USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 85 ASN : amide:sc= -2.22 K(o=-3.9,f=-8.1!) USER MOD Set 1.2: A 130 HIS : no HD1:sc= -1.49 K(o=-3.9,f=-2.7) USER MOD Set 1.3: A 131 SER OG : rot 180:sc= 0 USER MOD Set 1.4: B 4 THR OG1 : rot 180:sc= -0.191 USER MOD Set 2.1: A 78 SER OG : rot 170:sc= -1.01 USER MOD Set 2.2: B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.00024) USER MOD Single : A 93 SER OG : rot 6:sc= 0.454 USER MOD Single : A 97 THR OG1 : rot -22:sc= -0.941 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.827 X(o=-0.83,f=-0.79) USER MOD Single : A 116 SER OG : rot -59:sc= 1.48 USER MOD Single : A 121 ASN : amide:sc= -3.78! C(o=-3.8!,f=-3.2!) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= -0.141 (180deg=-0.141) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 TYR N :NH3+ -125:sc= 0.0185 (180deg=0) USER MOD Single : B 1 TYR OH : rot 180:sc= 0 USER MOD Single : B 2 LYS NZ :NH3+ -160:sc= -0.0697 (180deg=-0.364) USER MOD ----------------------------------------------------------------- ATOM 18 N TYR A 63 -3.180 -12.214 6.763 1.00 0.00 N ATOM 19 CA TYR A 63 -3.431 -10.855 6.242 1.00 0.00 C ATOM 20 C TYR A 63 -4.106 -9.991 7.340 1.00 0.00 C ATOM 21 O TYR A 63 -5.006 -10.422 8.070 1.00 0.00 O ATOM 22 CB TYR A 63 -4.192 -10.865 4.882 1.00 0.00 C ATOM 23 CG TYR A 63 -5.654 -11.347 4.952 1.00 0.00 C ATOM 24 CD1 TYR A 63 -5.918 -12.709 5.113 1.00 0.00 C ATOM 25 CD2 TYR A 63 -6.696 -10.422 5.020 1.00 0.00 C ATOM 26 CE1 TYR A 63 -7.222 -13.142 5.360 1.00 0.00 C ATOM 27 CE2 TYR A 63 -8.006 -10.860 5.243 1.00 0.00 C ATOM 28 CZ TYR A 63 -8.257 -12.219 5.408 1.00 0.00 C ATOM 29 OH TYR A 63 -9.543 -12.668 5.588 1.00 0.00 O ATOM 0 HA TYR A 63 -2.476 -10.386 6.004 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.178 -9.857 4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.649 -11.503 4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.114 -13.427 5.046 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.492 -9.368 4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.425 -14.192 5.513 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.817 -10.148 5.287 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.157 -11.904 5.601 1.00 0.00 H new ATOM 39 N GLU A 64 -3.645 -8.742 7.392 1.00 0.00 N ATOM 40 CA GLU A 64 -4.060 -7.730 8.380 1.00 0.00 C ATOM 41 C GLU A 64 -5.019 -6.758 7.652 1.00 0.00 C ATOM 42 O GLU A 64 -4.755 -6.298 6.536 1.00 0.00 O ATOM 43 CB GLU A 64 -2.835 -6.942 8.924 1.00 0.00 C ATOM 44 CG GLU A 64 -1.569 -7.732 9.339 1.00 0.00 C ATOM 45 CD GLU A 64 -1.588 -8.195 10.792 1.00 0.00 C ATOM 46 OE1 GLU A 64 -1.276 -7.375 11.685 1.00 0.00 O ATOM 47 OE2 GLU A 64 -1.910 -9.375 11.051 1.00 0.00 O ATOM 0 H GLU A 64 -2.952 -8.390 6.732 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.543 -8.212 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.540 -6.221 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.167 -6.371 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.465 -8.602 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.691 -7.107 9.177 1.00 0.00 H new ATOM 54 N GLU A 65 -6.129 -6.442 8.319 1.00 0.00 N ATOM 55 CA GLU A 65 -7.219 -5.629 7.730 1.00 0.00 C ATOM 56 C GLU A 65 -7.111 -4.228 8.372 1.00 0.00 C ATOM 57 O GLU A 65 -7.200 -4.068 9.595 1.00 0.00 O ATOM 58 CB GLU A 65 -8.610 -6.246 8.010 1.00 0.00 C ATOM 59 CG GLU A 65 -8.774 -7.756 7.711 1.00 0.00 C ATOM 60 CD GLU A 65 -9.999 -8.347 8.393 1.00 0.00 C ATOM 61 OE1 GLU A 65 -9.927 -8.620 9.612 1.00 0.00 O ATOM 62 OE2 GLU A 65 -11.037 -8.538 7.724 1.00 0.00 O ATOM 0 H GLU A 65 -6.308 -6.736 9.279 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.117 -5.585 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.851 -6.079 9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.349 -5.701 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.852 -7.905 6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.883 -8.289 8.042 1.00 0.00 H new ATOM 69 N ILE A 66 -6.879 -3.232 7.522 1.00 0.00 N ATOM 70 CA ILE A 66 -6.509 -1.864 7.954 1.00 0.00 C ATOM 71 C ILE A 66 -7.333 -0.898 7.088 1.00 0.00 C ATOM 72 O ILE A 66 -7.019 -0.670 5.922 1.00 0.00 O ATOM 73 CB ILE A 66 -4.965 -1.584 7.888 1.00 0.00 C ATOM 74 CG1 ILE A 66 -4.179 -2.241 6.716 1.00 0.00 C ATOM 75 CG2 ILE A 66 -4.310 -2.017 9.203 1.00 0.00 C ATOM 76 CD1 ILE A 66 -2.797 -1.641 6.413 1.00 0.00 C ATOM 0 H ILE A 66 -6.939 -3.339 6.509 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.741 -1.727 9.010 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.904 -0.511 7.708 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.052 -3.301 6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.788 -2.175 5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.238 -1.823 9.157 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.746 -1.455 10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.479 -3.082 9.360 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.343 -2.177 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.907 -0.589 6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.160 -1.732 7.293 1.00 0.00 H new ATOM 88 N THR A 67 -8.382 -0.313 7.684 1.00 0.00 N ATOM 89 CA THR A 67 -9.180 0.737 7.017 1.00 0.00 C ATOM 90 C THR A 67 -8.676 2.099 7.551 1.00 0.00 C ATOM 91 O THR A 67 -8.631 2.345 8.762 1.00 0.00 O ATOM 92 CB THR A 67 -10.705 0.534 7.196 1.00 0.00 C ATOM 93 OG1 THR A 67 -11.057 -0.802 6.847 1.00 0.00 O ATOM 94 CG2 THR A 67 -11.529 1.470 6.292 1.00 0.00 C ATOM 0 H THR A 67 -8.701 -0.546 8.625 1.00 0.00 H new ATOM 0 HA THR A 67 -9.039 0.691 5.937 1.00 0.00 H new ATOM 0 HB THR A 67 -10.928 0.753 8.240 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.022 -0.927 6.963 1.00 0.00 H new ATOM 0 HG21 THR A 67 -12.592 1.290 6.454 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.296 2.507 6.534 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.283 1.277 5.248 1.00 0.00 H new ATOM 102 N LEU A 68 -8.313 2.970 6.604 1.00 0.00 N ATOM 103 CA LEU A 68 -7.840 4.338 6.898 1.00 0.00 C ATOM 104 C LEU A 68 -8.674 5.326 6.054 1.00 0.00 C ATOM 105 O LEU A 68 -9.030 5.053 4.909 1.00 0.00 O ATOM 106 CB LEU A 68 -6.302 4.414 6.650 1.00 0.00 C ATOM 107 CG LEU A 68 -5.560 5.353 7.625 1.00 0.00 C ATOM 108 CD1 LEU A 68 -4.112 4.917 7.872 1.00 0.00 C ATOM 109 CD2 LEU A 68 -5.600 6.852 7.248 1.00 0.00 C ATOM 0 H LEU A 68 -8.337 2.751 5.608 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.985 4.612 7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.880 3.412 6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.124 4.751 5.629 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.128 5.254 8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.636 5.611 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.102 3.914 8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.567 4.915 6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.052 7.429 7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.141 6.993 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.635 7.192 7.216 1.00 0.00 H new ATOM 121 N GLU A 69 -9.002 6.488 6.628 1.00 0.00 N ATOM 122 CA GLU A 69 -9.843 7.504 5.947 1.00 0.00 C ATOM 123 C GLU A 69 -8.978 8.436 5.077 1.00 0.00 C ATOM 124 O GLU A 69 -8.347 9.367 5.587 1.00 0.00 O ATOM 125 CB GLU A 69 -10.665 8.328 6.955 1.00 0.00 C ATOM 126 CG GLU A 69 -11.574 7.482 7.871 1.00 0.00 C ATOM 127 CD GLU A 69 -12.981 8.051 7.990 1.00 0.00 C ATOM 128 OE1 GLU A 69 -13.212 8.920 8.858 1.00 0.00 O ATOM 129 OE2 GLU A 69 -13.860 7.641 7.199 1.00 0.00 O ATOM 0 H GLU A 69 -8.702 6.758 7.565 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.541 6.969 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.982 8.908 7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.282 9.041 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.629 6.465 7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.126 7.420 8.863 1.00 0.00 H new ATOM 199 N LEU A 75 -3.621 10.699 -0.014 1.00 0.00 N ATOM 200 CA LEU A 75 -3.575 9.648 1.011 1.00 0.00 C ATOM 201 C LEU A 75 -2.590 10.103 2.099 1.00 0.00 C ATOM 202 O LEU A 75 -3.007 10.329 3.230 1.00 0.00 O ATOM 203 CB LEU A 75 -3.259 8.244 0.436 1.00 0.00 C ATOM 204 CG LEU A 75 -4.323 7.630 -0.511 1.00 0.00 C ATOM 205 CD1 LEU A 75 -4.356 8.238 -1.914 1.00 0.00 C ATOM 206 CD2 LEU A 75 -4.135 6.119 -0.581 1.00 0.00 C ATOM 0 HA LEU A 75 -4.564 9.519 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.314 8.301 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.109 7.559 1.271 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.293 7.874 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.129 7.747 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.574 9.304 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.388 8.097 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.884 5.690 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.139 5.894 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.248 5.692 0.415 1.00 0.00 H new ATOM 218 N GLY A 76 -1.301 10.217 1.771 1.00 0.00 N ATOM 219 CA GLY A 76 -0.235 10.482 2.749 1.00 0.00 C ATOM 220 C GLY A 76 0.623 9.283 3.165 1.00 0.00 C ATOM 221 O GLY A 76 0.990 9.189 4.336 1.00 0.00 O ATOM 0 H GLY A 76 -0.962 10.128 0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.424 11.247 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.691 10.903 3.645 1.00 0.00 H new ATOM 225 N PHE A 77 0.933 8.383 2.226 1.00 0.00 N ATOM 226 CA PHE A 77 1.941 7.322 2.396 1.00 0.00 C ATOM 227 C PHE A 77 2.574 7.062 1.005 1.00 0.00 C ATOM 228 O PHE A 77 2.057 7.386 -0.059 1.00 0.00 O ATOM 229 CB PHE A 77 1.422 6.054 3.162 1.00 0.00 C ATOM 230 CG PHE A 77 0.239 5.203 2.668 1.00 0.00 C ATOM 231 CD1 PHE A 77 -0.314 5.386 1.403 1.00 0.00 C ATOM 232 CD2 PHE A 77 -0.333 4.263 3.524 1.00 0.00 C ATOM 233 CE1 PHE A 77 -1.432 4.674 1.010 1.00 0.00 C ATOM 234 CE2 PHE A 77 -1.473 3.553 3.131 1.00 0.00 C ATOM 235 CZ PHE A 77 -2.027 3.774 1.869 1.00 0.00 C ATOM 0 H PHE A 77 0.485 8.368 1.310 1.00 0.00 H new ATOM 0 HA PHE A 77 2.726 7.653 3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.272 5.378 3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.167 6.384 4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.136 6.092 0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.105 4.082 4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.843 4.824 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.923 2.836 3.802 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.917 3.243 1.567 1.00 0.00 H new ATOM 245 N SER A 78 3.749 6.477 1.023 1.00 0.00 N ATOM 246 CA SER A 78 4.502 6.090 -0.173 1.00 0.00 C ATOM 247 C SER A 78 4.352 4.609 -0.444 1.00 0.00 C ATOM 248 O SER A 78 4.144 3.808 0.459 1.00 0.00 O ATOM 249 CB SER A 78 5.964 6.383 0.121 1.00 0.00 C ATOM 250 OG SER A 78 6.163 7.768 -0.044 1.00 0.00 O ATOM 0 H SER A 78 4.232 6.245 1.891 1.00 0.00 H new ATOM 0 HA SER A 78 4.137 6.636 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.219 6.078 1.136 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.610 5.820 -0.553 1.00 0.00 H new ATOM 0 HG SER A 78 7.050 8.013 0.292 1.00 0.00 H new ATOM 256 N ILE A 79 4.536 4.262 -1.710 1.00 0.00 N ATOM 257 CA ILE A 79 4.542 2.868 -2.155 1.00 0.00 C ATOM 258 C ILE A 79 5.806 2.627 -2.989 1.00 0.00 C ATOM 259 O ILE A 79 6.116 3.368 -3.918 1.00 0.00 O ATOM 260 CB ILE A 79 3.210 2.436 -2.831 1.00 0.00 C ATOM 261 CG1 ILE A 79 2.930 3.120 -4.189 1.00 0.00 C ATOM 262 CG2 ILE A 79 1.993 2.595 -1.898 1.00 0.00 C ATOM 263 CD1 ILE A 79 2.201 2.186 -5.142 1.00 0.00 C ATOM 0 H ILE A 79 4.686 4.936 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 79 4.589 2.205 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 79 3.357 1.376 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.333 4.018 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.871 3.439 -4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.090 2.279 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.132 1.979 -1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.895 3.640 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.020 2.699 -6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.811 1.300 -5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.249 1.888 -4.703 1.00 0.00 H new ATOM 275 N ALA A 80 6.492 1.530 -2.679 1.00 0.00 N ATOM 276 CA ALA A 80 7.493 0.958 -3.580 1.00 0.00 C ATOM 277 C ALA A 80 6.796 -0.082 -4.491 1.00 0.00 C ATOM 278 O ALA A 80 5.568 -0.148 -4.664 1.00 0.00 O ATOM 279 CB ALA A 80 8.652 0.440 -2.710 1.00 0.00 C ATOM 0 H ALA A 80 6.373 1.016 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 80 7.936 1.676 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.420 0.005 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.078 1.267 -2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.280 -0.319 -2.022 1.00 0.00 H new ATOM 285 N GLY A 81 7.647 -0.801 -5.204 1.00 0.00 N ATOM 286 CA GLY A 81 7.338 -1.196 -6.560 1.00 0.00 C ATOM 287 C GLY A 81 6.727 -2.596 -6.702 1.00 0.00 C ATOM 288 O GLY A 81 6.837 -3.479 -5.847 1.00 0.00 O ATOM 0 H GLY A 81 8.554 -1.120 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.647 -0.469 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.252 -1.152 -7.153 1.00 0.00 H new ATOM 292 N GLY A 82 6.091 -2.735 -7.858 1.00 0.00 N ATOM 293 CA GLY A 82 5.339 -3.931 -8.234 1.00 0.00 C ATOM 294 C GLY A 82 6.049 -4.729 -9.316 1.00 0.00 C ATOM 295 O GLY A 82 7.255 -4.632 -9.518 1.00 0.00 O ATOM 0 H GLY A 82 6.081 -2.009 -8.575 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.193 -4.560 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.349 -3.642 -8.587 1.00 0.00 H new ATOM 299 N THR A 83 5.280 -5.547 -10.021 1.00 0.00 N ATOM 300 CA THR A 83 5.798 -6.461 -11.075 1.00 0.00 C ATOM 301 C THR A 83 6.640 -5.833 -12.226 1.00 0.00 C ATOM 302 O THR A 83 7.649 -6.417 -12.632 1.00 0.00 O ATOM 303 CB THR A 83 4.660 -7.357 -11.642 1.00 0.00 C ATOM 304 OG1 THR A 83 3.724 -6.569 -12.365 1.00 0.00 O ATOM 305 CG2 THR A 83 3.865 -8.190 -10.626 1.00 0.00 C ATOM 0 H THR A 83 4.270 -5.609 -9.890 1.00 0.00 H new ATOM 0 HA THR A 83 6.532 -7.061 -10.538 1.00 0.00 H new ATOM 0 HB THR A 83 5.198 -8.069 -12.268 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.014 -7.146 -12.718 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.103 -8.769 -11.147 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.540 -8.867 -10.103 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.387 -7.526 -9.906 1.00 0.00 H new ATOM 313 N ASP A 84 6.239 -4.649 -12.711 1.00 0.00 N ATOM 314 CA ASP A 84 7.046 -3.840 -13.665 1.00 0.00 C ATOM 315 C ASP A 84 8.298 -3.110 -13.069 1.00 0.00 C ATOM 316 O ASP A 84 9.218 -2.776 -13.821 1.00 0.00 O ATOM 317 CB ASP A 84 6.048 -2.827 -14.278 1.00 0.00 C ATOM 318 CG ASP A 84 6.599 -1.926 -15.391 1.00 0.00 C ATOM 319 OD1 ASP A 84 6.837 -2.424 -16.511 1.00 0.00 O ATOM 320 OD2 ASP A 84 6.820 -0.722 -15.131 1.00 0.00 O ATOM 0 H ASP A 84 5.350 -4.217 -12.460 1.00 0.00 H new ATOM 0 HA ASP A 84 7.498 -4.512 -14.394 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.197 -3.381 -14.675 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.669 -2.191 -13.478 1.00 0.00 H new ATOM 325 N ASN A 85 8.302 -2.819 -11.762 1.00 0.00 N ATOM 326 CA ASN A 85 9.373 -2.064 -11.084 1.00 0.00 C ATOM 327 C ASN A 85 9.532 -2.815 -9.731 1.00 0.00 C ATOM 328 O ASN A 85 8.909 -2.374 -8.779 1.00 0.00 O ATOM 329 CB ASN A 85 8.922 -0.560 -11.062 1.00 0.00 C ATOM 330 CG ASN A 85 9.264 0.284 -9.826 1.00 0.00 C ATOM 331 OD1 ASN A 85 10.183 -0.002 -9.072 1.00 0.00 O ATOM 332 ND2 ASN A 85 8.489 1.293 -9.523 1.00 0.00 N ATOM 0 H ASN A 85 7.551 -3.104 -11.133 1.00 0.00 H new ATOM 0 HA ASN A 85 10.360 -2.024 -11.544 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.359 -0.069 -11.931 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.840 -0.535 -11.193 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.656 1.826 -8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.717 1.547 -10.140 1.00 0.00 H new ATOM 339 N PRO A 86 10.257 -3.946 -9.546 1.00 0.00 N ATOM 340 CA PRO A 86 10.178 -4.717 -8.284 1.00 0.00 C ATOM 341 C PRO A 86 11.466 -4.549 -7.441 1.00 0.00 C ATOM 342 O PRO A 86 12.558 -4.922 -7.887 1.00 0.00 O ATOM 343 CB PRO A 86 9.979 -6.116 -8.850 1.00 0.00 C ATOM 344 CG PRO A 86 10.673 -6.188 -10.205 1.00 0.00 C ATOM 345 CD PRO A 86 10.829 -4.735 -10.653 1.00 0.00 C ATOM 0 HA PRO A 86 9.399 -4.418 -7.583 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.393 -6.862 -8.172 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.916 -6.335 -8.956 1.00 0.00 H new ATOM 0 HG2 PRO A 86 11.642 -6.682 -10.126 1.00 0.00 H new ATOM 0 HG3 PRO A 86 10.082 -6.759 -10.920 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.876 -4.482 -10.822 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.301 -4.549 -11.588 1.00 0.00 H new ATOM 353 N HIS A 87 11.326 -3.990 -6.234 1.00 0.00 N ATOM 354 CA HIS A 87 12.482 -3.741 -5.329 1.00 0.00 C ATOM 355 C HIS A 87 12.586 -4.703 -4.108 1.00 0.00 C ATOM 356 O HIS A 87 13.701 -5.025 -3.686 1.00 0.00 O ATOM 357 CB HIS A 87 12.451 -2.247 -4.909 1.00 0.00 C ATOM 358 CG HIS A 87 13.681 -1.734 -4.155 1.00 0.00 C ATOM 359 ND1 HIS A 87 13.613 -1.020 -2.970 1.00 0.00 N ATOM 360 CD2 HIS A 87 15.030 -1.934 -4.519 1.00 0.00 C ATOM 361 CE1 HIS A 87 14.947 -0.862 -2.707 1.00 0.00 C ATOM 362 NE2 HIS A 87 15.873 -1.378 -3.575 1.00 0.00 N ATOM 0 H HIS A 87 10.428 -3.697 -5.850 1.00 0.00 H new ATOM 0 HA HIS A 87 13.392 -3.963 -5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 87 12.321 -1.641 -5.806 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.573 -2.084 -4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 87 15.358 -2.449 -5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.268 -0.334 -1.821 1.00 0.00 H new ATOM 0 HE2 HIS A 87 16.892 -1.358 -3.536 1.00 0.00 H new ATOM 421 N PRO A 92 8.208 -8.842 -6.983 1.00 0.00 N ATOM 422 CA PRO A 92 6.968 -8.291 -7.574 1.00 0.00 C ATOM 423 C PRO A 92 5.759 -8.352 -6.607 1.00 0.00 C ATOM 424 O PRO A 92 4.914 -9.253 -6.653 1.00 0.00 O ATOM 425 CB PRO A 92 6.802 -9.236 -8.775 1.00 0.00 C ATOM 426 CG PRO A 92 7.567 -10.520 -8.529 1.00 0.00 C ATOM 427 CD PRO A 92 8.314 -10.287 -7.233 1.00 0.00 C ATOM 0 HA PRO A 92 7.020 -7.231 -7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 92 5.746 -9.456 -8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.166 -8.753 -9.682 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.892 -11.372 -8.448 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.254 -10.734 -9.348 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.876 -10.861 -6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.356 -10.597 -7.317 1.00 0.00 H new ATOM 435 N SER A 93 5.717 -7.377 -5.707 1.00 0.00 N ATOM 436 CA SER A 93 4.677 -7.294 -4.667 1.00 0.00 C ATOM 437 C SER A 93 4.652 -5.820 -4.272 1.00 0.00 C ATOM 438 O SER A 93 5.690 -5.184 -4.056 1.00 0.00 O ATOM 439 CB SER A 93 4.951 -8.203 -3.452 1.00 0.00 C ATOM 440 OG SER A 93 4.883 -9.571 -3.825 1.00 0.00 O ATOM 0 H SER A 93 6.398 -6.619 -5.670 1.00 0.00 H new ATOM 0 HA SER A 93 3.717 -7.648 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.936 -7.981 -3.040 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.224 -7.998 -2.667 1.00 0.00 H new ATOM 0 HG SER A 93 4.770 -9.640 -4.796 1.00 0.00 H new ATOM 446 N ILE A 94 3.443 -5.274 -4.164 1.00 0.00 N ATOM 447 CA ILE A 94 3.259 -3.839 -3.854 1.00 0.00 C ATOM 448 C ILE A 94 3.523 -3.676 -2.346 1.00 0.00 C ATOM 449 O ILE A 94 2.881 -4.309 -1.501 1.00 0.00 O ATOM 450 CB ILE A 94 1.856 -3.299 -4.247 1.00 0.00 C ATOM 451 CG1 ILE A 94 1.346 -3.763 -5.631 1.00 0.00 C ATOM 452 CG2 ILE A 94 1.805 -1.751 -4.096 1.00 0.00 C ATOM 453 CD1 ILE A 94 2.298 -3.450 -6.767 1.00 0.00 C ATOM 0 H ILE A 94 2.573 -5.792 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 94 3.955 -3.246 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 94 1.157 -3.748 -3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.170 -4.838 -5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.386 -3.288 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.815 -1.391 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 94 2.011 -1.479 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.553 -1.297 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.873 -3.805 -7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.455 -2.373 -6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.252 -3.947 -6.590 1.00 0.00 H new ATOM 465 N PHE A 95 4.501 -2.828 -2.065 1.00 0.00 N ATOM 466 CA PHE A 95 4.857 -2.468 -0.683 1.00 0.00 C ATOM 467 C PHE A 95 4.522 -0.994 -0.493 1.00 0.00 C ATOM 468 O PHE A 95 4.586 -0.179 -1.414 1.00 0.00 O ATOM 469 CB PHE A 95 6.356 -2.750 -0.425 1.00 0.00 C ATOM 470 CG PHE A 95 6.600 -4.231 -0.111 1.00 0.00 C ATOM 471 CD1 PHE A 95 6.541 -4.690 1.206 1.00 0.00 C ATOM 472 CD2 PHE A 95 6.838 -5.139 -1.143 1.00 0.00 C ATOM 473 CE1 PHE A 95 6.762 -6.036 1.486 1.00 0.00 C ATOM 474 CE2 PHE A 95 7.069 -6.481 -0.864 1.00 0.00 C ATOM 475 CZ PHE A 95 7.024 -6.931 0.448 1.00 0.00 C ATOM 0 H PHE A 95 5.071 -2.369 -2.775 1.00 0.00 H new ATOM 0 HA PHE A 95 4.295 -3.067 0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.938 -2.461 -1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.705 -2.138 0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 95 6.324 -4.001 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.843 -4.796 -2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.731 -6.387 2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.283 -7.172 -1.666 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.192 -7.975 0.666 1.00 0.00 H new ATOM 485 N ILE A 96 4.208 -0.668 0.756 1.00 0.00 N ATOM 486 CA ILE A 96 4.147 0.734 1.205 1.00 0.00 C ATOM 487 C ILE A 96 5.560 1.031 1.806 1.00 0.00 C ATOM 488 O ILE A 96 6.053 0.327 2.685 1.00 0.00 O ATOM 489 CB ILE A 96 2.858 0.997 2.031 1.00 0.00 C ATOM 490 CG1 ILE A 96 1.536 0.603 1.301 1.00 0.00 C ATOM 491 CG2 ILE A 96 2.859 2.384 2.717 1.00 0.00 C ATOM 492 CD1 ILE A 96 0.279 1.293 1.796 1.00 0.00 C ATOM 0 H ILE A 96 3.990 -1.350 1.482 1.00 0.00 H new ATOM 0 HA ILE A 96 4.001 1.486 0.429 1.00 0.00 H new ATOM 0 HB ILE A 96 2.883 0.290 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.652 0.818 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.398 -0.474 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.934 2.512 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.709 2.454 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.934 3.164 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.578 0.945 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.127 1.059 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.384 2.371 1.675 1.00 0.00 H new ATOM 504 N THR A 97 6.245 2.051 1.277 1.00 0.00 N ATOM 505 CA THR A 97 7.594 2.471 1.753 1.00 0.00 C ATOM 506 C THR A 97 7.536 3.317 3.048 1.00 0.00 C ATOM 507 O THR A 97 8.256 3.016 4.002 1.00 0.00 O ATOM 508 CB THR A 97 8.371 3.258 0.657 1.00 0.00 C ATOM 509 OG1 THR A 97 8.206 2.642 -0.595 1.00 0.00 O ATOM 510 CG2 THR A 97 9.882 3.353 0.913 1.00 0.00 C ATOM 0 H THR A 97 5.891 2.617 0.506 1.00 0.00 H new ATOM 0 HA THR A 97 8.126 1.546 1.977 1.00 0.00 H new ATOM 0 HB THR A 97 7.952 4.264 0.680 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.956 1.703 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.353 3.915 0.107 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.059 3.861 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.308 2.350 0.953 1.00 0.00 H new ATOM 518 N LYS A 98 6.760 4.415 3.018 1.00 0.00 N ATOM 519 CA LYS A 98 6.835 5.497 4.018 1.00 0.00 C ATOM 520 C LYS A 98 5.466 6.139 4.239 1.00 0.00 C ATOM 521 O LYS A 98 4.491 5.934 3.538 1.00 0.00 O ATOM 522 CB LYS A 98 7.824 6.615 3.698 1.00 0.00 C ATOM 523 CG LYS A 98 9.301 6.210 3.646 1.00 0.00 C ATOM 524 CD LYS A 98 10.269 7.401 3.672 1.00 0.00 C ATOM 525 CE LYS A 98 10.173 8.300 4.921 1.00 0.00 C ATOM 526 NZ LYS A 98 10.931 9.536 4.719 1.00 0.00 N ATOM 0 H LYS A 98 6.059 4.578 2.295 1.00 0.00 H new ATOM 0 HA LYS A 98 7.195 4.992 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.553 7.049 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.709 7.400 4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.519 5.557 4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.478 5.629 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.288 7.022 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.089 8.014 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.129 8.536 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.558 7.768 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.857 10.131 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.930 9.306 4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.545 10.050 3.901 1.00 0.00 H new ATOM 540 N ILE A 99 5.416 6.842 5.356 1.00 0.00 N ATOM 541 CA ILE A 99 4.206 7.414 5.955 1.00 0.00 C ATOM 542 C ILE A 99 4.493 8.897 5.750 1.00 0.00 C ATOM 543 O ILE A 99 5.348 9.460 6.446 1.00 0.00 O ATOM 544 CB ILE A 99 4.071 7.050 7.484 1.00 0.00 C ATOM 545 CG1 ILE A 99 5.182 6.109 8.061 1.00 0.00 C ATOM 546 CG2 ILE A 99 2.631 6.582 7.740 1.00 0.00 C ATOM 547 CD1 ILE A 99 5.145 5.783 9.527 1.00 0.00 C ATOM 0 H ILE A 99 6.253 7.044 5.902 1.00 0.00 H new ATOM 0 HA ILE A 99 3.270 7.059 5.525 1.00 0.00 H new ATOM 0 HB ILE A 99 4.262 7.953 8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.142 5.169 7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.149 6.564 7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 99 2.514 6.324 8.793 1.00 0.00 H new ATOM 0 HG22 ILE A 99 1.937 7.382 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.418 5.707 7.126 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.977 5.123 9.774 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.227 6.703 10.106 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.204 5.286 9.766 1.00 0.00 H new ATOM 559 N ILE A 100 3.813 9.515 4.771 1.00 0.00 N ATOM 560 CA ILE A 100 4.053 10.933 4.429 1.00 0.00 C ATOM 561 C ILE A 100 3.618 11.806 5.654 1.00 0.00 C ATOM 562 O ILE A 100 2.434 11.758 6.016 1.00 0.00 O ATOM 563 CB ILE A 100 3.512 11.344 3.009 1.00 0.00 C ATOM 564 CG1 ILE A 100 4.630 11.336 1.933 1.00 0.00 C ATOM 565 CG2 ILE A 100 2.782 12.708 2.942 1.00 0.00 C ATOM 566 CD1 ILE A 100 5.185 9.943 1.632 1.00 0.00 C ATOM 0 H ILE A 100 3.097 9.062 4.204 1.00 0.00 H new ATOM 0 HA ILE A 100 5.115 11.124 4.278 1.00 0.00 H new ATOM 0 HB ILE A 100 2.769 10.574 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.238 11.768 1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.446 11.978 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.451 12.893 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.918 12.691 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.463 13.501 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.962 10.017 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.608 9.515 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.382 9.302 1.269 1.00 0.00 H new ATOM 578 N PRO A 101 4.529 12.590 6.298 1.00 0.00 N ATOM 579 CA PRO A 101 4.160 13.537 7.373 1.00 0.00 C ATOM 580 C PRO A 101 3.178 14.638 6.899 1.00 0.00 C ATOM 581 O PRO A 101 3.353 15.216 5.818 1.00 0.00 O ATOM 582 CB PRO A 101 5.515 14.150 7.776 1.00 0.00 C ATOM 583 CG PRO A 101 6.585 13.183 7.279 1.00 0.00 C ATOM 584 CD PRO A 101 5.981 12.579 6.024 1.00 0.00 C ATOM 0 HA PRO A 101 3.636 13.041 8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.644 15.136 7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.578 14.278 8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.520 13.699 7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 101 6.808 12.418 8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 101 6.226 13.165 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.348 11.568 5.849 1.00 0.00 H new ATOM 592 N GLY A 102 2.137 14.883 7.702 1.00 0.00 N ATOM 593 CA GLY A 102 1.039 15.792 7.291 1.00 0.00 C ATOM 594 C GLY A 102 -0.120 15.206 6.456 1.00 0.00 C ATOM 595 O GLY A 102 -1.079 15.937 6.191 1.00 0.00 O ATOM 0 H GLY A 102 2.023 14.475 8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.612 16.227 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.480 16.610 6.721 1.00 0.00 H new ATOM 599 N GLY A 103 -0.052 13.930 6.048 1.00 0.00 N ATOM 600 CA GLY A 103 -1.155 13.270 5.352 1.00 0.00 C ATOM 601 C GLY A 103 -2.133 12.570 6.302 1.00 0.00 C ATOM 602 O GLY A 103 -2.082 12.675 7.532 1.00 0.00 O ATOM 0 H GLY A 103 0.764 13.335 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.697 14.008 4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.750 12.538 4.653 1.00 0.00 H new ATOM 606 N ALA A 104 -3.054 11.847 5.672 1.00 0.00 N ATOM 607 CA ALA A 104 -4.092 11.090 6.398 1.00 0.00 C ATOM 608 C ALA A 104 -3.613 9.844 7.180 1.00 0.00 C ATOM 609 O ALA A 104 -4.139 9.621 8.272 1.00 0.00 O ATOM 610 CB ALA A 104 -5.198 10.713 5.431 1.00 0.00 C ATOM 0 H ALA A 104 -3.110 11.764 4.657 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.446 11.765 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.969 10.153 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.634 11.617 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.787 10.097 4.631 1.00 0.00 H new ATOM 616 N ALA A 105 -2.596 9.086 6.697 1.00 0.00 N ATOM 617 CA ALA A 105 -1.870 8.107 7.557 1.00 0.00 C ATOM 618 C ALA A 105 -1.318 8.704 8.865 1.00 0.00 C ATOM 619 O ALA A 105 -1.472 8.074 9.904 1.00 0.00 O ATOM 620 CB ALA A 105 -0.659 7.428 6.901 1.00 0.00 C ATOM 0 H ALA A 105 -2.262 9.129 5.734 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.664 7.384 7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.202 6.736 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -0.984 6.880 6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.070 8.185 6.612 1.00 0.00 H new ATOM 626 N ALA A 106 -0.728 9.914 8.831 1.00 0.00 N ATOM 627 CA ALA A 106 -0.272 10.601 10.057 1.00 0.00 C ATOM 628 C ALA A 106 -1.335 10.777 11.188 1.00 0.00 C ATOM 629 O ALA A 106 -1.038 10.547 12.364 1.00 0.00 O ATOM 630 CB ALA A 106 0.418 11.914 9.671 1.00 0.00 C ATOM 0 H ALA A 106 -0.556 10.435 7.971 1.00 0.00 H new ATOM 0 HA ALA A 106 0.444 9.931 10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.757 12.426 10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.274 11.701 9.031 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.286 12.551 9.135 1.00 0.00 H new ATOM 636 N GLN A 107 -2.580 11.113 10.804 1.00 0.00 N ATOM 637 CA GLN A 107 -3.742 11.212 11.721 1.00 0.00 C ATOM 638 C GLN A 107 -4.262 9.839 12.250 1.00 0.00 C ATOM 639 O GLN A 107 -4.434 9.683 13.463 1.00 0.00 O ATOM 640 CB GLN A 107 -4.806 12.166 11.067 1.00 0.00 C ATOM 641 CG GLN A 107 -6.226 11.658 10.665 1.00 0.00 C ATOM 642 CD GLN A 107 -6.549 11.651 9.160 1.00 0.00 C ATOM 643 OE1 GLN A 107 -6.325 12.634 8.454 1.00 0.00 O ATOM 644 NE2 GLN A 107 -7.124 10.574 8.644 1.00 0.00 N ATOM 0 H GLN A 107 -2.816 11.327 9.835 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.435 11.671 12.661 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.952 12.997 11.757 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.351 12.576 10.166 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.346 10.644 11.045 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.967 12.278 11.171 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.307 9.762 9.233 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.383 10.557 7.658 1.00 0.00 H new ATOM 653 N ASP A 108 -4.566 8.884 11.350 1.00 0.00 N ATOM 654 CA ASP A 108 -5.310 7.643 11.710 1.00 0.00 C ATOM 655 C ASP A 108 -4.418 6.402 12.037 1.00 0.00 C ATOM 656 O ASP A 108 -4.868 5.533 12.788 1.00 0.00 O ATOM 657 CB ASP A 108 -6.300 7.321 10.569 1.00 0.00 C ATOM 658 CG ASP A 108 -7.530 6.482 10.937 1.00 0.00 C ATOM 659 OD1 ASP A 108 -8.395 6.989 11.681 1.00 0.00 O ATOM 660 OD2 ASP A 108 -7.641 5.322 10.482 1.00 0.00 O ATOM 0 H ASP A 108 -4.311 8.941 10.364 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.830 7.850 12.645 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.646 8.263 10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.755 6.798 9.783 1.00 0.00 H new ATOM 769 N ASP A 115 4.076 -3.089 4.535 1.00 0.00 N ATOM 770 CA ASP A 115 2.916 -3.960 4.711 1.00 0.00 C ATOM 771 C ASP A 115 2.541 -4.289 3.260 1.00 0.00 C ATOM 772 O ASP A 115 2.222 -3.404 2.452 1.00 0.00 O ATOM 773 CB ASP A 115 1.739 -3.342 5.500 1.00 0.00 C ATOM 774 CG ASP A 115 1.819 -3.272 7.030 1.00 0.00 C ATOM 775 OD1 ASP A 115 2.924 -3.386 7.600 1.00 0.00 O ATOM 776 OD2 ASP A 115 0.770 -3.063 7.677 1.00 0.00 O ATOM 0 HA ASP A 115 3.151 -4.827 5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.595 -2.326 5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 115 0.841 -3.904 5.244 1.00 0.00 H new ATOM 781 N SER A 116 2.621 -5.593 2.964 1.00 0.00 N ATOM 782 CA SER A 116 2.506 -6.125 1.589 1.00 0.00 C ATOM 783 C SER A 116 1.035 -6.063 1.113 1.00 0.00 C ATOM 784 O SER A 116 0.280 -7.027 1.254 1.00 0.00 O ATOM 785 CB SER A 116 3.032 -7.582 1.555 1.00 0.00 C ATOM 786 OG SER A 116 4.306 -7.742 2.165 1.00 0.00 O ATOM 0 H SER A 116 2.768 -6.315 3.669 1.00 0.00 H new ATOM 0 HA SER A 116 3.107 -5.516 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.314 -8.230 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.091 -7.914 0.518 1.00 0.00 H new ATOM 0 HG SER A 116 4.959 -7.168 1.713 1.00 0.00 H new ATOM 792 N ILE A 117 0.636 -4.910 0.544 1.00 0.00 N ATOM 793 CA ILE A 117 -0.754 -4.656 0.092 1.00 0.00 C ATOM 794 C ILE A 117 -1.131 -5.640 -1.045 1.00 0.00 C ATOM 795 O ILE A 117 -0.539 -5.649 -2.128 1.00 0.00 O ATOM 796 CB ILE A 117 -1.018 -3.141 -0.231 1.00 0.00 C ATOM 797 CG1 ILE A 117 -2.484 -2.835 -0.653 1.00 0.00 C ATOM 798 CG2 ILE A 117 -0.083 -2.575 -1.310 1.00 0.00 C ATOM 799 CD1 ILE A 117 -3.471 -2.880 0.509 1.00 0.00 C ATOM 0 H ILE A 117 1.266 -4.124 0.382 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.437 -4.861 0.916 1.00 0.00 H new ATOM 0 HB ILE A 117 -0.813 -2.648 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -2.523 -1.848 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -2.794 -3.554 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -0.321 -1.525 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 117 0.951 -2.663 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -0.215 -3.134 -2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.474 -2.657 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -3.460 -3.874 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -3.185 -2.141 1.258 1.00 0.00 H new ATOM 811 N LEU A 118 -2.122 -6.465 -0.707 1.00 0.00 N ATOM 812 CA LEU A 118 -2.765 -7.419 -1.628 1.00 0.00 C ATOM 813 C LEU A 118 -4.065 -6.901 -2.255 1.00 0.00 C ATOM 814 O LEU A 118 -4.251 -7.045 -3.466 1.00 0.00 O ATOM 815 CB LEU A 118 -2.882 -8.834 -0.998 1.00 0.00 C ATOM 816 CG LEU A 118 -3.436 -9.027 0.444 1.00 0.00 C ATOM 817 CD1 LEU A 118 -4.958 -9.038 0.629 1.00 0.00 C ATOM 818 CD2 LEU A 118 -2.941 -10.352 0.995 1.00 0.00 C ATOM 0 H LEU A 118 -2.513 -6.494 0.235 1.00 0.00 H new ATOM 0 HA LEU A 118 -2.096 -7.521 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.509 -9.428 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.886 -9.276 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.072 -8.140 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -5.195 -9.181 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.373 -8.089 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -5.389 -9.852 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.326 -10.493 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.290 -11.164 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -1.851 -10.352 1.019 1.00 0.00 H new ATOM 830 N PHE A 119 -4.961 -6.353 -1.431 1.00 0.00 N ATOM 831 CA PHE A 119 -6.292 -5.905 -1.855 1.00 0.00 C ATOM 832 C PHE A 119 -6.504 -4.537 -1.205 1.00 0.00 C ATOM 833 O PHE A 119 -6.380 -4.362 0.007 1.00 0.00 O ATOM 834 CB PHE A 119 -7.436 -6.872 -1.455 1.00 0.00 C ATOM 835 CG PHE A 119 -7.618 -8.086 -2.376 1.00 0.00 C ATOM 836 CD1 PHE A 119 -6.676 -9.120 -2.423 1.00 0.00 C ATOM 837 CD2 PHE A 119 -8.758 -8.173 -3.170 1.00 0.00 C ATOM 838 CE1 PHE A 119 -6.885 -10.232 -3.228 1.00 0.00 C ATOM 839 CE2 PHE A 119 -8.968 -9.280 -3.987 1.00 0.00 C ATOM 840 CZ PHE A 119 -8.034 -10.316 -4.002 1.00 0.00 C ATOM 0 H PHE A 119 -4.782 -6.206 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 119 -6.327 -5.866 -2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -7.251 -7.229 -0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -8.371 -6.312 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -5.778 -9.052 -1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -9.485 -7.375 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -6.156 -11.029 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -9.851 -9.337 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 119 -8.206 -11.186 -4.618 1.00 0.00 H new ATOM 850 N VAL A 120 -6.872 -3.584 -2.050 1.00 0.00 N ATOM 851 CA VAL A 120 -7.282 -2.232 -1.619 1.00 0.00 C ATOM 852 C VAL A 120 -8.719 -2.044 -2.165 1.00 0.00 C ATOM 853 O VAL A 120 -8.928 -2.144 -3.381 1.00 0.00 O ATOM 854 CB VAL A 120 -6.258 -1.137 -2.035 1.00 0.00 C ATOM 855 CG1 VAL A 120 -5.940 -1.129 -3.547 1.00 0.00 C ATOM 856 CG2 VAL A 120 -6.756 0.240 -1.534 1.00 0.00 C ATOM 0 H VAL A 120 -6.899 -3.716 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 120 -7.291 -2.125 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.306 -1.372 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -5.220 -0.340 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -5.520 -2.093 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.855 -0.949 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -6.043 1.012 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -7.727 0.459 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.850 0.220 -0.448 1.00 0.00 H new ATOM 866 N ASN A 121 -9.690 -1.770 -1.266 1.00 0.00 N ATOM 867 CA ASN A 121 -11.152 -1.698 -1.607 1.00 0.00 C ATOM 868 C ASN A 121 -11.783 -3.111 -1.712 1.00 0.00 C ATOM 869 O ASN A 121 -12.672 -3.503 -0.955 1.00 0.00 O ATOM 870 CB ASN A 121 -11.531 -0.764 -2.800 1.00 0.00 C ATOM 871 CG ASN A 121 -11.118 0.681 -2.556 1.00 0.00 C ATOM 872 OD1 ASN A 121 -11.856 1.439 -1.933 1.00 0.00 O ATOM 873 ND2 ASN A 121 -9.909 1.030 -2.962 1.00 0.00 N ATOM 0 H ASN A 121 -9.496 -1.591 -0.281 1.00 0.00 H new ATOM 0 HA ASN A 121 -11.607 -1.190 -0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.053 -1.128 -3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.607 -0.809 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -9.553 1.964 -2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -9.332 0.365 -3.477 1.00 0.00 H new ATOM 880 N GLU A 122 -11.278 -3.812 -2.725 1.00 0.00 N ATOM 881 CA GLU A 122 -11.831 -5.019 -3.371 1.00 0.00 C ATOM 882 C GLU A 122 -10.928 -5.446 -4.586 1.00 0.00 C ATOM 883 O GLU A 122 -10.964 -6.616 -4.976 1.00 0.00 O ATOM 884 CB GLU A 122 -13.295 -4.831 -3.853 1.00 0.00 C ATOM 885 CG GLU A 122 -13.529 -3.762 -4.960 1.00 0.00 C ATOM 886 CD GLU A 122 -14.112 -4.354 -6.243 1.00 0.00 C ATOM 887 OE1 GLU A 122 -15.310 -4.714 -6.246 1.00 0.00 O ATOM 888 OE2 GLU A 122 -13.375 -4.480 -7.245 1.00 0.00 O ATOM 0 H GLU A 122 -10.397 -3.534 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 122 -11.838 -5.802 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -13.659 -5.790 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -13.907 -4.569 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -14.204 -2.995 -4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -12.584 -3.270 -5.189 1.00 0.00 H new ATOM 895 N VAL A 123 -10.169 -4.505 -5.211 1.00 0.00 N ATOM 896 CA VAL A 123 -9.262 -4.762 -6.347 1.00 0.00 C ATOM 897 C VAL A 123 -8.043 -5.581 -5.857 1.00 0.00 C ATOM 898 O VAL A 123 -7.407 -5.263 -4.852 1.00 0.00 O ATOM 899 CB VAL A 123 -8.897 -3.391 -7.036 1.00 0.00 C ATOM 900 CG1 VAL A 123 -7.499 -3.317 -7.683 1.00 0.00 C ATOM 901 CG2 VAL A 123 -9.944 -3.026 -8.104 1.00 0.00 C ATOM 0 H VAL A 123 -10.176 -3.526 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 123 -9.740 -5.370 -7.115 1.00 0.00 H new ATOM 0 HB VAL A 123 -8.891 -2.679 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -7.355 -2.332 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -6.737 -3.488 -6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -7.416 -4.079 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -9.675 -2.077 -8.568 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -9.975 -3.806 -8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -10.925 -2.936 -7.636 1.00 0.00 H new ATOM 911 N ASP A 124 -7.719 -6.582 -6.676 1.00 0.00 N ATOM 912 CA ASP A 124 -6.558 -7.469 -6.480 1.00 0.00 C ATOM 913 C ASP A 124 -5.306 -6.854 -7.156 1.00 0.00 C ATOM 914 O ASP A 124 -5.103 -6.942 -8.372 1.00 0.00 O ATOM 915 CB ASP A 124 -6.919 -8.888 -6.992 1.00 0.00 C ATOM 916 CG ASP A 124 -7.212 -9.068 -8.492 1.00 0.00 C ATOM 917 OD1 ASP A 124 -8.282 -8.615 -8.958 1.00 0.00 O ATOM 918 OD2 ASP A 124 -6.362 -9.639 -9.208 1.00 0.00 O ATOM 0 H ASP A 124 -8.261 -6.808 -7.510 1.00 0.00 H new ATOM 0 HA ASP A 124 -6.308 -7.567 -5.424 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -6.097 -9.555 -6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -7.794 -9.229 -6.439 1.00 0.00 H new ATOM 923 N VAL A 125 -4.478 -6.227 -6.321 1.00 0.00 N ATOM 924 CA VAL A 125 -3.169 -5.660 -6.725 1.00 0.00 C ATOM 925 C VAL A 125 -2.084 -6.723 -6.422 1.00 0.00 C ATOM 926 O VAL A 125 -2.181 -7.805 -7.009 1.00 0.00 O ATOM 927 CB VAL A 125 -2.993 -4.216 -6.140 1.00 0.00 C ATOM 928 CG1 VAL A 125 -3.809 -3.211 -6.970 1.00 0.00 C ATOM 929 CG2 VAL A 125 -3.295 -4.054 -4.630 1.00 0.00 C ATOM 0 H VAL A 125 -4.689 -6.091 -5.332 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.080 -5.472 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 125 -1.926 -4.009 -6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.682 -2.210 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -3.461 -3.225 -8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.864 -3.485 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.140 -3.016 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -4.329 -4.336 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.628 -4.697 -4.055 1.00 0.00 H new ATOM 939 N ARG A 126 -1.082 -6.426 -5.560 1.00 0.00 N ATOM 940 CA ARG A 126 0.096 -7.296 -5.261 1.00 0.00 C ATOM 941 C ARG A 126 0.951 -7.718 -6.493 1.00 0.00 C ATOM 942 O ARG A 126 1.994 -7.128 -6.791 1.00 0.00 O ATOM 943 CB ARG A 126 -0.133 -8.375 -4.166 1.00 0.00 C ATOM 944 CG ARG A 126 -1.383 -9.285 -4.243 1.00 0.00 C ATOM 945 CD ARG A 126 -1.188 -10.564 -5.050 1.00 0.00 C ATOM 946 NE ARG A 126 -2.374 -11.440 -4.966 1.00 0.00 N ATOM 947 CZ ARG A 126 -2.993 -11.989 -6.030 1.00 0.00 C ATOM 948 NH1 ARG A 126 -2.675 -11.732 -7.298 1.00 0.00 N ATOM 949 NH2 ARG A 126 -3.972 -12.834 -5.798 1.00 0.00 N ATOM 0 H ARG A 126 -1.064 -5.551 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 126 0.781 -6.617 -4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.743 -9.023 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.160 -7.864 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -1.685 -9.552 -3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.204 -8.717 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.993 -10.312 -6.092 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.312 -11.098 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.750 -11.643 -4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.919 -11.082 -7.512 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.188 -12.185 -8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.239 -13.054 -4.839 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.465 -13.270 -6.577 1.00 0.00 H new ATOM 963 N GLU A 127 0.430 -8.710 -7.220 1.00 0.00 N ATOM 964 CA GLU A 127 0.885 -9.151 -8.553 1.00 0.00 C ATOM 965 C GLU A 127 0.340 -8.216 -9.675 1.00 0.00 C ATOM 966 O GLU A 127 -0.483 -8.570 -10.527 1.00 0.00 O ATOM 967 CB GLU A 127 0.339 -10.591 -8.708 1.00 0.00 C ATOM 968 CG GLU A 127 0.973 -11.364 -9.875 1.00 0.00 C ATOM 969 CD GLU A 127 0.225 -12.663 -10.158 1.00 0.00 C ATOM 970 OE1 GLU A 127 -0.763 -12.634 -10.924 1.00 0.00 O ATOM 971 OE2 GLU A 127 0.612 -13.716 -9.605 1.00 0.00 O ATOM 0 H GLU A 127 -0.361 -9.259 -6.883 1.00 0.00 H new ATOM 0 HA GLU A 127 1.971 -9.117 -8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.514 -11.139 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.740 -10.548 -8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.972 -10.740 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.014 -11.586 -9.642 1.00 0.00 H new ATOM 978 N VAL A 128 0.844 -6.990 -9.633 1.00 0.00 N ATOM 979 CA VAL A 128 0.456 -5.897 -10.532 1.00 0.00 C ATOM 980 C VAL A 128 1.683 -4.949 -10.593 1.00 0.00 C ATOM 981 O VAL A 128 2.562 -4.930 -9.727 1.00 0.00 O ATOM 982 CB VAL A 128 -0.862 -5.220 -10.014 1.00 0.00 C ATOM 983 CG1 VAL A 128 -0.659 -4.369 -8.741 1.00 0.00 C ATOM 984 CG2 VAL A 128 -1.561 -4.401 -11.111 1.00 0.00 C ATOM 0 H VAL A 128 1.555 -6.715 -8.955 1.00 0.00 H new ATOM 0 HA VAL A 128 0.215 -6.229 -11.542 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.516 -6.046 -9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.611 -3.932 -8.440 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.280 -5.001 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 128 0.057 -3.573 -8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.468 -3.951 -10.707 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.891 -3.616 -11.461 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.820 -5.055 -11.944 1.00 0.00 H new ATOM 994 N THR A 129 1.623 -4.030 -11.551 1.00 0.00 N ATOM 995 CA THR A 129 2.405 -2.774 -11.502 1.00 0.00 C ATOM 996 C THR A 129 1.942 -1.899 -10.295 1.00 0.00 C ATOM 997 O THR A 129 0.742 -1.679 -10.100 1.00 0.00 O ATOM 998 CB THR A 129 2.184 -2.027 -12.847 1.00 0.00 C ATOM 999 OG1 THR A 129 2.442 -2.882 -13.960 1.00 0.00 O ATOM 1000 CG2 THR A 129 3.081 -0.790 -12.987 1.00 0.00 C ATOM 0 H THR A 129 1.039 -4.122 -12.382 1.00 0.00 H new ATOM 0 HA THR A 129 3.465 -2.985 -11.365 1.00 0.00 H new ATOM 0 HB THR A 129 1.140 -1.712 -12.840 1.00 0.00 H new ATOM 0 HG1 THR A 129 2.294 -2.388 -14.793 1.00 0.00 H new ATOM 0 HG21 THR A 129 2.886 -0.306 -13.944 1.00 0.00 H new ATOM 0 HG22 THR A 129 2.868 -0.092 -12.177 1.00 0.00 H new ATOM 0 HG23 THR A 129 4.127 -1.092 -12.939 1.00 0.00 H new ATOM 1008 N HIS A 130 2.905 -1.361 -9.532 1.00 0.00 N ATOM 1009 CA HIS A 130 2.637 -0.331 -8.475 1.00 0.00 C ATOM 1010 C HIS A 130 1.760 0.891 -8.836 1.00 0.00 C ATOM 1011 O HIS A 130 1.043 1.405 -7.984 1.00 0.00 O ATOM 1012 CB HIS A 130 3.980 0.096 -7.825 1.00 0.00 C ATOM 1013 CG HIS A 130 4.830 1.126 -8.582 1.00 0.00 C ATOM 1014 ND1 HIS A 130 5.201 1.024 -9.919 1.00 0.00 N ATOM 1015 CD2 HIS A 130 5.035 2.434 -8.126 1.00 0.00 C ATOM 1016 CE1 HIS A 130 5.546 2.322 -10.167 1.00 0.00 C ATOM 1017 NE2 HIS A 130 5.540 3.222 -9.144 1.00 0.00 N ATOM 0 H HIS A 130 3.889 -1.614 -9.616 1.00 0.00 H new ATOM 0 HA HIS A 130 1.987 -0.846 -7.768 1.00 0.00 H new ATOM 0 HB2 HIS A 130 3.763 0.499 -6.836 1.00 0.00 H new ATOM 0 HB3 HIS A 130 4.584 -0.799 -7.679 1.00 0.00 H new ATOM 0 HD2 HIS A 130 4.828 2.778 -7.123 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.821 2.632 -11.164 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.827 4.201 -9.132 1.00 0.00 H new ATOM 1026 N SER A 131 1.827 1.314 -10.097 1.00 0.00 N ATOM 1027 CA SER A 131 0.947 2.339 -10.685 1.00 0.00 C ATOM 1028 C SER A 131 -0.578 1.996 -10.686 1.00 0.00 C ATOM 1029 O SER A 131 -1.388 2.884 -10.430 1.00 0.00 O ATOM 1030 CB SER A 131 1.434 2.650 -12.109 1.00 0.00 C ATOM 1031 OG SER A 131 2.847 2.847 -12.167 1.00 0.00 O ATOM 0 H SER A 131 2.510 0.948 -10.760 1.00 0.00 H new ATOM 0 HA SER A 131 1.022 3.213 -10.038 1.00 0.00 H new ATOM 0 HB2 SER A 131 1.156 1.831 -12.773 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.929 3.544 -12.476 1.00 0.00 H new ATOM 0 HG SER A 131 3.113 3.040 -13.090 1.00 0.00 H new ATOM 1037 N ALA A 132 -0.966 0.729 -10.939 1.00 0.00 N ATOM 1038 CA ALA A 132 -2.346 0.236 -10.679 1.00 0.00 C ATOM 1039 C ALA A 132 -2.753 0.154 -9.183 1.00 0.00 C ATOM 1040 O ALA A 132 -3.906 0.443 -8.856 1.00 0.00 O ATOM 1041 CB ALA A 132 -2.471 -1.173 -11.263 1.00 0.00 C ATOM 0 H ALA A 132 -0.343 0.020 -11.326 1.00 0.00 H new ATOM 0 HA ALA A 132 -3.009 0.966 -11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -3.476 -1.554 -11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -2.282 -1.140 -12.336 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -1.744 -1.830 -10.786 1.00 0.00 H new ATOM 1047 N ALA A 133 -1.821 -0.246 -8.293 1.00 0.00 N ATOM 1048 CA ALA A 133 -2.021 -0.175 -6.833 1.00 0.00 C ATOM 1049 C ALA A 133 -2.183 1.223 -6.260 1.00 0.00 C ATOM 1050 O ALA A 133 -3.204 1.470 -5.624 1.00 0.00 O ATOM 1051 CB ALA A 133 -0.924 -0.951 -6.122 1.00 0.00 C ATOM 0 H ALA A 133 -0.914 -0.625 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 133 -2.989 -0.641 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -1.078 -0.894 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -0.952 -1.994 -6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.046 -0.522 -6.373 1.00 0.00 H new ATOM 1057 N VAL A 134 -1.258 2.143 -6.553 1.00 0.00 N ATOM 1058 CA VAL A 134 -1.452 3.572 -6.245 1.00 0.00 C ATOM 1059 C VAL A 134 -2.750 4.209 -6.824 1.00 0.00 C ATOM 1060 O VAL A 134 -3.379 5.012 -6.141 1.00 0.00 O ATOM 1061 CB VAL A 134 -0.197 4.428 -6.558 1.00 0.00 C ATOM 1062 CG1 VAL A 134 -0.003 4.796 -8.038 1.00 0.00 C ATOM 1063 CG2 VAL A 134 -0.248 5.628 -5.621 1.00 0.00 C ATOM 0 H VAL A 134 -0.368 1.929 -7.002 1.00 0.00 H new ATOM 0 HA VAL A 134 -1.600 3.583 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 134 0.699 3.834 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 134 0.902 5.394 -8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 134 0.089 3.886 -8.630 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -0.862 5.370 -8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 134 0.617 6.267 -5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -1.161 6.194 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -0.236 5.283 -4.587 1.00 0.00 H new ATOM 1073 N GLU A 135 -3.126 3.855 -8.064 1.00 0.00 N ATOM 1074 CA GLU A 135 -4.410 4.279 -8.648 1.00 0.00 C ATOM 1075 C GLU A 135 -5.655 3.711 -7.923 1.00 0.00 C ATOM 1076 O GLU A 135 -6.598 4.470 -7.761 1.00 0.00 O ATOM 1077 CB GLU A 135 -4.443 3.943 -10.156 1.00 0.00 C ATOM 1078 CG GLU A 135 -5.515 4.726 -10.940 1.00 0.00 C ATOM 1079 CD GLU A 135 -5.191 6.223 -11.049 1.00 0.00 C ATOM 1080 OE1 GLU A 135 -4.220 6.581 -11.752 1.00 0.00 O ATOM 1081 OE2 GLU A 135 -5.885 7.042 -10.406 1.00 0.00 O ATOM 0 H GLU A 135 -2.558 3.275 -8.682 1.00 0.00 H new ATOM 0 HA GLU A 135 -4.468 5.359 -8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -3.464 4.152 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.624 2.875 -10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -5.608 4.304 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -6.481 4.602 -10.451 1.00 0.00 H new ATOM 1088 N ALA A 136 -5.658 2.436 -7.494 1.00 0.00 N ATOM 1089 CA ALA A 136 -6.681 1.885 -6.569 1.00 0.00 C ATOM 1090 C ALA A 136 -6.666 2.432 -5.106 1.00 0.00 C ATOM 1091 O ALA A 136 -7.726 2.578 -4.504 1.00 0.00 O ATOM 1092 CB ALA A 136 -6.541 0.359 -6.585 1.00 0.00 C ATOM 0 H ALA A 136 -4.954 1.754 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 136 -7.649 2.221 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.279 -0.081 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.704 -0.011 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -5.540 0.082 -6.254 1.00 0.00 H new ATOM 1098 N LEU A 137 -5.487 2.771 -4.557 1.00 0.00 N ATOM 1099 CA LEU A 137 -5.309 3.667 -3.379 1.00 0.00 C ATOM 1100 C LEU A 137 -5.998 5.064 -3.539 1.00 0.00 C ATOM 1101 O LEU A 137 -6.746 5.486 -2.657 1.00 0.00 O ATOM 1102 CB LEU A 137 -3.768 3.781 -3.136 1.00 0.00 C ATOM 1103 CG LEU A 137 -3.088 2.804 -2.136 1.00 0.00 C ATOM 1104 CD1 LEU A 137 -3.257 1.317 -2.465 1.00 0.00 C ATOM 1105 CD2 LEU A 137 -1.573 3.045 -2.078 1.00 0.00 C ATOM 0 H LEU A 137 -4.600 2.425 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 137 -5.810 3.238 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.273 3.662 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -3.563 4.796 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 137 -3.593 3.017 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.748 0.717 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -4.317 1.065 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.826 1.110 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -1.121 2.349 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -1.142 2.890 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -1.379 4.068 -1.754 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.784 5.760 -4.665 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.546 6.983 -5.047 1.00 0.00 C ATOM 1119 C LYS A 138 -8.051 6.734 -5.354 1.00 0.00 C ATOM 1120 O LYS A 138 -8.905 7.511 -4.937 1.00 0.00 O ATOM 1121 CB LYS A 138 -5.891 7.636 -6.286 1.00 0.00 C ATOM 1122 CG LYS A 138 -4.443 8.114 -6.093 1.00 0.00 C ATOM 1123 CD LYS A 138 -3.809 8.542 -7.430 1.00 0.00 C ATOM 1124 CE LYS A 138 -2.343 8.977 -7.310 1.00 0.00 C ATOM 1125 NZ LYS A 138 -2.194 10.195 -6.488 1.00 0.00 N ATOM 0 H LYS A 138 -5.074 5.497 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 138 -6.508 7.638 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -5.912 6.919 -7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -6.499 8.488 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -4.425 8.951 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -3.851 7.315 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -3.876 7.713 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -4.389 9.364 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -1.760 8.168 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -1.936 9.159 -8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -1.189 10.455 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -2.730 10.974 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -2.559 10.015 -5.531 1.00 0.00 H new ATOM 1139 N GLU A 139 -8.394 5.651 -6.063 1.00 0.00 N ATOM 1140 CA GLU A 139 -9.799 5.221 -6.273 1.00 0.00 C ATOM 1141 C GLU A 139 -10.582 4.771 -5.008 1.00 0.00 C ATOM 1142 O GLU A 139 -11.816 4.767 -5.021 1.00 0.00 O ATOM 1143 CB GLU A 139 -9.818 4.099 -7.341 1.00 0.00 C ATOM 1144 CG GLU A 139 -11.171 3.901 -8.050 1.00 0.00 C ATOM 1145 CD GLU A 139 -11.547 5.086 -8.947 1.00 0.00 C ATOM 1146 OE1 GLU A 139 -12.167 6.051 -8.447 1.00 0.00 O ATOM 1147 OE2 GLU A 139 -11.201 5.066 -10.148 1.00 0.00 O ATOM 0 H GLU A 139 -7.710 5.041 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.330 6.114 -6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.060 4.320 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.533 3.160 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -11.132 2.993 -8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.951 3.755 -7.302 1.00 0.00 H new ATOM 1154 N ALA A 140 -9.876 4.454 -3.915 1.00 0.00 N ATOM 1155 CA ALA A 140 -10.470 4.343 -2.580 1.00 0.00 C ATOM 1156 C ALA A 140 -11.308 5.531 -2.070 1.00 0.00 C ATOM 1157 O ALA A 140 -12.384 5.318 -1.505 1.00 0.00 O ATOM 1158 CB ALA A 140 -9.320 4.057 -1.631 1.00 0.00 C ATOM 0 H ALA A 140 -8.873 4.267 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 140 -11.216 3.550 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.702 3.963 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -8.831 3.127 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.601 4.875 -1.674 1.00 0.00 H new ATOM 1164 N GLY A 141 -10.828 6.757 -2.313 1.00 0.00 N ATOM 1165 CA GLY A 141 -11.685 7.945 -2.294 1.00 0.00 C ATOM 1166 C GLY A 141 -12.169 8.362 -0.909 1.00 0.00 C ATOM 1167 O GLY A 141 -13.341 8.144 -0.606 1.00 0.00 O ATOM 0 H GLY A 141 -9.849 6.950 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -11.139 8.777 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -12.553 7.760 -2.926 1.00 0.00 H new ATOM 1171 N SER A 142 -11.273 8.911 -0.074 1.00 0.00 N ATOM 1172 CA SER A 142 -11.577 9.225 1.359 1.00 0.00 C ATOM 1173 C SER A 142 -11.797 8.019 2.347 1.00 0.00 C ATOM 1174 O SER A 142 -11.937 8.254 3.549 1.00 0.00 O ATOM 1175 CB SER A 142 -12.660 10.312 1.508 1.00 0.00 C ATOM 1176 OG SER A 142 -12.435 11.398 0.615 1.00 0.00 O ATOM 0 H SER A 142 -10.323 9.153 -0.355 1.00 0.00 H new ATOM 0 HA SER A 142 -10.625 9.628 1.705 1.00 0.00 H new ATOM 0 HB2 SER A 142 -13.641 9.878 1.315 1.00 0.00 H new ATOM 0 HB3 SER A 142 -12.670 10.679 2.534 1.00 0.00 H new ATOM 0 HG SER A 142 -13.139 12.069 0.733 1.00 0.00 H new ATOM 1182 N ILE A 143 -11.768 6.757 1.863 1.00 0.00 N ATOM 1183 CA ILE A 143 -11.776 5.520 2.682 1.00 0.00 C ATOM 1184 C ILE A 143 -10.959 4.452 1.896 1.00 0.00 C ATOM 1185 O ILE A 143 -11.460 3.833 0.953 1.00 0.00 O ATOM 1186 CB ILE A 143 -13.207 4.992 3.054 1.00 0.00 C ATOM 1187 CG1 ILE A 143 -14.253 4.952 1.889 1.00 0.00 C ATOM 1188 CG2 ILE A 143 -13.750 5.666 4.333 1.00 0.00 C ATOM 1189 CD1 ILE A 143 -14.991 6.262 1.562 1.00 0.00 C ATOM 0 H ILE A 143 -11.737 6.563 0.862 1.00 0.00 H new ATOM 0 HA ILE A 143 -11.326 5.742 3.649 1.00 0.00 H new ATOM 0 HB ILE A 143 -13.054 3.935 3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 143 -13.741 4.618 0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 143 -14.999 4.195 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 143 -14.742 5.274 4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 143 -13.080 5.457 5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 143 -13.812 6.743 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -15.684 6.093 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -15.545 6.596 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 143 -14.267 7.026 1.277 1.00 0.00 H new ATOM 1201 N VAL A 144 -9.712 4.207 2.330 1.00 0.00 N ATOM 1202 CA VAL A 144 -8.881 3.059 1.873 1.00 0.00 C ATOM 1203 C VAL A 144 -9.225 1.819 2.713 1.00 0.00 C ATOM 1204 O VAL A 144 -9.085 1.844 3.934 1.00 0.00 O ATOM 1205 CB VAL A 144 -7.348 3.350 1.835 1.00 0.00 C ATOM 1206 CG1 VAL A 144 -6.972 4.465 0.849 1.00 0.00 C ATOM 1207 CG2 VAL A 144 -6.687 3.649 3.190 1.00 0.00 C ATOM 0 H VAL A 144 -9.240 4.799 3.013 1.00 0.00 H new ATOM 0 HA VAL A 144 -9.133 2.870 0.830 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.949 2.395 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -5.893 4.620 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -7.279 4.180 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -7.476 5.388 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -5.623 3.836 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.151 4.529 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.817 2.795 3.855 1.00 0.00 H new ATOM 1217 N ARG A 145 -9.646 0.740 2.046 1.00 0.00 N ATOM 1218 CA ARG A 145 -9.830 -0.575 2.707 1.00 0.00 C ATOM 1219 C ARG A 145 -8.619 -1.454 2.350 1.00 0.00 C ATOM 1220 O ARG A 145 -8.624 -2.217 1.383 1.00 0.00 O ATOM 1221 CB ARG A 145 -11.115 -1.264 2.239 1.00 0.00 C ATOM 1222 CG ARG A 145 -12.418 -0.508 2.511 1.00 0.00 C ATOM 1223 CD ARG A 145 -13.583 -1.336 1.970 1.00 0.00 C ATOM 1224 NE ARG A 145 -14.866 -0.695 2.330 1.00 0.00 N ATOM 1225 CZ ARG A 145 -15.907 -1.339 2.883 1.00 0.00 C ATOM 1226 NH1 ARG A 145 -15.918 -2.645 3.147 1.00 0.00 N ATOM 1227 NH2 ARG A 145 -16.979 -0.633 3.181 1.00 0.00 N ATOM 0 H ARG A 145 -9.868 0.741 1.050 1.00 0.00 H new ATOM 0 HA ARG A 145 -9.909 -0.427 3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -11.038 -1.442 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -11.177 -2.240 2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -12.540 -0.337 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -12.395 0.471 2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -13.503 -1.427 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -13.544 -2.346 2.379 1.00 0.00 H new ATOM 0 HE ARG A 145 -14.967 0.303 2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -15.102 -3.217 2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -16.742 -3.073 3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -16.999 0.369 2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -17.789 -1.088 3.602 1.00 0.00 H new ATOM 1241 N LEU A 146 -7.568 -1.333 3.148 1.00 0.00 N ATOM 1242 CA LEU A 146 -6.272 -1.971 2.854 1.00 0.00 C ATOM 1243 C LEU A 146 -6.247 -3.357 3.537 1.00 0.00 C ATOM 1244 O LEU A 146 -6.670 -3.539 4.680 1.00 0.00 O ATOM 1245 CB LEU A 146 -5.116 -1.067 3.341 1.00 0.00 C ATOM 1246 CG LEU A 146 -5.025 0.381 2.827 1.00 0.00 C ATOM 1247 CD1 LEU A 146 -3.966 1.137 3.633 1.00 0.00 C ATOM 1248 CD2 LEU A 146 -4.751 0.464 1.323 1.00 0.00 C ATOM 0 H LEU A 146 -7.578 -0.795 4.015 1.00 0.00 H new ATOM 0 HA LEU A 146 -6.143 -2.106 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.168 -1.026 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -4.181 -1.565 3.085 1.00 0.00 H new ATOM 0 HG LEU A 146 -5.997 0.851 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -3.898 2.163 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -4.245 1.140 4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.000 0.646 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -4.698 1.510 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -3.805 -0.028 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.555 -0.031 0.779 1.00 0.00 H new ATOM 1260 N TYR A 147 -5.756 -4.336 2.788 1.00 0.00 N ATOM 1261 CA TYR A 147 -5.616 -5.733 3.251 1.00 0.00 C ATOM 1262 C TYR A 147 -4.190 -6.126 2.848 1.00 0.00 C ATOM 1263 O TYR A 147 -3.848 -6.107 1.664 1.00 0.00 O ATOM 1264 CB TYR A 147 -6.626 -6.691 2.584 1.00 0.00 C ATOM 1265 CG TYR A 147 -8.098 -6.421 2.891 1.00 0.00 C ATOM 1266 CD1 TYR A 147 -8.645 -6.920 4.065 1.00 0.00 C ATOM 1267 CD2 TYR A 147 -8.878 -5.649 2.028 1.00 0.00 C ATOM 1268 CE1 TYR A 147 -9.975 -6.639 4.393 1.00 0.00 C ATOM 1269 CE2 TYR A 147 -10.206 -5.366 2.355 1.00 0.00 C ATOM 1270 CZ TYR A 147 -10.742 -5.855 3.538 1.00 0.00 C ATOM 1271 OH TYR A 147 -12.029 -5.529 3.891 1.00 0.00 O ATOM 0 H TYR A 147 -5.437 -4.193 1.830 1.00 0.00 H new ATOM 0 HA TYR A 147 -5.808 -5.805 4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -6.485 -6.644 1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -6.391 -7.710 2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -8.043 -7.526 4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -8.455 -5.271 1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -10.404 -7.028 5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -10.813 -4.769 1.690 1.00 0.00 H new ATOM 0 HH TYR A 147 -12.431 -4.976 3.189 1.00 0.00 H new ATOM 1281 N VAL A 148 -3.365 -6.445 3.843 1.00 0.00 N ATOM 1282 CA VAL A 148 -1.898 -6.581 3.661 1.00 0.00 C ATOM 1283 C VAL A 148 -1.469 -7.961 4.198 1.00 0.00 C ATOM 1284 O VAL A 148 -1.818 -8.297 5.325 1.00 0.00 O ATOM 1285 CB VAL A 148 -1.111 -5.431 4.371 1.00 0.00 C ATOM 1286 CG1 VAL A 148 -1.422 -4.026 3.810 1.00 0.00 C ATOM 1287 CG2 VAL A 148 -1.273 -5.400 5.914 1.00 0.00 C ATOM 0 H VAL A 148 -3.679 -6.618 4.798 1.00 0.00 H new ATOM 0 HA VAL A 148 -1.661 -6.503 2.600 1.00 0.00 H new ATOM 0 HB VAL A 148 -0.074 -5.680 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -0.839 -3.281 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -1.162 -3.991 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -2.484 -3.813 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -0.694 -4.572 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -2.325 -5.268 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.914 -6.338 6.337 1.00 0.00 H new ATOM 1297 N MET A 149 -0.660 -8.726 3.459 1.00 0.00 N ATOM 1298 CA MET A 149 -0.138 -10.022 3.955 1.00 0.00 C ATOM 1299 C MET A 149 1.231 -9.856 4.653 1.00 0.00 C ATOM 1300 O MET A 149 2.083 -9.036 4.300 1.00 0.00 O ATOM 1301 CB MET A 149 -0.173 -11.075 2.828 1.00 0.00 C ATOM 1302 CG MET A 149 0.342 -12.476 3.147 1.00 0.00 C ATOM 1303 SD MET A 149 0.279 -13.527 1.695 1.00 0.00 S ATOM 1304 CE MET A 149 1.145 -14.927 2.423 1.00 0.00 C ATOM 0 H MET A 149 -0.348 -8.480 2.519 1.00 0.00 H new ATOM 0 HA MET A 149 -0.791 -10.404 4.739 1.00 0.00 H new ATOM 0 HB2 MET A 149 -1.204 -11.167 2.487 1.00 0.00 H new ATOM 0 HB3 MET A 149 0.406 -10.688 1.990 1.00 0.00 H new ATOM 0 HG2 MET A 149 1.367 -12.416 3.514 1.00 0.00 H new ATOM 0 HG3 MET A 149 -0.257 -12.915 3.945 1.00 0.00 H new ATOM 0 HE1 MET A 149 1.228 -15.726 1.687 1.00 0.00 H new ATOM 0 HE2 MET A 149 2.142 -14.616 2.735 1.00 0.00 H new ATOM 0 HE3 MET A 149 0.590 -15.288 3.289 1.00 0.00 H new ATOM 1413 N TYR B 1 14.387 0.974 -9.614 1.00 0.00 N ATOM 1414 CA TYR B 1 13.046 1.059 -9.004 1.00 0.00 C ATOM 1415 C TYR B 1 12.567 2.536 -8.869 1.00 0.00 C ATOM 1416 O TYR B 1 13.352 3.490 -8.915 1.00 0.00 O ATOM 1417 CB TYR B 1 12.989 0.224 -7.679 1.00 0.00 C ATOM 1418 CG TYR B 1 13.229 0.990 -6.354 1.00 0.00 C ATOM 1419 CD1 TYR B 1 14.499 1.486 -6.080 1.00 0.00 C ATOM 1420 CD2 TYR B 1 12.160 1.289 -5.504 1.00 0.00 C ATOM 1421 CE1 TYR B 1 14.708 2.287 -4.949 1.00 0.00 C ATOM 1422 CE2 TYR B 1 12.373 2.077 -4.364 1.00 0.00 C ATOM 1423 CZ TYR B 1 13.644 2.566 -4.101 1.00 0.00 C ATOM 1424 OH TYR B 1 13.843 3.347 -2.984 1.00 0.00 O ATOM 0 H1 TYR B 1 14.351 0.352 -10.446 1.00 0.00 H new ATOM 0 H2 TYR B 1 14.697 1.923 -9.905 1.00 0.00 H new ATOM 0 H3 TYR B 1 15.060 0.587 -8.921 1.00 0.00 H new ATOM 0 HA TYR B 1 12.318 0.599 -9.672 1.00 0.00 H new ATOM 0 HB2 TYR B 1 12.011 -0.254 -7.622 1.00 0.00 H new ATOM 0 HB3 TYR B 1 13.730 -0.573 -7.749 1.00 0.00 H new ATOM 0 HD1 TYR B 1 15.323 1.254 -6.738 1.00 0.00 H new ATOM 0 HD2 TYR B 1 11.172 0.914 -5.725 1.00 0.00 H new ATOM 0 HE1 TYR B 1 15.690 2.685 -4.738 1.00 0.00 H new ATOM 0 HE2 TYR B 1 11.554 2.301 -3.696 1.00 0.00 H new ATOM 0 HH TYR B 1 12.997 3.446 -2.499 1.00 0.00 H new ATOM 1436 N LYS B 2 11.263 2.684 -8.596 1.00 0.00 N ATOM 1437 CA LYS B 2 10.632 3.983 -8.282 1.00 0.00 C ATOM 1438 C LYS B 2 9.611 3.811 -7.139 1.00 0.00 C ATOM 1439 O LYS B 2 8.806 2.874 -7.082 1.00 0.00 O ATOM 1440 CB LYS B 2 9.946 4.584 -9.532 1.00 0.00 C ATOM 1441 CG LYS B 2 10.975 5.161 -10.513 1.00 0.00 C ATOM 1442 CD LYS B 2 10.329 5.909 -11.691 1.00 0.00 C ATOM 1443 CE LYS B 2 11.292 6.869 -12.412 1.00 0.00 C ATOM 1444 NZ LYS B 2 11.791 7.940 -11.523 1.00 0.00 N ATOM 0 H LYS B 2 10.608 1.902 -8.586 1.00 0.00 H new ATOM 0 HA LYS B 2 11.411 4.675 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS B 2 9.357 3.814 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS B 2 9.253 5.368 -9.227 1.00 0.00 H new ATOM 0 HG2 LYS B 2 11.638 5.841 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS B 2 11.594 4.351 -10.900 1.00 0.00 H new ATOM 0 HD2 LYS B 2 9.949 5.182 -12.408 1.00 0.00 H new ATOM 0 HD3 LYS B 2 9.471 6.474 -11.326 1.00 0.00 H new ATOM 0 HE2 LYS B 2 12.137 6.304 -12.805 1.00 0.00 H new ATOM 0 HE3 LYS B 2 10.783 7.317 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 12.144 8.732 -12.098 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 11.018 8.273 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 12.563 7.570 -10.932 1.00 0.00 H new ATOM 1458 N LYS B 3 9.641 4.803 -6.246 1.00 0.00 N ATOM 1459 CA LYS B 3 8.655 4.941 -5.167 1.00 0.00 C ATOM 1460 C LYS B 3 7.651 6.057 -5.564 1.00 0.00 C ATOM 1461 O LYS B 3 8.032 7.207 -5.805 1.00 0.00 O ATOM 1462 CB LYS B 3 9.427 5.221 -3.863 1.00 0.00 C ATOM 1463 CG LYS B 3 8.515 5.478 -2.646 1.00 0.00 C ATOM 1464 CD LYS B 3 8.607 6.940 -2.193 1.00 0.00 C ATOM 1465 CE LYS B 3 9.777 7.156 -1.216 1.00 0.00 C ATOM 1466 NZ LYS B 3 9.789 8.521 -0.650 1.00 0.00 N ATOM 0 H LYS B 3 10.351 5.536 -6.249 1.00 0.00 H new ATOM 0 HA LYS B 3 8.066 4.038 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.077 4.373 -3.646 1.00 0.00 H new ATOM 0 HB3 LYS B 3 10.072 6.087 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS B 3 7.483 5.237 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS B 3 8.802 4.820 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS B 3 8.735 7.584 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS B 3 7.673 7.233 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS B 3 9.710 6.430 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS B 3 10.718 6.971 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 10.594 8.620 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 9.879 9.215 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.902 8.690 -0.133 1.00 0.00 H new ATOM 1478 N THR B 4 6.359 5.694 -5.567 1.00 0.00 N ATOM 1479 CA THR B 4 5.253 6.660 -5.765 1.00 0.00 C ATOM 1480 C THR B 4 4.763 7.161 -4.390 1.00 0.00 C ATOM 1481 O THR B 4 4.410 6.382 -3.508 1.00 0.00 O ATOM 1482 CB THR B 4 4.063 6.046 -6.537 1.00 0.00 C ATOM 1483 OG1 THR B 4 4.518 5.400 -7.705 1.00 0.00 O ATOM 1484 CG2 THR B 4 3.052 7.095 -7.019 1.00 0.00 C ATOM 0 H THR B 4 6.047 4.732 -5.434 1.00 0.00 H new ATOM 0 HA THR B 4 5.641 7.485 -6.363 1.00 0.00 H new ATOM 0 HB THR B 4 3.588 5.364 -5.832 1.00 0.00 H new ATOM 0 HG1 THR B 4 3.755 5.014 -8.184 1.00 0.00 H new ATOM 0 HG21 THR B 4 2.241 6.600 -7.554 1.00 0.00 H new ATOM 0 HG22 THR B 4 2.647 7.631 -6.161 1.00 0.00 H new ATOM 0 HG23 THR B 4 3.549 7.800 -7.686 1.00 0.00 H new ATOM 1492 N GLU B 5 4.685 8.485 -4.271 1.00 0.00 N ATOM 1493 CA GLU B 5 4.346 9.168 -3.003 1.00 0.00 C ATOM 1494 C GLU B 5 2.887 9.613 -3.137 1.00 0.00 C ATOM 1495 O GLU B 5 2.576 10.589 -3.829 1.00 0.00 O ATOM 1496 CB GLU B 5 5.272 10.371 -2.709 1.00 0.00 C ATOM 1497 CG GLU B 5 6.761 10.142 -3.076 1.00 0.00 C ATOM 1498 CD GLU B 5 7.873 10.803 -2.268 1.00 0.00 C ATOM 1499 OE1 GLU B 5 8.969 10.966 -2.810 1.00 0.00 O ATOM 0 H GLU B 5 4.854 9.125 -5.047 1.00 0.00 H new ATOM 0 HA GLU B 5 4.485 8.490 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU B 5 4.905 11.238 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU B 5 5.206 10.614 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.937 9.067 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.888 10.455 -4.112 1.00 0.00 H new ATOM 1506 N VAL B 6 1.999 8.849 -2.509 1.00 0.00 N ATOM 1507 CA VAL B 6 0.548 9.089 -2.604 1.00 0.00 C ATOM 1508 C VAL B 6 0.013 9.804 -1.344 1.00 0.00 C ATOM 1509 O VAL B 6 0.739 9.978 -0.339 1.00 0.00 O ATOM 1510 CB VAL B 6 -0.142 7.760 -3.023 1.00 0.00 C ATOM 1511 CG1 VAL B 6 -0.487 6.786 -1.900 1.00 0.00 C ATOM 1512 CG2 VAL B 6 -1.369 8.040 -3.894 1.00 0.00 C ATOM 1513 OXT VAL B 6 -1.159 10.222 -1.386 1.00 0.00 O ATOM 0 H VAL B 6 2.252 8.053 -1.924 1.00 0.00 H new ATOM 0 HA VAL B 6 0.298 9.802 -3.390 1.00 0.00 H new ATOM 0 HB VAL B 6 0.624 7.236 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -0.963 5.900 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL B 6 0.424 6.495 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -1.169 7.266 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -1.837 7.097 -4.177 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -2.082 8.646 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -1.063 8.577 -4.792 1.00 0.00 H new