137 1.00 0.00 C ATOM 1122 O VAL A 160 9.594 5.184 -6.292 1.00 0.00 O ATOM 1123 CB VAL A 160 6.874 4.227 -5.017 1.00 0.00 C ATOM 1124 CG1 VAL A 160 6.630 4.715 -6.434 1.00 0.00 C ATOM 1125 CG2 VAL A 160 5.894 3.121 -4.653 1.00 0.00 C ATOM 0 H VAL A 160 7.733 3.243 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 160 8.516 2.936 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 160 6.714 5.063 -4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 160 5.598 5.054 -6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 160 7.305 5.541 -6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.811 3.901 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 160 4.874 3.484 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.055 2.263 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.050 2.823 -3.616 1.00 0.00 H new ATOM 1135 N GLU A 161 9.729 5.562 -4.078 1.00 0.00 N ATOM 1136 CA GLU A 161 10.644 6.689 -4.215 1.00 0.00 C ATOM 1137 C GLU A 161 12.041 6.319 -3.725 1.00 0.00 C ATOM 1138 O GLU A 161 12.160 5.333 -2.968 1.00 0.00 O ATOM 1139 CB GLU A 161 10.118 7.898 -3.438 1.00 0.00 C ATOM 1140 CG GLU A 161 10.111 9.185 -4.247 1.00 0.00 C ATOM 1141 CD GLU A 161 10.884 10.303 -3.574 1.00 0.00 C ATOM 1142 OE1 GLU A 161 10.452 10.755 -2.492 1.00 0.00 O ATOM 1143 OE2 GLU A 161 11.919 10.726 -4.128 1.00 0.00 O ATOM 1144 OXT GLU A 161 13.004 7.019 -4.103 1.00 0.00 O ATOM 0 H GLU A 161 9.476 5.339 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 161 10.708 6.947 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 161 9.104 7.687 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 161 10.730 8.042 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 161 10.540 8.993 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 161 9.081 9.505 -4.405 1.00 0.00 H new ATOM 1226 N PHE B 132 6.248 -5.352 -5.636 1.00 0.00 N ATOM 1227 CA PHE B 132 5.863 -5.862 -6.948 1.00 0.00 C ATOM 1228 C PHE B 132 4.886 -4.907 -7.645 1.00 0.00 C ATOM 1229 O PHE B 132 5.240 -3.762 -7.924 1.00 0.00 O ATOM 1230 CB PHE B 132 5.276 -7.277 -6.809 1.00 0.00 C ATOM 1231 CG PHE B 132 4.338 -7.441 -5.639 1.00 0.00 C ATOM 1232 CD1 PHE B 132 4.810 -7.360 -4.337 1.00 0.00 C ATOM 1233 CD2 PHE B 132 2.987 -7.679 -5.841 1.00 0.00 C ATOM 1234 CE1 PHE B 132 3.953 -7.512 -3.264 1.00 0.00 C ATOM 1235 CE2 PHE B 132 2.126 -7.831 -4.772 1.00 0.00 C ATOM 1236 CZ PHE B 132 2.609 -7.748 -3.481 1.00 0.00 C ATOM 0 HA PHE B 132 6.751 -5.923 -7.577 1.00 0.00 H new ATOM 0 HB2 PHE B 132 4.744 -7.530 -7.726 1.00 0.00 H new ATOM 0 HB3 PHE B 132 6.094 -7.990 -6.708 1.00 0.00 H new ATOM 0 HD1 PHE B 132 5.859 -7.176 -4.160 1.00 0.00 H new ATOM 0 HD2 PHE B 132 2.603 -7.746 -6.848 1.00 0.00 H new ATOM 0 HE1 PHE B 132 4.334 -7.446 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE B 132 1.076 -8.015 -4.946 1.00 0.00 H new ATOM 0 HZ PHE B 132 1.938 -7.867 -2.643 1.00 0.00 H new ATOM 1246 N ASP B 133 3.663 -5.362 -7.928 1.00 0.00 N ATOM 1247 CA ASP B 133 2.668 -4.521 -8.586 1.00 0.00 C ATOM 1248 C ASP B 133 2.151 -3.451 -7.629 1.00 0.00 C ATOM 1249 O ASP B 133 0.944 -3.238 -7.506 1.00 0.00 O ATOM 1250 CB ASP B 133 1.505 -5.374 -9.096 1.00 0.00 C ATOM 1251 CG ASP B 133 0.699 -4.671 -10.170 1.00 0.00 C ATOM 1252 OD1 ASP B 133 0.775 -3.427 -10.250 1.00 0.00 O ATOM 1253 OD2 ASP B 133 -0.008 -5.364 -10.931 1.00 0.00 O ATOM 0 H ASP B 133 3.341 -6.305 -7.711 1.00 0.00 H new ATOM 0 HA ASP B 133 3.143 -4.028 -9.434 1.00 0.00 H new ATOM 0 HB2 ASP B 133 1.893 -6.312 -9.493 1.00 0.00 H new ATOM 0 HB3 ASP B 133 0.851 -5.627 -8.262 1.00 0.00 H new ATOM 1258 N LEU B 134 3.078 -2.783 -6.954 1.00 0.00 N ATOM 1259 CA LEU B 134 2.743 -1.736 -6.004 1.00 0.00 C ATOM 1260 C LEU B 134 3.560 -0.486 -6.298 1.00 0.00 C ATOM 1261 O LEU B 134 3.046 0.632 -6.259 1.00 0.00 O ATOM 1262 CB LEU B 134 3.017 -2.211 -4.576 1.00 0.00 C ATOM 1263 CG LEU B 134 2.054 -3.277 -4.048 1.00 0.00 C ATOM 1264 CD1 LEU B 134 2.162 -4.550 -4.874 1.00 0.00 C ATOM 1265 CD2 LEU B 134 2.333 -3.567 -2.580 1.00 0.00 C ATOM 0 H LEU B 134 4.079 -2.953 -7.051 1.00 0.00 H new ATOM 0 HA LEU B 134 1.683 -1.501 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU B 134 4.032 -2.606 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU B 134 2.980 -1.349 -3.910 1.00 0.00 H new ATOM 0 HG LEU B 134 1.037 -2.896 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU B 134 1.470 -5.297 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU B 134 1.913 -4.332 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU B 134 3.180 -4.935 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU B 134 1.639 -4.327 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU B 134 3.356 -3.927 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU B 134 2.204 -2.654 -1.998 1.00 0.00 H new ATOM 1277 N ARG B 135 4.841 -0.687 -6.599 1.00 0.00 N ATOM 1278 CA ARG B 135 5.737 0.421 -6.907 1.00 0.00 C ATOM 1279 C ARG B 135 5.198 1.241 -8.072 1.00 0.00 C ATOM 1280 O ARG B 135 5.174 2.470 -8.021 1.00 0.00 O ATOM 1281 CB ARG B 135 7.130 -0.102 -7.256 1.00 0.00 C ATOM 1282 CG ARG B 135 8.091 0.983 -7.716 1.00 0.00 C ATOM 1283 CD ARG B 135 9.523 0.476 -7.780 1.00 0.00 C ATOM 1284 NE ARG B 135 10.104 0.645 -9.110 1.00 0.00 N ATOM 1285 CZ ARG B 135 11.407 0.558 -9.366 1.00 0.00 C ATOM 1286 NH1 ARG B 135 12.268 0.309 -8.387 1.00 0.00 N ATOM 1287 NH2 ARG B 135 11.851 0.723 -10.605 1.00 0.00 N ATOM 0 H ARG B 135 5.280 -1.607 -6.636 1.00 0.00 H new ATOM 0 HA ARG B 135 5.801 1.057 -6.024 1.00 0.00 H new ATOM 0 HB2 ARG B 135 7.550 -0.602 -6.383 1.00 0.00 H new ATOM 0 HB3 ARG B 135 7.041 -0.853 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG B 135 7.789 1.344 -8.699 1.00 0.00 H new ATOM 0 HG3 ARG B 135 8.035 1.831 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG B 135 10.130 1.010 -7.049 1.00 0.00 H new ATOM 0 HD3 ARG B 135 9.547 -0.578 -7.505 1.00 0.00 H new ATOM 0 HE ARG B 135 9.474 0.841 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG B 135 11.932 0.183 -7.432 1.00 0.00 H new ATOM 0 HH12 ARG B 135 13.266 0.243 -8.590 1.00 0.00 H new ATOM 0 HH21 ARG B 135 11.194 0.916 -11.361 1.00 0.00 H new ATOM 0 HH22 ARG B 135 12.850 0.656 -10.802 1.00 0.00 H new ATOM 1301 N GLY B 136 4.772 0.549 -9.123 1.00 0.00 N ATOM 1302 CA GLY B 136 4.246 1.232 -10.286 1.00 0.00 C ATOM 1303 C GLY B 136 2.767 1.547 -10.165 1.00 0.00 C ATOM 1304 O GLY B 136 2.104 1.842 -11.159 1.00 0.00 O ATOM 0 H GLY B 136 4.782 -0.469 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY B 136 4.799 2.159 -10.438 1.00 0.00 H new ATOM 0 HA3 GLY B 136 4.410 0.615 -11.169 1.00 0.00 H new ATOM 1308 N LYS B 137 2.254 1.491 -8.941 1.00 0.00 N ATOM 1309 CA LYS B 137 0.849 1.779 -8.679 1.00 0.00 C ATOM 1310 C LYS B 137 0.711 2.624 -7.417 1.00 0.00 C ATOM 1311 O LYS B 137 -0.332 2.619 -6.763 1.00 0.00 O ATOM 1312 CB LYS B 137 0.054 0.479 -8.522 1.00 0.00 C ATOM 1313 CG LYS B 137 0.483 -0.625 -9.477 1.00 0.00 C ATOM 1314 CD LYS B 137 -0.112 -0.426 -10.862 1.00 0.00 C ATOM 1315 CE LYS B 137 -1.304 -1.341 -11.092 1.00 0.00 C ATOM 1316 NZ LYS B 137 -2.286 -0.746 -12.040 1.00 0.00 N ATOM 0 H LYS B 137 2.794 1.247 -8.110 1.00 0.00 H new ATOM 0 HA LYS B 137 0.449 2.335 -9.527 1.00 0.00 H new ATOM 0 HB2 LYS B 137 0.160 0.121 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS B 137 -1.004 0.690 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS B 137 1.571 -0.645 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS B 137 0.171 -1.591 -9.081 1.00 0.00 H new ATOM 0 HD2 LYS B 137 -0.421 0.613 -10.981 1.00 0.00 H new ATOM 0 HD3 LYS B 137 0.649 -0.621 -11.618 1.00 0.00 H new ATOM 0 HE2 LYS B 137 -0.957 -2.298 -11.482 1.00 0.00 H new ATOM 0 HE3 LYS B 137 -1.795 -1.544 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS B 137 -3.084 -1.401 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 137 -2.637 0.155 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 137 -1.825 -0.576 -12.956 1.00 0.00 H new ATOM 1330 N PHE B 138 1.777 3.343 -7.078 1.00 0.00 N ATOM 1331 CA PHE B 138 1.790 4.190 -5.893 1.00 0.00 C ATOM 1332 C PHE B 138 2.155 5.627 -6.255 1.00 0.00 C ATOM 1333 O PHE B 138 2.688 6.369 -5.430 1.00 0.00 O ATOM 1334 CB PHE B 138 2.786 3.635 -4.871 1.00 0.00 C ATOM 1335 CG PHE B 138 2.140 3.111 -3.622 1.00 0.00 C ATOM 1336 CD1 PHE B 138 1.668 3.981 -2.652 1.00 0.00 C ATOM 1337 CD2 PHE B 138 2.007 1.748 -3.418 1.00 0.00 C ATOM 1338 CE1 PHE B 138 1.075 3.499 -1.500 1.00 0.00 C ATOM 1339 CE2 PHE B 138 1.415 1.260 -2.269 1.00 0.00 C ATOM 1340 CZ PHE B 138 0.948 2.137 -1.308 1.00 0.00 C ATOM 0 H PHE B 138 2.646 3.355 -7.611 1.00 0.00 H new ATOM 0 HA PHE B 138 0.791 4.193 -5.458 1.00 0.00 H new ATOM 0 HB2 PHE B 138 3.361 2.834 -5.335 1.00 0.00 H new ATOM 0 HB3 PHE B 138 3.493 4.420 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE B 138 1.764 5.047 -2.798 1.00 0.00 H new ATOM 0 HD2 PHE B 138 2.370 1.058 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE B 138 0.711 4.187 -0.751 1.00 0.00 H new ATOM 0 HE2 PHE B 138 1.317 0.195 -2.122 1.00 0.00 H new ATOM 0 HZ PHE B 138 0.485 1.758 -0.409 1.00 0.00 H new