USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 591 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 73 HIS : no HE2:sc= -9.35! C(o=-11!,f=-14!) USER MOD Set 1.2: A 136 MET CE :methyl -106:sc= -2.05 (180deg=-1.07) USER MOD Set 2.1: A 45 THR OG1 : rot 60:sc= 1.21 USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 28 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.4!) USER MOD Single : A 32 THR OG1 : rot -16:sc= -0.57 USER MOD Single : A 37 ASN : amide:sc= -3.99! C(o=-4!,f=-6.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0482 USER MOD Single : A 51 SER OG : rot -50:sc= 0.0412 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 40:sc= 0.141 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -4.61 K(o=-4.6,f=-7.2!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -115:sc= -0.262 (180deg=-1.35) USER MOD Single : A 92 ASN : amide:sc= -2.2 K(o=-2.2,f=-8.4!) USER MOD Single : A 124 SER OG : rot -52:sc= 0.0217 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl -149:sc= -3.17! (180deg=-7.24!) USER MOD Single : A 134 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 90:sc= -0.206 USER MOD Single : A 140 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 10.370 6.691 5.831 1.00 0.00 N ATOM 19 CA GLN A 28 10.833 5.269 5.876 1.00 0.00 C ATOM 20 C GLN A 28 10.580 4.673 7.265 1.00 0.00 C ATOM 21 O GLN A 28 10.850 5.300 8.273 1.00 0.00 O ATOM 22 CB GLN A 28 12.334 5.334 5.584 1.00 0.00 C ATOM 23 CG GLN A 28 12.893 3.915 5.469 1.00 0.00 C ATOM 24 CD GLN A 28 14.415 3.974 5.346 1.00 0.00 C ATOM 25 OE1 GLN A 28 15.098 4.349 6.279 1.00 0.00 O ATOM 26 NE2 GLN A 28 14.983 3.616 4.226 1.00 0.00 N ATOM 0 HA GLN A 28 10.305 4.639 5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.512 5.882 4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.847 5.875 6.379 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.611 3.330 6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.467 3.414 4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.411 3.301 3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 28 15.998 3.651 4.135 1.00 0.00 H new ATOM 35 N GLN A 29 10.069 3.464 7.319 1.00 0.00 N ATOM 36 CA GLN A 29 9.796 2.808 8.637 1.00 0.00 C ATOM 37 C GLN A 29 10.828 1.690 8.893 1.00 0.00 C ATOM 38 O GLN A 29 11.147 0.951 7.985 1.00 0.00 O ATOM 39 CB GLN A 29 8.390 2.222 8.504 1.00 0.00 C ATOM 40 CG GLN A 29 7.368 3.215 9.065 1.00 0.00 C ATOM 41 CD GLN A 29 7.304 4.448 8.163 1.00 0.00 C ATOM 42 OE1 GLN A 29 7.401 5.564 8.633 1.00 0.00 O ATOM 43 NE2 GLN A 29 7.145 4.292 6.877 1.00 0.00 N ATOM 0 H GLN A 29 9.829 2.902 6.502 1.00 0.00 H new ATOM 0 HA GLN A 29 9.867 3.506 9.472 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.170 2.010 7.458 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.326 1.276 9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.386 2.746 9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.647 3.507 10.078 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.064 3.355 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.102 5.107 6.266 1.00 0.00 H new ATOM 52 N PRO A 30 11.331 1.594 10.117 1.00 0.00 N ATOM 53 CA PRO A 30 12.331 0.548 10.427 1.00 0.00 C ATOM 54 C PRO A 30 11.659 -0.803 10.729 1.00 0.00 C ATOM 55 O PRO A 30 11.769 -1.738 9.958 1.00 0.00 O ATOM 56 CB PRO A 30 13.055 1.095 11.654 1.00 0.00 C ATOM 57 CG PRO A 30 12.094 2.041 12.313 1.00 0.00 C ATOM 58 CD PRO A 30 11.036 2.421 11.303 1.00 0.00 C ATOM 0 HA PRO A 30 13.004 0.350 9.593 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.337 0.290 12.332 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.974 1.608 11.369 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.637 1.572 13.184 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.618 2.929 12.667 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.035 2.221 11.685 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.080 3.484 11.065 1.00 0.00 H new ATOM 66 N GLU A 31 10.969 -0.907 11.844 1.00 0.00 N ATOM 67 CA GLU A 31 10.289 -2.189 12.205 1.00 0.00 C ATOM 68 C GLU A 31 8.775 -2.001 12.198 1.00 0.00 C ATOM 69 O GLU A 31 8.245 -1.133 12.868 1.00 0.00 O ATOM 70 CB GLU A 31 10.793 -2.522 13.609 1.00 0.00 C ATOM 71 CG GLU A 31 12.048 -3.394 13.503 1.00 0.00 C ATOM 72 CD GLU A 31 12.997 -3.064 14.656 1.00 0.00 C ATOM 73 OE1 GLU A 31 13.697 -2.070 14.554 1.00 0.00 O ATOM 74 OE2 GLU A 31 13.008 -3.810 15.620 1.00 0.00 O ATOM 0 H GLU A 31 10.849 -0.153 12.520 1.00 0.00 H new ATOM 0 HA GLU A 31 10.507 -2.990 11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.018 -1.605 14.154 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.019 -3.045 14.171 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.775 -4.449 13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.545 -3.221 12.548 1.00 0.00 H new ATOM 81 N THR A 32 8.084 -2.802 11.429 1.00 0.00 N ATOM 82 CA THR A 32 6.599 -2.687 11.337 1.00 0.00 C ATOM 83 C THR A 32 6.032 -3.996 10.770 1.00 0.00 C ATOM 84 O THR A 32 6.672 -4.615 9.935 1.00 0.00 O ATOM 85 CB THR A 32 6.398 -1.511 10.360 1.00 0.00 C ATOM 86 OG1 THR A 32 6.870 -0.316 10.964 1.00 0.00 O ATOM 87 CG2 THR A 32 4.920 -1.345 9.983 1.00 0.00 C ATOM 0 H THR A 32 8.491 -3.540 10.854 1.00 0.00 H new ATOM 0 HA THR A 32 6.097 -2.518 12.290 1.00 0.00 H new ATOM 0 HB THR A 32 6.959 -1.721 9.449 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.966 -0.453 11.930 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.812 -0.508 9.293 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.562 -2.257 9.505 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.335 -1.152 10.882 1.00 0.00 H new ATOM 95 N GLU A 33 4.842 -4.422 11.190 1.00 0.00 N ATOM 96 CA GLU A 33 4.292 -5.691 10.613 1.00 0.00 C ATOM 97 C GLU A 33 3.113 -5.390 9.681 1.00 0.00 C ATOM 98 O GLU A 33 2.343 -4.462 9.884 1.00 0.00 O ATOM 99 CB GLU A 33 3.859 -6.540 11.816 1.00 0.00 C ATOM 100 CG GLU A 33 2.803 -5.795 12.630 1.00 0.00 C ATOM 101 CD GLU A 33 2.084 -6.777 13.556 1.00 0.00 C ATOM 102 OE1 GLU A 33 1.085 -7.337 13.134 1.00 0.00 O ATOM 103 OE2 GLU A 33 2.542 -6.951 14.674 1.00 0.00 O ATOM 0 H GLU A 33 4.256 -3.956 11.883 1.00 0.00 H new ATOM 0 HA GLU A 33 5.030 -6.219 10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.459 -7.494 11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.722 -6.763 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.271 -5.004 13.215 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.086 -5.316 11.963 1.00 0.00 H new ATOM 110 N ALA A 34 2.994 -6.180 8.653 1.00 0.00 N ATOM 111 CA ALA A 34 1.912 -6.001 7.656 1.00 0.00 C ATOM 112 C ALA A 34 0.884 -7.139 7.654 1.00 0.00 C ATOM 113 O ALA A 34 1.232 -8.324 7.488 1.00 0.00 O ATOM 114 CB ALA A 34 2.641 -5.963 6.320 1.00 0.00 C ATOM 0 H ALA A 34 3.620 -6.962 8.460 1.00 0.00 H new ATOM 0 HA ALA A 34 1.335 -5.103 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.918 -5.832 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.346 -5.131 6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.182 -6.898 6.174 1.00 0.00 H new ATOM 120 N VAL A 35 -0.378 -6.775 7.767 1.00 0.00 N ATOM 121 CA VAL A 35 -1.475 -7.794 7.689 1.00 0.00 C ATOM 122 C VAL A 35 -2.270 -7.528 6.369 1.00 0.00 C ATOM 123 O VAL A 35 -2.463 -6.390 5.985 1.00 0.00 O ATOM 124 CB VAL A 35 -2.297 -7.586 8.975 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.641 -8.339 8.929 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.487 -8.088 10.173 1.00 0.00 C ATOM 0 H VAL A 35 -0.692 -5.815 7.910 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.148 -8.833 7.644 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.510 -6.521 9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.188 -8.164 9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.231 -7.979 8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.456 -9.407 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.063 -7.944 11.087 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.268 -9.148 10.045 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.553 -7.530 10.240 1.00 0.00 H new ATOM 136 N LEU A 36 -2.654 -8.563 5.628 1.00 0.00 N ATOM 137 CA LEU A 36 -3.341 -8.345 4.299 1.00 0.00 C ATOM 138 C LEU A 36 -4.691 -9.089 4.121 1.00 0.00 C ATOM 139 O LEU A 36 -4.784 -10.296 4.237 1.00 0.00 O ATOM 140 CB LEU A 36 -2.323 -8.834 3.243 1.00 0.00 C ATOM 141 CG LEU A 36 -2.024 -7.717 2.232 1.00 0.00 C ATOM 142 CD1 LEU A 36 -0.677 -7.985 1.558 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.124 -7.676 1.169 1.00 0.00 C ATOM 0 H LEU A 36 -2.521 -9.540 5.888 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.613 -7.293 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.401 -9.146 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.718 -9.707 2.724 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.988 -6.760 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.465 -7.192 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.109 -8.011 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.714 -8.943 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.909 -6.883 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.163 -8.633 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.085 -7.483 1.647 1.00 0.00 H new ATOM 155 N ASN A 37 -5.711 -8.337 3.770 1.00 0.00 N ATOM 156 CA ASN A 37 -7.100 -8.856 3.470 1.00 0.00 C ATOM 157 C ASN A 37 -7.790 -9.569 4.640 1.00 0.00 C ATOM 158 O ASN A 37 -8.775 -10.248 4.421 1.00 0.00 O ATOM 159 CB ASN A 37 -6.927 -9.834 2.298 1.00 0.00 C ATOM 160 CG ASN A 37 -6.326 -9.101 1.096 1.00 0.00 C ATOM 161 OD1 ASN A 37 -6.446 -7.897 0.982 1.00 0.00 O ATOM 162 ND2 ASN A 37 -5.679 -9.781 0.191 1.00 0.00 N ATOM 0 H ASN A 37 -5.635 -7.324 3.673 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.749 -8.009 3.249 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.279 -10.659 2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.890 -10.266 2.028 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.273 -9.302 -0.613 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.579 -10.791 0.287 1.00 0.00 H new ATOM 169 N GLY A 38 -7.347 -9.377 5.862 1.00 0.00 N ATOM 170 CA GLY A 38 -8.033 -10.036 7.029 1.00 0.00 C ATOM 171 C GLY A 38 -7.075 -11.028 7.690 1.00 0.00 C ATOM 172 O GLY A 38 -7.045 -11.160 8.901 1.00 0.00 O ATOM 0 H GLY A 38 -6.544 -8.796 6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.349 -9.283 7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.932 -10.552 6.692 1.00 0.00 H new ATOM 176 N LYS A 39 -6.273 -11.701 6.901 1.00 0.00 N ATOM 177 CA LYS A 39 -5.280 -12.667 7.462 1.00 0.00 C ATOM 178 C LYS A 39 -3.950 -11.933 7.521 1.00 0.00 C ATOM 179 O LYS A 39 -3.599 -11.239 6.576 1.00 0.00 O ATOM 180 CB LYS A 39 -5.228 -13.826 6.466 1.00 0.00 C ATOM 181 CG LYS A 39 -5.068 -15.146 7.221 1.00 0.00 C ATOM 182 CD LYS A 39 -3.650 -15.245 7.785 1.00 0.00 C ATOM 183 CE LYS A 39 -3.384 -16.677 8.251 1.00 0.00 C ATOM 184 NZ LYS A 39 -2.065 -16.618 8.940 1.00 0.00 N ATOM 0 H LYS A 39 -6.265 -11.621 5.884 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.526 -13.040 8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.139 -13.846 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.396 -13.688 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.797 -15.205 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.264 -15.985 6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.924 -14.958 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.529 -14.552 8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.167 -17.025 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.359 -17.368 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.813 -17.565 9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.339 -16.290 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.121 -15.958 9.741 1.00 0.00 H new ATOM 198 N GLY A 40 -3.240 -12.012 8.633 1.00 0.00 N ATOM 199 CA GLY A 40 -1.974 -11.233 8.740 1.00 0.00 C ATOM 200 C GLY A 40 -0.832 -11.873 7.958 1.00 0.00 C ATOM 201 O GLY A 40 -0.236 -12.848 8.377 1.00 0.00 O ATOM 0 H GLY A 40 -3.484 -12.573 9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.141 -10.221 8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.690 -11.148 9.789 1.00 0.00 H new ATOM 205 N LEU A 41 -0.473 -11.250 6.864 1.00 0.00 N ATOM 206 CA LEU A 41 0.685 -11.699 6.066 1.00 0.00 C ATOM 207 C LEU A 41 1.609 -10.483 5.864 1.00 0.00 C ATOM 208 O LEU A 41 1.257 -9.550 5.161 1.00 0.00 O ATOM 209 CB LEU A 41 0.061 -12.205 4.734 1.00 0.00 C ATOM 210 CG LEU A 41 1.095 -12.285 3.585 1.00 0.00 C ATOM 211 CD1 LEU A 41 2.285 -13.155 3.995 1.00 0.00 C ATOM 212 CD2 LEU A 41 0.431 -12.879 2.340 1.00 0.00 C ATOM 0 H LEU A 41 -0.952 -10.431 6.490 1.00 0.00 H new ATOM 0 HA LEU A 41 1.285 -12.486 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.377 -13.191 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.751 -11.539 4.441 1.00 0.00 H new ATOM 0 HG LEU A 41 1.455 -11.280 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.002 -13.200 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.765 -12.724 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.937 -14.161 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.159 -12.935 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.062 -13.879 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.402 -12.246 2.035 1.00 0.00 H new ATOM 224 N GLY A 42 2.774 -10.512 6.434 1.00 0.00 N ATOM 225 CA GLY A 42 3.746 -9.406 6.256 1.00 0.00 C ATOM 226 C GLY A 42 4.414 -9.059 7.582 1.00 0.00 C ATOM 227 O GLY A 42 3.766 -8.629 8.513 1.00 0.00 O ATOM 0 H GLY A 42 3.101 -11.273 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.503 -9.694 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.237 -8.528 5.858 1.00 0.00 H new ATOM 231 N THR A 43 5.711 -9.209 7.653 1.00 0.00 N ATOM 232 CA THR A 43 6.461 -8.831 8.883 1.00 0.00 C ATOM 233 C THR A 43 7.794 -8.278 8.410 1.00 0.00 C ATOM 234 O THR A 43 8.586 -9.023 7.873 1.00 0.00 O ATOM 235 CB THR A 43 6.648 -10.131 9.668 1.00 0.00 C ATOM 236 OG1 THR A 43 5.383 -10.743 9.875 1.00 0.00 O ATOM 237 CG2 THR A 43 7.297 -9.824 11.019 1.00 0.00 C ATOM 0 H THR A 43 6.288 -9.583 6.900 1.00 0.00 H new ATOM 0 HA THR A 43 5.963 -8.090 9.509 1.00 0.00 H new ATOM 0 HB THR A 43 7.291 -10.807 9.105 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.501 -11.577 10.376 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.430 -10.750 11.578 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.268 -9.355 10.858 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.656 -9.148 11.585 1.00 0.00 H new ATOM 245 N GLY A 44 8.045 -6.993 8.570 1.00 0.00 N ATOM 246 CA GLY A 44 9.342 -6.434 8.064 1.00 0.00 C ATOM 247 C GLY A 44 9.347 -4.921 8.076 1.00 0.00 C ATOM 248 O GLY A 44 8.956 -4.283 9.034 1.00 0.00 O ATOM 0 H GLY A 44 7.421 -6.323 9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.162 -6.805 8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.519 -6.790 7.049 1.00 0.00 H new ATOM 252 N THR A 45 9.833 -4.353 7.010 1.00 0.00 N ATOM 253 CA THR A 45 9.920 -2.853 6.921 1.00 0.00 C ATOM 254 C THR A 45 9.115 -2.301 5.743 1.00 0.00 C ATOM 255 O THR A 45 9.032 -2.910 4.691 1.00 0.00 O ATOM 256 CB THR A 45 11.411 -2.525 6.781 1.00 0.00 C ATOM 257 OG1 THR A 45 11.572 -1.119 6.668 1.00 0.00 O ATOM 258 CG2 THR A 45 11.984 -3.199 5.542 1.00 0.00 C ATOM 0 H THR A 45 10.176 -4.855 6.191 1.00 0.00 H new ATOM 0 HA THR A 45 9.491 -2.387 7.808 1.00 0.00 H new ATOM 0 HB THR A 45 11.940 -2.891 7.661 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.212 -0.683 7.469 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.043 -2.958 5.454 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.863 -4.279 5.627 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.456 -2.843 4.657 1.00 0.00 H new ATOM 266 N LEU A 46 8.537 -1.138 5.919 1.00 0.00 N ATOM 267 CA LEU A 46 7.740 -0.501 4.827 1.00 0.00 C ATOM 268 C LEU A 46 8.415 0.801 4.379 1.00 0.00 C ATOM 269 O LEU A 46 8.802 1.616 5.197 1.00 0.00 O ATOM 270 CB LEU A 46 6.375 -0.204 5.451 1.00 0.00 C ATOM 271 CG LEU A 46 5.437 0.371 4.385 1.00 0.00 C ATOM 272 CD1 LEU A 46 3.985 0.060 4.761 1.00 0.00 C ATOM 273 CD2 LEU A 46 5.625 1.887 4.295 1.00 0.00 C ATOM 0 H LEU A 46 8.585 -0.598 6.783 1.00 0.00 H new ATOM 0 HA LEU A 46 7.656 -1.141 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.950 -1.116 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.486 0.504 6.273 1.00 0.00 H new ATOM 0 HG LEU A 46 5.670 -0.080 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.317 0.469 4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.848 -1.020 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.755 0.509 5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.956 2.292 3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.396 2.340 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.657 2.110 4.026 1.00 0.00 H new ATOM 285 N TYR A 47 8.536 1.002 3.088 1.00 0.00 N ATOM 286 CA TYR A 47 9.165 2.256 2.568 1.00 0.00 C ATOM 287 C TYR A 47 8.107 3.109 1.863 1.00 0.00 C ATOM 288 O TYR A 47 7.352 2.612 1.046 1.00 0.00 O ATOM 289 CB TYR A 47 10.227 1.808 1.561 1.00 0.00 C ATOM 290 CG TYR A 47 11.291 0.989 2.253 1.00 0.00 C ATOM 291 CD1 TYR A 47 11.154 -0.398 2.354 1.00 0.00 C ATOM 292 CD2 TYR A 47 12.420 1.621 2.789 1.00 0.00 C ATOM 293 CE1 TYR A 47 12.142 -1.156 2.987 1.00 0.00 C ATOM 294 CE2 TYR A 47 13.411 0.863 3.426 1.00 0.00 C ATOM 295 CZ TYR A 47 13.271 -0.526 3.525 1.00 0.00 C ATOM 296 OH TYR A 47 14.246 -1.276 4.149 1.00 0.00 O ATOM 0 H TYR A 47 8.224 0.348 2.370 1.00 0.00 H new ATOM 0 HA TYR A 47 9.599 2.853 3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.763 1.220 0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.679 2.679 1.087 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.283 -0.885 1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.527 2.693 2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.035 -2.228 3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.282 1.350 3.840 1.00 0.00 H new ATOM 0 HH TYR A 47 14.961 -0.685 4.465 1.00 0.00 H new ATOM 306 N ILE A 48 8.056 4.385 2.168 1.00 0.00 N ATOM 307 CA ILE A 48 7.052 5.282 1.509 1.00 0.00 C ATOM 308 C ILE A 48 7.774 6.282 0.600 1.00 0.00 C ATOM 309 O ILE A 48 8.645 7.014 1.034 1.00 0.00 O ATOM 310 CB ILE A 48 6.334 6.002 2.659 1.00 0.00 C ATOM 311 CG1 ILE A 48 5.654 4.970 3.567 1.00 0.00 C ATOM 312 CG2 ILE A 48 5.270 6.949 2.093 1.00 0.00 C ATOM 313 CD1 ILE A 48 5.076 5.669 4.799 1.00 0.00 C ATOM 0 H ILE A 48 8.666 4.844 2.845 1.00 0.00 H new ATOM 0 HA ILE A 48 6.346 4.734 0.885 1.00 0.00 H new ATOM 0 HB ILE A 48 7.064 6.573 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.861 4.458 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.373 4.210 3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.763 7.458 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.746 7.687 1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.543 6.377 1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.594 4.933 5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.879 6.160 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.343 6.412 4.485 1.00 0.00 H new ATOM 325 N ALA A 49 7.411 6.309 -0.660 1.00 0.00 N ATOM 326 CA ALA A 49 8.059 7.248 -1.623 1.00 0.00 C ATOM 327 C ALA A 49 6.997 8.090 -2.324 1.00 0.00 C ATOM 328 O ALA A 49 5.811 7.909 -2.111 1.00 0.00 O ATOM 329 CB ALA A 49 8.784 6.351 -2.628 1.00 0.00 C ATOM 0 H ALA A 49 6.687 5.715 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 49 8.743 7.940 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.287 6.970 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.521 5.741 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.062 5.703 -3.124 1.00 0.00 H new ATOM 335 N GLU A 50 7.414 9.006 -3.166 1.00 0.00 N ATOM 336 CA GLU A 50 6.433 9.874 -3.905 1.00 0.00 C ATOM 337 C GLU A 50 5.460 9.006 -4.716 1.00 0.00 C ATOM 338 O GLU A 50 5.800 8.479 -5.756 1.00 0.00 O ATOM 339 CB GLU A 50 7.277 10.743 -4.840 1.00 0.00 C ATOM 340 CG GLU A 50 6.371 11.735 -5.573 1.00 0.00 C ATOM 341 CD GLU A 50 7.193 12.522 -6.596 1.00 0.00 C ATOM 342 OE1 GLU A 50 8.105 11.946 -7.165 1.00 0.00 O ATOM 343 OE2 GLU A 50 6.897 13.690 -6.791 1.00 0.00 O ATOM 0 H GLU A 50 8.395 9.193 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 50 5.834 10.478 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.035 11.280 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.804 10.116 -5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.562 11.203 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.910 12.418 -4.859 1.00 0.00 H new ATOM 350 N SER A 51 4.248 8.849 -4.229 1.00 0.00 N ATOM 351 CA SER A 51 3.225 8.005 -4.942 1.00 0.00 C ATOM 352 C SER A 51 3.763 6.588 -5.204 1.00 0.00 C ATOM 353 O SER A 51 3.285 5.894 -6.083 1.00 0.00 O ATOM 354 CB SER A 51 2.929 8.725 -6.265 1.00 0.00 C ATOM 355 OG SER A 51 1.664 8.300 -6.757 1.00 0.00 O ATOM 0 H SER A 51 3.920 9.272 -3.361 1.00 0.00 H new ATOM 0 HA SER A 51 2.324 7.888 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.929 9.804 -6.113 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.709 8.505 -6.994 1.00 0.00 H new ATOM 0 HG SER A 51 1.626 7.321 -6.759 1.00 0.00 H new ATOM 361 N ARG A 52 4.745 6.158 -4.442 1.00 0.00 N ATOM 362 CA ARG A 52 5.316 4.786 -4.628 1.00 0.00 C ATOM 363 C ARG A 52 5.582 4.158 -3.259 1.00 0.00 C ATOM 364 O ARG A 52 6.182 4.779 -2.399 1.00 0.00 O ATOM 365 CB ARG A 52 6.629 4.996 -5.387 1.00 0.00 C ATOM 366 CG ARG A 52 6.335 5.377 -6.838 1.00 0.00 C ATOM 367 CD ARG A 52 5.852 4.142 -7.606 1.00 0.00 C ATOM 368 NE ARG A 52 6.996 3.190 -7.559 1.00 0.00 N ATOM 369 CZ ARG A 52 8.036 3.382 -8.321 1.00 0.00 C ATOM 370 NH1 ARG A 52 7.994 3.046 -9.580 1.00 0.00 N ATOM 371 NH2 ARG A 52 9.121 3.911 -7.822 1.00 0.00 N ATOM 0 H ARG A 52 5.176 6.703 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 52 4.643 4.121 -5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.215 5.780 -4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.228 4.086 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.576 6.159 -6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.232 5.782 -7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.962 3.713 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.589 4.393 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 52 6.966 2.387 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.147 2.633 -9.970 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.808 3.197 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.154 4.173 -6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.935 4.062 -8.417 1.00 0.00 H new ATOM 385 N LEU A 53 5.135 2.940 -3.048 1.00 0.00 N ATOM 386 CA LEU A 53 5.356 2.272 -1.726 1.00 0.00 C ATOM 387 C LEU A 53 6.068 0.930 -1.911 1.00 0.00 C ATOM 388 O LEU A 53 5.608 0.071 -2.641 1.00 0.00 O ATOM 389 CB LEU A 53 3.956 2.063 -1.150 1.00 0.00 C ATOM 390 CG LEU A 53 3.992 2.259 0.366 1.00 0.00 C ATOM 391 CD1 LEU A 53 2.578 2.522 0.883 1.00 0.00 C ATOM 392 CD2 LEU A 53 4.550 0.999 1.030 1.00 0.00 C ATOM 0 H LEU A 53 4.627 2.382 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 53 5.986 2.869 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.257 2.767 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.599 1.061 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 53 4.629 3.110 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.606 2.661 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.179 3.420 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.939 1.672 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.576 1.138 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.913 0.148 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.559 0.812 0.664 1.00 0.00 H new ATOM 404 N SER A 54 7.182 0.747 -1.239 1.00 0.00 N ATOM 405 CA SER A 54 7.936 -0.539 -1.351 1.00 0.00 C ATOM 406 C SER A 54 7.974 -1.231 0.013 1.00 0.00 C ATOM 407 O SER A 54 8.272 -0.611 1.014 1.00 0.00 O ATOM 408 CB SER A 54 9.341 -0.145 -1.801 1.00 0.00 C ATOM 409 OG SER A 54 9.267 0.484 -3.073 1.00 0.00 O ATOM 0 H SER A 54 7.601 1.438 -0.616 1.00 0.00 H new ATOM 0 HA SER A 54 7.476 -1.235 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.792 0.530 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.979 -1.027 -1.855 1.00 0.00 H new ATOM 0 HG SER A 54 10.167 0.740 -3.364 1.00 0.00 H new ATOM 415 N TRP A 55 7.657 -2.503 0.054 1.00 0.00 N ATOM 416 CA TRP A 55 7.655 -3.246 1.357 1.00 0.00 C ATOM 417 C TRP A 55 8.672 -4.390 1.348 1.00 0.00 C ATOM 418 O TRP A 55 8.859 -5.045 0.337 1.00 0.00 O ATOM 419 CB TRP A 55 6.237 -3.799 1.492 1.00 0.00 C ATOM 420 CG TRP A 55 5.810 -3.740 2.922 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.142 -2.710 3.478 1.00 0.00 C ATOM 422 CD2 TRP A 55 6.006 -4.721 3.980 1.00 0.00 C ATOM 423 NE1 TRP A 55 4.913 -2.991 4.810 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.426 -4.220 5.168 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.624 -5.985 4.026 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.457 -4.943 6.359 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.652 -6.716 5.226 1.00 0.00 C ATOM 428 CH2 TRP A 55 6.069 -6.194 6.388 1.00 0.00 C ATOM 0 H TRP A 55 7.399 -3.061 -0.760 1.00 0.00 H new ATOM 0 HA TRP A 55 7.932 -2.597 2.188 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.550 -3.222 0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 55 6.201 -4.828 1.134 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.836 -1.811 2.965 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.424 -2.366 5.451 1.00 0.00 H new ATOM 0 HE3 TRP A 55 7.078 -6.394 3.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 5.009 -4.536 7.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 7.126 -7.686 5.253 1.00 0.00 H new ATOM 0 HH2 TRP A 55 6.094 -6.762 7.306 1.00 0.00 H new ATOM 439 N LEU A 56 9.308 -4.647 2.472 1.00 0.00 N ATOM 440 CA LEU A 56 10.294 -5.770 2.538 1.00 0.00 C ATOM 441 C LEU A 56 9.788 -6.868 3.471 1.00 0.00 C ATOM 442 O LEU A 56 9.423 -6.604 4.615 1.00 0.00 O ATOM 443 CB LEU A 56 11.568 -5.168 3.097 1.00 0.00 C ATOM 444 CG LEU A 56 12.781 -5.959 2.586 1.00 0.00 C ATOM 445 CD1 LEU A 56 13.941 -5.001 2.317 1.00 0.00 C ATOM 446 CD2 LEU A 56 13.206 -6.987 3.639 1.00 0.00 C ATOM 0 H LEU A 56 9.185 -4.127 3.341 1.00 0.00 H new ATOM 0 HA LEU A 56 10.451 -6.219 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.650 -4.123 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.543 -5.186 4.187 1.00 0.00 H new ATOM 0 HG LEU A 56 12.512 -6.473 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.801 -5.564 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.643 -4.270 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.208 -4.485 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.067 -7.547 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.472 -6.473 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.381 -7.674 3.831 1.00 0.00 H new ATOM 458 N ASP A 57 9.775 -8.095 2.992 1.00 0.00 N ATOM 459 CA ASP A 57 9.292 -9.233 3.831 1.00 0.00 C ATOM 460 C ASP A 57 10.389 -9.732 4.781 1.00 0.00 C ATOM 461 O ASP A 57 11.563 -9.801 4.441 1.00 0.00 O ATOM 462 CB ASP A 57 8.879 -10.335 2.856 1.00 0.00 C ATOM 463 CG ASP A 57 7.899 -11.287 3.546 1.00 0.00 C ATOM 464 OD1 ASP A 57 7.114 -10.817 4.355 1.00 0.00 O ATOM 465 OD2 ASP A 57 7.950 -12.471 3.256 1.00 0.00 O ATOM 0 H ASP A 57 10.080 -8.352 2.053 1.00 0.00 H new ATOM 0 HA ASP A 57 8.458 -8.924 4.461 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.416 -9.898 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.758 -10.884 2.517 1.00 0.00 H new ATOM 470 N GLY A 58 9.971 -10.066 5.978 1.00 0.00 N ATOM 471 CA GLY A 58 10.875 -10.550 7.067 1.00 0.00 C ATOM 472 C GLY A 58 11.831 -11.665 6.619 1.00 0.00 C ATOM 473 O GLY A 58 12.833 -11.901 7.275 1.00 0.00 O ATOM 0 H GLY A 58 8.991 -10.019 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.460 -9.710 7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.269 -10.914 7.897 1.00 0.00 H new ATOM 477 N SER A 59 11.546 -12.358 5.534 1.00 0.00 N ATOM 478 CA SER A 59 12.456 -13.463 5.078 1.00 0.00 C ATOM 479 C SER A 59 13.606 -12.932 4.203 1.00 0.00 C ATOM 480 O SER A 59 14.260 -13.696 3.516 1.00 0.00 O ATOM 481 CB SER A 59 11.560 -14.397 4.266 1.00 0.00 C ATOM 482 OG SER A 59 10.580 -14.970 5.121 1.00 0.00 O ATOM 0 H SER A 59 10.725 -12.205 4.948 1.00 0.00 H new ATOM 0 HA SER A 59 12.929 -13.961 5.924 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.077 -13.846 3.459 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.158 -15.182 3.803 1.00 0.00 H new ATOM 0 HG SER A 59 10.003 -15.568 4.602 1.00 0.00 H new ATOM 488 N GLY A 60 13.861 -11.636 4.220 1.00 0.00 N ATOM 489 CA GLY A 60 14.964 -11.063 3.394 1.00 0.00 C ATOM 490 C GLY A 60 14.526 -10.910 1.944 1.00 0.00 C ATOM 491 O GLY A 60 15.349 -10.866 1.045 1.00 0.00 O ATOM 0 H GLY A 60 13.345 -10.955 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.259 -10.093 3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.840 -11.710 3.448 1.00 0.00 H new ATOM 495 N LEU A 61 13.241 -10.820 1.713 1.00 0.00 N ATOM 496 CA LEU A 61 12.733 -10.658 0.319 1.00 0.00 C ATOM 497 C LEU A 61 11.719 -9.530 0.298 1.00 0.00 C ATOM 498 O LEU A 61 10.751 -9.569 1.029 1.00 0.00 O ATOM 499 CB LEU A 61 12.068 -11.992 -0.031 1.00 0.00 C ATOM 500 CG LEU A 61 13.099 -13.123 0.046 1.00 0.00 C ATOM 501 CD1 LEU A 61 12.400 -14.465 -0.178 1.00 0.00 C ATOM 502 CD2 LEU A 61 14.164 -12.917 -1.035 1.00 0.00 C ATOM 0 H LEU A 61 12.520 -10.852 2.433 1.00 0.00 H new ATOM 0 HA LEU A 61 13.520 -10.414 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.246 -12.190 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.641 -11.944 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 61 13.572 -13.118 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.132 -15.270 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.641 -14.612 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.928 -14.470 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.898 -13.721 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.691 -12.923 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.662 -11.960 -0.878 1.00 0.00 H new ATOM 514 N GLY A 62 11.932 -8.520 -0.513 1.00 0.00 N ATOM 515 CA GLY A 62 10.970 -7.382 -0.551 1.00 0.00 C ATOM 516 C GLY A 62 10.281 -7.290 -1.898 1.00 0.00 C ATOM 517 O GLY A 62 10.573 -8.032 -2.818 1.00 0.00 O ATOM 0 H GLY A 62 12.728 -8.438 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.224 -7.507 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.497 -6.450 -0.345 1.00 0.00 H new ATOM 521 N PHE A 63 9.364 -6.369 -2.003 1.00 0.00 N ATOM 522 CA PHE A 63 8.621 -6.171 -3.272 1.00 0.00 C ATOM 523 C PHE A 63 8.142 -4.729 -3.343 1.00 0.00 C ATOM 524 O PHE A 63 7.785 -4.142 -2.335 1.00 0.00 O ATOM 525 CB PHE A 63 7.458 -7.184 -3.265 1.00 0.00 C ATOM 526 CG PHE A 63 6.529 -7.011 -2.069 1.00 0.00 C ATOM 527 CD1 PHE A 63 6.971 -7.284 -0.763 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.199 -6.620 -2.281 1.00 0.00 C ATOM 529 CE1 PHE A 63 6.089 -7.171 0.320 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.318 -6.499 -1.196 1.00 0.00 C ATOM 531 CZ PHE A 63 4.760 -6.776 0.103 1.00 0.00 C ATOM 0 H PHE A 63 9.096 -5.737 -1.249 1.00 0.00 H new ATOM 0 HA PHE A 63 9.238 -6.342 -4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.883 -7.076 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.864 -8.196 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.995 -7.582 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.852 -6.411 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.432 -7.388 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.296 -6.191 -1.363 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.079 -6.686 0.937 1.00 0.00 H new ATOM 541 N SER A 64 8.160 -4.150 -4.519 1.00 0.00 N ATOM 542 CA SER A 64 7.737 -2.729 -4.659 1.00 0.00 C ATOM 543 C SER A 64 6.285 -2.630 -5.117 1.00 0.00 C ATOM 544 O SER A 64 5.893 -3.218 -6.108 1.00 0.00 O ATOM 545 CB SER A 64 8.676 -2.142 -5.707 1.00 0.00 C ATOM 546 OG SER A 64 8.816 -3.061 -6.783 1.00 0.00 O ATOM 0 H SER A 64 8.450 -4.603 -5.386 1.00 0.00 H new ATOM 0 HA SER A 64 7.792 -2.194 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.283 -1.194 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.649 -1.934 -5.263 1.00 0.00 H new ATOM 0 HG SER A 64 7.949 -3.478 -6.972 1.00 0.00 H new ATOM 552 N LEU A 65 5.500 -1.871 -4.398 1.00 0.00 N ATOM 553 CA LEU A 65 4.066 -1.691 -4.769 1.00 0.00 C ATOM 554 C LEU A 65 3.853 -0.293 -5.359 1.00 0.00 C ATOM 555 O LEU A 65 3.755 0.685 -4.635 1.00 0.00 O ATOM 556 CB LEU A 65 3.291 -1.844 -3.458 1.00 0.00 C ATOM 557 CG LEU A 65 3.517 -3.247 -2.886 1.00 0.00 C ATOM 558 CD1 LEU A 65 2.857 -3.350 -1.509 1.00 0.00 C ATOM 559 CD2 LEU A 65 2.896 -4.286 -3.824 1.00 0.00 C ATOM 0 H LEU A 65 5.794 -1.364 -3.563 1.00 0.00 H new ATOM 0 HA LEU A 65 3.737 -2.411 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.618 -1.091 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.228 -1.678 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 65 4.587 -3.432 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.018 -4.348 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.295 -2.610 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.787 -3.165 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.056 -5.285 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.826 -4.099 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.363 -4.215 -4.806 1.00 0.00 H new ATOM 654 N SER A 71 -8.069 1.779 0.163 1.00 0.00 N ATOM 655 CA SER A 71 -9.428 2.359 -0.076 1.00 0.00 C ATOM 656 C SER A 71 -9.877 3.171 1.142 1.00 0.00 C ATOM 657 O SER A 71 -9.977 4.384 1.076 1.00 0.00 O ATOM 658 CB SER A 71 -10.343 1.158 -0.305 1.00 0.00 C ATOM 659 OG SER A 71 -11.228 1.441 -1.380 1.00 0.00 O ATOM 0 HA SER A 71 -9.444 3.040 -0.927 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.750 0.272 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.910 0.940 0.600 1.00 0.00 H new ATOM 0 HG SER A 71 -11.816 0.672 -1.531 1.00 0.00 H new ATOM 665 N LEU A 72 -10.136 2.514 2.255 1.00 0.00 N ATOM 666 CA LEU A 72 -10.564 3.248 3.480 1.00 0.00 C ATOM 667 C LEU A 72 -9.513 3.048 4.568 1.00 0.00 C ATOM 668 O LEU A 72 -9.099 1.942 4.812 1.00 0.00 O ATOM 669 CB LEU A 72 -11.900 2.603 3.879 1.00 0.00 C ATOM 670 CG LEU A 72 -12.437 3.242 5.166 1.00 0.00 C ATOM 671 CD1 LEU A 72 -13.962 3.112 5.203 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.840 2.524 6.381 1.00 0.00 C ATOM 0 H LEU A 72 -10.067 1.502 2.360 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.673 4.321 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.625 2.725 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.765 1.531 4.026 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.158 4.296 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.344 3.566 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.391 3.619 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.238 2.058 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.221 2.978 7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.119 1.471 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.754 2.612 6.358 1.00 0.00 H new ATOM 684 N HIS A 73 -9.080 4.106 5.207 1.00 0.00 N ATOM 685 CA HIS A 73 -8.051 3.980 6.276 1.00 0.00 C ATOM 686 C HIS A 73 -8.697 4.162 7.655 1.00 0.00 C ATOM 687 O HIS A 73 -9.354 5.153 7.919 1.00 0.00 O ATOM 688 CB HIS A 73 -7.041 5.100 5.985 1.00 0.00 C ATOM 689 CG HIS A 73 -5.927 5.077 7.002 1.00 0.00 C ATOM 690 ND1 HIS A 73 -6.140 5.380 8.338 1.00 0.00 N ATOM 691 CD2 HIS A 73 -4.589 4.796 6.890 1.00 0.00 C ATOM 692 CE1 HIS A 73 -4.957 5.275 8.971 1.00 0.00 C ATOM 693 NE2 HIS A 73 -3.977 4.921 8.135 1.00 0.00 N ATOM 0 H HIS A 73 -9.400 5.058 5.030 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.573 3.000 6.285 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.630 4.977 4.983 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.543 6.067 6.008 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.031 5.636 8.764 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.086 4.520 5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.817 5.455 10.027 1.00 0.00 H new ATOM 701 N ALA A 74 -8.504 3.200 8.527 1.00 0.00 N ATOM 702 CA ALA A 74 -9.092 3.282 9.897 1.00 0.00 C ATOM 703 C ALA A 74 -8.033 2.952 10.951 1.00 0.00 C ATOM 704 O ALA A 74 -7.284 1.996 10.819 1.00 0.00 O ATOM 705 CB ALA A 74 -10.208 2.238 9.911 1.00 0.00 C ATOM 0 H ALA A 74 -7.960 2.357 8.344 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.464 4.280 10.127 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.692 2.236 10.888 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.942 2.480 9.143 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.787 1.252 9.712 1.00 0.00 H new ATOM 711 N VAL A 75 -7.974 3.736 11.997 1.00 0.00 N ATOM 712 CA VAL A 75 -6.977 3.495 13.084 1.00 0.00 C ATOM 713 C VAL A 75 -7.562 3.950 14.427 1.00 0.00 C ATOM 714 O VAL A 75 -7.157 4.951 14.985 1.00 0.00 O ATOM 715 CB VAL A 75 -5.748 4.334 12.695 1.00 0.00 C ATOM 716 CG1 VAL A 75 -6.130 5.824 12.577 1.00 0.00 C ATOM 717 CG2 VAL A 75 -4.654 4.158 13.755 1.00 0.00 C ATOM 0 H VAL A 75 -8.581 4.542 12.146 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.715 2.443 13.194 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.377 3.994 11.728 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.250 6.405 12.301 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.898 5.943 11.812 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.513 6.178 13.534 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.782 4.752 13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.029 4.490 14.723 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.372 3.107 13.816 1.00 0.00 H new ATOM 876 N GLU A 85 -0.577 2.355 18.104 1.00 0.00 N ATOM 877 CA GLU A 85 0.511 2.341 17.076 1.00 0.00 C ATOM 878 C GLU A 85 0.222 1.252 16.040 1.00 0.00 C ATOM 879 O GLU A 85 1.079 0.456 15.708 1.00 0.00 O ATOM 880 CB GLU A 85 1.788 2.012 17.854 1.00 0.00 C ATOM 881 CG GLU A 85 2.049 3.097 18.905 1.00 0.00 C ATOM 882 CD GLU A 85 3.286 2.734 19.738 1.00 0.00 C ATOM 883 OE1 GLU A 85 4.166 2.074 19.208 1.00 0.00 O ATOM 884 OE2 GLU A 85 3.330 3.125 20.893 1.00 0.00 O ATOM 0 HA GLU A 85 0.595 3.287 16.541 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.690 1.040 18.338 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.634 1.944 17.170 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.199 4.060 18.416 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.180 3.202 19.555 1.00 0.00 H new ATOM 891 N HIS A 86 -0.992 1.204 15.549 1.00 0.00 N ATOM 892 CA HIS A 86 -1.380 0.159 14.543 1.00 0.00 C ATOM 893 C HIS A 86 -2.503 0.722 13.657 1.00 0.00 C ATOM 894 O HIS A 86 -3.478 1.229 14.197 1.00 0.00 O ATOM 895 CB HIS A 86 -1.934 -1.004 15.402 1.00 0.00 C ATOM 896 CG HIS A 86 -0.907 -1.496 16.397 1.00 0.00 C ATOM 897 ND1 HIS A 86 0.325 -2.007 16.015 1.00 0.00 N ATOM 898 CD2 HIS A 86 -0.931 -1.570 17.768 1.00 0.00 C ATOM 899 CE1 HIS A 86 0.982 -2.361 17.136 1.00 0.00 C ATOM 900 NE2 HIS A 86 0.262 -2.116 18.231 1.00 0.00 N ATOM 0 H HIS A 86 -1.740 1.849 15.803 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.556 -0.150 13.899 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.827 -0.673 15.933 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.236 -1.826 14.753 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.752 -1.252 18.393 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.972 -2.791 17.147 1.00 0.00 H new ATOM 0 HE2 HIS A 86 0.528 -2.291 19.200 1.00 0.00 H new ATOM 908 N LEU A 87 -2.413 0.651 12.319 1.00 0.00 N ATOM 909 CA LEU A 87 -3.544 1.213 11.493 1.00 0.00 C ATOM 910 C LEU A 87 -3.948 0.306 10.339 1.00 0.00 C ATOM 911 O LEU A 87 -3.149 -0.091 9.527 1.00 0.00 O ATOM 912 CB LEU A 87 -3.084 2.590 10.992 1.00 0.00 C ATOM 913 CG LEU A 87 -1.739 2.488 10.258 1.00 0.00 C ATOM 914 CD1 LEU A 87 -1.716 3.470 9.085 1.00 0.00 C ATOM 915 CD2 LEU A 87 -0.598 2.828 11.221 1.00 0.00 C ATOM 0 H LEU A 87 -1.637 0.245 11.796 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.441 1.295 12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.837 3.007 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.991 3.275 11.835 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.613 1.471 9.886 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.760 3.395 8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.524 3.230 8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.848 4.486 9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.355 2.755 10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.729 3.843 11.596 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.607 2.129 12.057 1.00 0.00 H new ATOM 927 N TYR A 88 -5.216 -0.019 10.262 1.00 0.00 N ATOM 928 CA TYR A 88 -5.697 -0.912 9.161 1.00 0.00 C ATOM 929 C TYR A 88 -6.574 -0.178 8.167 1.00 0.00 C ATOM 930 O TYR A 88 -7.450 0.579 8.556 1.00 0.00 O ATOM 931 CB TYR A 88 -6.441 -2.096 9.810 1.00 0.00 C ATOM 932 CG TYR A 88 -7.753 -1.673 10.447 1.00 0.00 C ATOM 933 CD1 TYR A 88 -7.740 -1.070 11.691 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.970 -1.898 9.791 1.00 0.00 C ATOM 935 CE1 TYR A 88 -8.923 -0.679 12.303 1.00 0.00 C ATOM 936 CE2 TYR A 88 -10.172 -1.508 10.398 1.00 0.00 C ATOM 937 CZ TYR A 88 -10.148 -0.895 11.660 1.00 0.00 C ATOM 938 OH TYR A 88 -11.327 -0.508 12.263 1.00 0.00 O ATOM 0 H TYR A 88 -5.937 0.294 10.912 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.845 -1.272 8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.635 -2.858 9.055 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.803 -2.552 10.567 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.799 -0.901 12.192 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.982 -2.371 8.820 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.899 -0.208 13.275 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.113 -1.679 9.896 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.082 -0.731 11.679 1.00 0.00 H new ATOM 948 N VAL A 89 -6.350 -0.407 6.886 1.00 0.00 N ATOM 949 CA VAL A 89 -7.193 0.281 5.871 1.00 0.00 C ATOM 950 C VAL A 89 -8.038 -0.767 5.107 1.00 0.00 C ATOM 951 O VAL A 89 -7.549 -1.738 4.556 1.00 0.00 O ATOM 952 CB VAL A 89 -6.235 1.125 4.974 1.00 0.00 C ATOM 953 CG1 VAL A 89 -5.329 2.008 5.866 1.00 0.00 C ATOM 954 CG2 VAL A 89 -5.295 0.257 4.130 1.00 0.00 C ATOM 0 H VAL A 89 -5.632 -1.030 6.515 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.918 0.965 6.312 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.875 1.713 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.661 2.596 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.948 2.677 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.739 1.373 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.652 0.898 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.680 -0.358 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.883 -0.386 3.476 1.00 0.00 H new ATOM 964 N MET A 90 -9.332 -0.602 5.157 1.00 0.00 N ATOM 965 CA MET A 90 -10.265 -1.595 4.523 1.00 0.00 C ATOM 966 C MET A 90 -10.401 -1.345 3.019 1.00 0.00 C ATOM 967 O MET A 90 -10.692 -0.244 2.589 1.00 0.00 O ATOM 968 CB MET A 90 -11.585 -1.394 5.270 1.00 0.00 C ATOM 969 CG MET A 90 -11.376 -1.789 6.741 1.00 0.00 C ATOM 970 SD MET A 90 -12.957 -1.722 7.618 1.00 0.00 S ATOM 971 CE MET A 90 -13.704 -3.181 6.852 1.00 0.00 C ATOM 0 H MET A 90 -9.793 0.185 5.614 1.00 0.00 H new ATOM 0 HA MET A 90 -9.909 -2.622 4.601 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.907 -0.355 5.198 1.00 0.00 H new ATOM 0 HB3 MET A 90 -12.371 -2.002 4.822 1.00 0.00 H new ATOM 0 HG2 MET A 90 -10.957 -2.793 6.802 1.00 0.00 H new ATOM 0 HG3 MET A 90 -10.659 -1.115 7.211 1.00 0.00 H new ATOM 0 HE1 MET A 90 -14.566 -2.879 6.258 1.00 0.00 H new ATOM 0 HE2 MET A 90 -12.972 -3.669 6.208 1.00 0.00 H new ATOM 0 HE3 MET A 90 -14.024 -3.876 7.628 1.00 0.00 H new ATOM 981 N VAL A 91 -10.163 -2.367 2.213 1.00 0.00 N ATOM 982 CA VAL A 91 -10.246 -2.197 0.727 1.00 0.00 C ATOM 983 C VAL A 91 -11.192 -3.235 0.105 1.00 0.00 C ATOM 984 O VAL A 91 -11.325 -4.346 0.588 1.00 0.00 O ATOM 985 CB VAL A 91 -8.808 -2.412 0.217 1.00 0.00 C ATOM 986 CG1 VAL A 91 -8.761 -2.224 -1.307 1.00 0.00 C ATOM 987 CG2 VAL A 91 -7.850 -1.402 0.867 1.00 0.00 C ATOM 0 H VAL A 91 -9.916 -3.306 2.526 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.639 -1.217 0.457 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.501 -3.424 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.742 -2.377 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.423 -2.947 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.085 -1.214 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.839 -1.568 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.166 -0.389 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.865 -1.531 1.949 1.00 0.00 H new ATOM 997 N ASN A 92 -11.829 -2.874 -0.984 1.00 0.00 N ATOM 998 CA ASN A 92 -12.754 -3.817 -1.681 1.00 0.00 C ATOM 999 C ASN A 92 -12.061 -4.387 -2.922 1.00 0.00 C ATOM 1000 O ASN A 92 -11.641 -3.650 -3.796 1.00 0.00 O ATOM 1001 CB ASN A 92 -13.961 -2.966 -2.080 1.00 0.00 C ATOM 1002 CG ASN A 92 -15.030 -3.852 -2.728 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -14.737 -4.928 -3.213 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -16.269 -3.441 -2.757 1.00 0.00 N ATOM 0 H ASN A 92 -11.745 -1.957 -1.422 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.047 -4.661 -1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.372 -2.468 -1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.653 -2.185 -2.775 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.989 -4.022 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.517 -2.539 -2.351 1.00 0.00 H new ATOM 1011 N ALA A 93 -11.937 -5.692 -2.999 1.00 0.00 N ATOM 1012 CA ALA A 93 -11.268 -6.328 -4.174 1.00 0.00 C ATOM 1013 C ALA A 93 -12.304 -7.010 -5.071 1.00 0.00 C ATOM 1014 O ALA A 93 -13.177 -7.715 -4.594 1.00 0.00 O ATOM 1015 CB ALA A 93 -10.313 -7.359 -3.577 1.00 0.00 C ATOM 0 H ALA A 93 -12.274 -6.346 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.745 -5.600 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.782 -7.871 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.594 -6.857 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.880 -8.086 -2.996 1.00 0.00 H new ATOM 1320 N PRO A 115 -17.314 -9.203 -2.234 1.00 0.00 N ATOM 1321 CA PRO A 115 -15.897 -9.640 -2.137 1.00 0.00 C ATOM 1322 C PRO A 115 -15.006 -8.471 -1.704 1.00 0.00 C ATOM 1323 O PRO A 115 -14.558 -7.689 -2.523 1.00 0.00 O ATOM 1324 CB PRO A 115 -15.554 -10.088 -3.557 1.00 0.00 C ATOM 1325 CG PRO A 115 -16.501 -9.341 -4.438 1.00 0.00 C ATOM 1326 CD PRO A 115 -17.758 -9.113 -3.642 1.00 0.00 C ATOM 0 HA PRO A 115 -15.744 -10.429 -1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.518 -9.856 -3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -15.675 -11.165 -3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -16.067 -8.392 -4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -16.716 -9.910 -5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -18.197 -8.139 -3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -18.516 -9.863 -3.870 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.749 -8.354 -0.423 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.884 -7.243 0.086 1.00 0.00 C ATOM 1336 C ILE A 116 -12.750 -7.819 0.935 1.00 0.00 C ATOM 1337 O ILE A 116 -12.955 -8.745 1.703 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.811 -6.364 0.939 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -15.957 -5.833 0.073 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -14.028 -5.174 1.509 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -16.980 -5.125 0.963 1.00 0.00 C ATOM 0 H ILE A 116 -15.104 -8.985 0.296 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.424 -6.671 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 116 -15.210 -6.964 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.571 -5.142 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.432 -6.654 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -14.693 -4.556 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -13.210 -5.540 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -13.623 -4.579 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -17.797 -4.746 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -17.374 -5.829 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -16.499 -4.294 1.480 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.564 -7.270 0.812 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.412 -7.766 1.615 1.00 0.00 C ATOM 1355 C ALA A 117 -10.021 -6.703 2.638 1.00 0.00 C ATOM 1356 O ALA A 117 -9.980 -5.518 2.321 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.284 -7.996 0.603 1.00 0.00 C ATOM 0 H ALA A 117 -11.348 -6.495 0.185 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.639 -8.680 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.399 -8.363 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.602 -8.731 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -9.048 -7.057 0.102 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.729 -7.109 3.855 1.00 0.00 N ATOM 1364 CA GLU A 118 -9.333 -6.107 4.891 1.00 0.00 C ATOM 1365 C GLU A 118 -7.819 -5.961 4.895 1.00 0.00 C ATOM 1366 O GLU A 118 -7.118 -6.855 5.337 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.826 -6.677 6.220 1.00 0.00 C ATOM 1368 CG GLU A 118 -11.278 -6.255 6.452 1.00 0.00 C ATOM 1369 CD GLU A 118 -11.805 -6.903 7.736 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -11.022 -7.067 8.658 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -12.980 -7.227 7.772 1.00 0.00 O ATOM 0 H GLU A 118 -9.748 -8.079 4.169 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.758 -5.121 4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.750 -7.764 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.198 -6.320 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.344 -5.170 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.894 -6.553 5.603 1.00 0.00 H new ATOM 1378 N PHE A 119 -7.304 -4.836 4.443 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.828 -4.644 4.455 1.00 0.00 C ATOM 1380 C PHE A 119 -5.507 -3.976 5.772 1.00 0.00 C ATOM 1381 O PHE A 119 -6.072 -2.950 6.106 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.552 -3.762 3.215 1.00 0.00 C ATOM 1383 CG PHE A 119 -4.125 -3.237 3.176 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.710 -2.280 4.099 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -3.234 -3.679 2.187 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.416 -1.761 4.048 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.929 -3.161 2.135 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.522 -2.197 3.069 1.00 0.00 C ATOM 0 H PHE A 119 -7.843 -4.054 4.071 1.00 0.00 H new ATOM 0 HA PHE A 119 -5.216 -5.544 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.747 -4.340 2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -6.245 -2.921 3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.395 -1.937 4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.551 -4.417 1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.105 -1.019 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.240 -3.505 1.377 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.521 -1.794 3.031 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.617 -4.561 6.532 1.00 0.00 N ATOM 1399 CA ARG A 120 -4.274 -3.960 7.848 1.00 0.00 C ATOM 1400 C ARG A 120 -2.765 -3.812 7.925 1.00 0.00 C ATOM 1401 O ARG A 120 -2.059 -4.794 7.829 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.795 -4.969 8.892 1.00 0.00 C ATOM 1403 CG ARG A 120 -6.298 -5.254 8.695 1.00 0.00 C ATOM 1404 CD ARG A 120 -7.031 -5.198 10.044 1.00 0.00 C ATOM 1405 NE ARG A 120 -7.949 -6.372 10.037 1.00 0.00 N ATOM 1406 CZ ARG A 120 -9.159 -6.252 10.509 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -9.907 -5.249 10.138 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -9.622 -7.137 11.348 1.00 0.00 N ATOM 0 H ARG A 120 -4.119 -5.420 6.298 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.710 -2.974 8.010 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -4.233 -5.900 8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.625 -4.578 9.895 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.727 -4.523 8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -6.433 -6.235 8.240 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.329 -5.251 10.876 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.585 -4.265 10.153 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.632 -7.267 9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.545 -4.559 9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.853 -5.155 10.507 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.038 -7.922 11.635 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.568 -7.044 11.717 1.00 0.00 H new ATOM 1422 N PHE A 121 -2.240 -2.605 8.091 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.749 -2.464 8.168 1.00 0.00 C ATOM 1424 C PHE A 121 -0.450 -1.720 9.451 1.00 0.00 C ATOM 1425 O PHE A 121 -0.778 -0.557 9.617 1.00 0.00 O ATOM 1426 CB PHE A 121 -0.312 -1.722 6.892 1.00 0.00 C ATOM 1427 CG PHE A 121 0.155 -2.741 5.842 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.697 -3.779 5.421 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.446 -2.666 5.305 1.00 0.00 C ATOM 1430 CE1 PHE A 121 -0.273 -4.716 4.481 1.00 0.00 C ATOM 1431 CE2 PHE A 121 1.861 -3.612 4.349 1.00 0.00 C ATOM 1432 CZ PHE A 121 0.999 -4.633 3.942 1.00 0.00 C ATOM 0 H PHE A 121 -2.771 -1.738 8.174 1.00 0.00 H new ATOM 0 HA PHE A 121 -0.200 -3.405 8.202 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.141 -1.133 6.499 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.494 -1.025 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.693 -3.850 5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.121 -1.885 5.623 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.938 -5.509 4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 121 2.853 -3.548 3.927 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.324 -5.356 3.209 1.00 0.00 H new ATOM 1442 N VAL A 122 0.105 -2.418 10.400 1.00 0.00 N ATOM 1443 CA VAL A 122 0.323 -1.798 11.736 1.00 0.00 C ATOM 1444 C VAL A 122 1.763 -2.019 12.257 1.00 0.00 C ATOM 1445 O VAL A 122 2.238 -3.136 12.290 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.738 -2.491 12.618 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -2.176 -2.180 12.099 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -0.520 -4.017 12.645 1.00 0.00 C ATOM 0 H VAL A 122 0.416 -3.385 10.310 1.00 0.00 H new ATOM 0 HA VAL A 122 0.218 -0.713 11.725 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.632 -2.101 13.630 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.908 -2.678 12.735 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.347 -1.104 12.123 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.279 -2.541 11.076 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.280 -4.482 13.273 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.594 -4.413 11.632 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.468 -4.236 13.049 1.00 0.00 H new ATOM 1458 N PRO A 123 2.430 -0.936 12.657 1.00 0.00 N ATOM 1459 CA PRO A 123 3.806 -1.052 13.174 1.00 0.00 C ATOM 1460 C PRO A 123 3.799 -1.272 14.687 1.00 0.00 C ATOM 1461 O PRO A 123 2.757 -1.343 15.308 1.00 0.00 O ATOM 1462 CB PRO A 123 4.424 0.302 12.848 1.00 0.00 C ATOM 1463 CG PRO A 123 3.279 1.268 12.775 1.00 0.00 C ATOM 1464 CD PRO A 123 1.998 0.477 12.655 1.00 0.00 C ATOM 0 HA PRO A 123 4.349 -1.892 12.740 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.139 0.600 13.615 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.966 0.267 11.903 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.255 1.896 13.665 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.397 1.932 11.919 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.324 0.686 13.485 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.463 0.726 11.739 1.00 0.00 H new ATOM 1472 N SER A 124 4.967 -1.359 15.277 1.00 0.00 N ATOM 1473 CA SER A 124 5.067 -1.552 16.755 1.00 0.00 C ATOM 1474 C SER A 124 5.883 -0.411 17.371 1.00 0.00 C ATOM 1475 O SER A 124 6.548 -0.585 18.375 1.00 0.00 O ATOM 1476 CB SER A 124 5.788 -2.886 16.934 1.00 0.00 C ATOM 1477 OG SER A 124 5.534 -3.387 18.240 1.00 0.00 O ATOM 0 H SER A 124 5.862 -1.304 14.792 1.00 0.00 H new ATOM 0 HA SER A 124 4.093 -1.552 17.243 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.446 -3.600 16.185 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.860 -2.756 16.784 1.00 0.00 H new ATOM 0 HG SER A 124 5.751 -2.698 18.902 1.00 0.00 H new ATOM 1483 N ASP A 125 5.835 0.755 16.766 1.00 0.00 N ATOM 1484 CA ASP A 125 6.605 1.925 17.292 1.00 0.00 C ATOM 1485 C ASP A 125 5.786 3.204 17.162 1.00 0.00 C ATOM 1486 O ASP A 125 5.281 3.522 16.101 1.00 0.00 O ATOM 1487 CB ASP A 125 7.861 1.994 16.423 1.00 0.00 C ATOM 1488 CG ASP A 125 9.048 2.451 17.273 1.00 0.00 C ATOM 1489 OD1 ASP A 125 8.838 3.258 18.165 1.00 0.00 O ATOM 1490 OD2 ASP A 125 10.147 1.986 17.019 1.00 0.00 O ATOM 0 H ASP A 125 5.291 0.945 15.925 1.00 0.00 H new ATOM 0 HA ASP A 125 6.847 1.818 18.349 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.068 1.017 15.987 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.705 2.686 15.595 1.00 0.00 H new ATOM 1495 N LYS A 126 5.665 3.956 18.239 1.00 0.00 N ATOM 1496 CA LYS A 126 4.892 5.245 18.186 1.00 0.00 C ATOM 1497 C LYS A 126 5.537 6.171 17.159 1.00 0.00 C ATOM 1498 O LYS A 126 4.867 6.891 16.437 1.00 0.00 O ATOM 1499 CB LYS A 126 4.990 5.845 19.592 1.00 0.00 C ATOM 1500 CG LYS A 126 4.169 7.135 19.651 1.00 0.00 C ATOM 1501 CD LYS A 126 4.178 7.683 21.080 1.00 0.00 C ATOM 1502 CE LYS A 126 3.165 8.823 21.197 1.00 0.00 C ATOM 1503 NZ LYS A 126 2.814 8.876 22.643 1.00 0.00 N ATOM 0 H LYS A 126 6.067 3.732 19.149 1.00 0.00 H new ATOM 0 HA LYS A 126 3.852 5.098 17.895 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.622 5.132 20.330 1.00 0.00 H new ATOM 0 HB3 LYS A 126 6.031 6.052 19.840 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.583 7.874 18.965 1.00 0.00 H new ATOM 0 HG3 LYS A 126 3.145 6.942 19.331 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.932 6.890 21.786 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.175 8.041 21.337 1.00 0.00 H new ATOM 0 HE2 LYS A 126 3.592 9.767 20.859 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.284 8.634 20.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 2.122 9.635 22.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 2.404 7.966 22.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 3.671 9.064 23.202 1.00 0.00 H new ATOM 1517 N SER A 127 6.844 6.113 17.072 1.00 0.00 N ATOM 1518 CA SER A 127 7.572 6.941 16.074 1.00 0.00 C ATOM 1519 C SER A 127 7.252 6.422 14.672 1.00 0.00 C ATOM 1520 O SER A 127 7.235 7.179 13.715 1.00 0.00 O ATOM 1521 CB SER A 127 9.062 6.765 16.387 1.00 0.00 C ATOM 1522 OG SER A 127 9.448 5.429 16.091 1.00 0.00 O ATOM 0 H SER A 127 7.437 5.522 17.655 1.00 0.00 H new ATOM 0 HA SER A 127 7.288 7.992 16.117 1.00 0.00 H new ATOM 0 HB2 SER A 127 9.654 7.466 15.799 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.254 6.987 17.437 1.00 0.00 H new ATOM 0 HG SER A 127 10.401 5.312 16.288 1.00 0.00 H new ATOM 1528 N ALA A 128 6.983 5.132 14.547 1.00 0.00 N ATOM 1529 CA ALA A 128 6.649 4.566 13.202 1.00 0.00 C ATOM 1530 C ALA A 128 5.244 5.007 12.786 1.00 0.00 C ATOM 1531 O ALA A 128 4.997 5.311 11.630 1.00 0.00 O ATOM 1532 CB ALA A 128 6.710 3.047 13.362 1.00 0.00 C ATOM 0 H ALA A 128 6.982 4.460 15.314 1.00 0.00 H new ATOM 0 HA ALA A 128 7.339 4.911 12.432 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.475 2.571 12.410 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.712 2.754 13.676 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.987 2.731 14.114 1.00 0.00 H new ATOM 1538 N LEU A 129 4.324 5.046 13.724 1.00 0.00 N ATOM 1539 CA LEU A 129 2.925 5.468 13.397 1.00 0.00 C ATOM 1540 C LEU A 129 2.895 6.945 12.999 1.00 0.00 C ATOM 1541 O LEU A 129 2.269 7.311 12.018 1.00 0.00 O ATOM 1542 CB LEU A 129 2.111 5.241 14.676 1.00 0.00 C ATOM 1543 CG LEU A 129 0.632 5.504 14.389 1.00 0.00 C ATOM 1544 CD1 LEU A 129 -0.036 4.216 13.904 1.00 0.00 C ATOM 1545 CD2 LEU A 129 -0.055 5.987 15.667 1.00 0.00 C ATOM 0 H LEU A 129 4.484 4.803 14.702 1.00 0.00 H new ATOM 0 HA LEU A 129 2.519 4.902 12.559 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.248 4.220 15.031 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.463 5.903 15.467 1.00 0.00 H new ATOM 0 HG LEU A 129 0.543 6.268 13.616 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.090 4.407 13.700 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.453 3.873 12.992 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.052 3.449 14.673 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.109 6.175 15.464 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.036 5.223 16.440 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.418 6.907 16.009 1.00 0.00 H new ATOM 1557 N GLU A 130 3.568 7.794 13.750 1.00 0.00 N ATOM 1558 CA GLU A 130 3.577 9.253 13.410 1.00 0.00 C ATOM 1559 C GLU A 130 4.305 9.470 12.078 1.00 0.00 C ATOM 1560 O GLU A 130 3.947 10.343 11.305 1.00 0.00 O ATOM 1561 CB GLU A 130 4.296 9.953 14.574 1.00 0.00 C ATOM 1562 CG GLU A 130 5.744 9.468 14.697 1.00 0.00 C ATOM 1563 CD GLU A 130 6.463 10.299 15.762 1.00 0.00 C ATOM 1564 OE1 GLU A 130 6.428 9.907 16.917 1.00 0.00 O ATOM 1565 OE2 GLU A 130 7.034 11.317 15.406 1.00 0.00 O ATOM 0 H GLU A 130 4.107 7.538 14.577 1.00 0.00 H new ATOM 0 HA GLU A 130 2.572 9.657 13.286 1.00 0.00 H new ATOM 0 HB2 GLU A 130 4.282 11.032 14.418 1.00 0.00 H new ATOM 0 HB3 GLU A 130 3.763 9.758 15.505 1.00 0.00 H new ATOM 0 HG2 GLU A 130 5.765 8.412 14.967 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.255 9.562 13.739 1.00 0.00 H new ATOM 1572 N ALA A 131 5.312 8.671 11.808 1.00 0.00 N ATOM 1573 CA ALA A 131 6.063 8.809 10.520 1.00 0.00 C ATOM 1574 C ALA A 131 5.151 8.425 9.355 1.00 0.00 C ATOM 1575 O ALA A 131 5.153 9.062 8.317 1.00 0.00 O ATOM 1576 CB ALA A 131 7.242 7.835 10.622 1.00 0.00 C ATOM 0 H ALA A 131 5.645 7.930 12.425 1.00 0.00 H new ATOM 0 HA ALA A 131 6.406 9.829 10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.835 7.885 9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.865 8.105 11.475 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.866 6.821 10.755 1.00 0.00 H new ATOM 1582 N MET A 132 4.359 7.392 9.533 1.00 0.00 N ATOM 1583 CA MET A 132 3.422 6.955 8.450 1.00 0.00 C ATOM 1584 C MET A 132 2.337 8.015 8.253 1.00 0.00 C ATOM 1585 O MET A 132 1.900 8.266 7.147 1.00 0.00 O ATOM 1586 CB MET A 132 2.805 5.640 8.940 1.00 0.00 C ATOM 1587 CG MET A 132 3.832 4.513 8.816 1.00 0.00 C ATOM 1588 SD MET A 132 3.042 2.934 9.216 1.00 0.00 S ATOM 1589 CE MET A 132 4.193 1.870 8.313 1.00 0.00 C ATOM 0 H MET A 132 4.322 6.832 10.385 1.00 0.00 H new ATOM 0 HA MET A 132 3.930 6.822 7.495 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.485 5.741 9.977 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.917 5.403 8.354 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.236 4.484 7.804 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.670 4.694 9.489 1.00 0.00 H new ATOM 0 HE1 MET A 132 3.665 0.988 7.950 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.608 2.418 7.467 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.001 1.561 8.977 1.00 0.00 H new ATOM 1599 N PHE A 133 1.909 8.634 9.327 1.00 0.00 N ATOM 1600 CA PHE A 133 0.850 9.690 9.228 1.00 0.00 C ATOM 1601 C PHE A 133 1.393 10.899 8.500 1.00 0.00 C ATOM 1602 O PHE A 133 0.705 11.495 7.695 1.00 0.00 O ATOM 1603 CB PHE A 133 0.457 10.010 10.689 1.00 0.00 C ATOM 1604 CG PHE A 133 -0.307 8.843 11.358 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.513 7.597 10.709 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.808 9.026 12.654 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -1.209 6.570 11.355 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -1.503 7.992 13.297 1.00 0.00 C ATOM 1609 CZ PHE A 133 -1.703 6.768 12.648 1.00 0.00 C ATOM 0 H PHE A 133 2.248 8.453 10.272 1.00 0.00 H new ATOM 0 HA PHE A 133 -0.022 9.366 8.659 1.00 0.00 H new ATOM 0 HB2 PHE A 133 1.356 10.231 11.265 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -0.163 10.906 10.709 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.130 7.441 9.711 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -0.658 9.968 13.160 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.365 5.625 10.856 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.885 8.140 14.296 1.00 0.00 H new ATOM 0 HZ PHE A 133 -2.240 5.975 13.147 1.00 0.00 H new ATOM 1619 N THR A 134 2.635 11.234 8.746 1.00 0.00 N ATOM 1620 CA THR A 134 3.250 12.380 8.021 1.00 0.00 C ATOM 1621 C THR A 134 3.399 11.977 6.555 1.00 0.00 C ATOM 1622 O THR A 134 3.236 12.786 5.659 1.00 0.00 O ATOM 1623 CB THR A 134 4.619 12.605 8.673 1.00 0.00 C ATOM 1624 OG1 THR A 134 4.454 12.747 10.078 1.00 0.00 O ATOM 1625 CG2 THR A 134 5.256 13.871 8.103 1.00 0.00 C ATOM 0 H THR A 134 3.245 10.764 9.415 1.00 0.00 H new ATOM 0 HA THR A 134 2.656 13.292 8.070 1.00 0.00 H new ATOM 0 HB THR A 134 5.265 11.752 8.466 1.00 0.00 H new ATOM 0 HG1 THR A 134 4.401 11.861 10.492 1.00 0.00 H new ATOM 0 HG21 THR A 134 6.229 14.030 8.568 1.00 0.00 H new ATOM 0 HG22 THR A 134 5.382 13.762 7.026 1.00 0.00 H new ATOM 0 HG23 THR A 134 4.612 14.726 8.308 1.00 0.00 H new ATOM 1633 N ALA A 135 3.685 10.713 6.310 1.00 0.00 N ATOM 1634 CA ALA A 135 3.820 10.228 4.900 1.00 0.00 C ATOM 1635 C ALA A 135 2.449 10.226 4.220 1.00 0.00 C ATOM 1636 O ALA A 135 2.291 10.696 3.108 1.00 0.00 O ATOM 1637 CB ALA A 135 4.367 8.800 5.008 1.00 0.00 C ATOM 0 H ALA A 135 3.829 10.002 7.027 1.00 0.00 H new ATOM 0 HA ALA A 135 4.477 10.864 4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.491 8.381 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.331 8.817 5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.668 8.185 5.575 1.00 0.00 H new ATOM 1643 N MET A 136 1.458 9.698 4.898 1.00 0.00 N ATOM 1644 CA MET A 136 0.076 9.650 4.326 1.00 0.00 C ATOM 1645 C MET A 136 -0.529 11.050 4.286 1.00 0.00 C ATOM 1646 O MET A 136 -1.091 11.462 3.288 1.00 0.00 O ATOM 1647 CB MET A 136 -0.726 8.745 5.265 1.00 0.00 C ATOM 1648 CG MET A 136 -2.122 8.515 4.683 1.00 0.00 C ATOM 1649 SD MET A 136 -3.036 7.369 5.743 1.00 0.00 S ATOM 1650 CE MET A 136 -2.096 5.881 5.327 1.00 0.00 C ATOM 0 H MET A 136 1.549 9.295 5.831 1.00 0.00 H new ATOM 0 HA MET A 136 0.073 9.272 3.304 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.213 7.792 5.395 1.00 0.00 H new ATOM 0 HB3 MET A 136 -0.802 9.203 6.251 1.00 0.00 H new ATOM 0 HG2 MET A 136 -2.657 9.462 4.607 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.045 8.111 3.674 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.694 5.242 4.677 1.00 0.00 H new ATOM 0 HE2 MET A 136 -1.177 6.163 4.813 1.00 0.00 H new ATOM 0 HE3 MET A 136 -1.849 5.339 6.240 1.00 0.00 H new ATOM 1660 N CYS A 137 -0.416 11.780 5.373 1.00 0.00 N ATOM 1661 CA CYS A 137 -0.990 13.167 5.416 1.00 0.00 C ATOM 1662 C CYS A 137 -0.357 14.041 4.326 1.00 0.00 C ATOM 1663 O CYS A 137 -1.047 14.765 3.628 1.00 0.00 O ATOM 1664 CB CYS A 137 -0.645 13.714 6.805 1.00 0.00 C ATOM 1665 SG CYS A 137 -1.506 15.283 7.067 1.00 0.00 S ATOM 0 H CYS A 137 0.047 11.477 6.230 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.066 13.164 5.240 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -0.934 12.996 7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 137 0.432 13.859 6.893 1.00 0.00 H new ATOM 0 HG CYS A 137 -1.215 15.746 8.246 1.00 0.00 H new ATOM 1671 N GLU A 138 0.946 13.967 4.175 1.00 0.00 N ATOM 1672 CA GLU A 138 1.636 14.785 3.124 1.00 0.00 C ATOM 1673 C GLU A 138 1.274 14.264 1.738 1.00 0.00 C ATOM 1674 O GLU A 138 1.134 15.019 0.792 1.00 0.00 O ATOM 1675 CB GLU A 138 3.135 14.626 3.388 1.00 0.00 C ATOM 1676 CG GLU A 138 3.529 15.449 4.616 1.00 0.00 C ATOM 1677 CD GLU A 138 5.052 15.448 4.775 1.00 0.00 C ATOM 1678 OE1 GLU A 138 5.737 15.402 3.765 1.00 0.00 O ATOM 1679 OE2 GLU A 138 5.509 15.496 5.904 1.00 0.00 O ATOM 0 H GLU A 138 1.561 13.376 4.734 1.00 0.00 H new ATOM 0 HA GLU A 138 1.338 15.833 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 138 3.377 13.575 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 138 3.705 14.955 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 138 3.166 16.471 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.061 15.034 5.509 1.00 0.00 H new ATOM 1686 N CYS A 139 1.118 12.977 1.630 1.00 0.00 N ATOM 1687 CA CYS A 139 0.757 12.357 0.314 1.00 0.00 C ATOM 1688 C CYS A 139 -0.688 12.711 -0.051 1.00 0.00 C ATOM 1689 O CYS A 139 -0.991 12.997 -1.196 1.00 0.00 O ATOM 1690 CB CYS A 139 0.901 10.845 0.520 1.00 0.00 C ATOM 1691 SG CYS A 139 2.619 10.359 0.218 1.00 0.00 S ATOM 0 H CYS A 139 1.225 12.317 2.400 1.00 0.00 H new ATOM 0 HA CYS A 139 1.393 12.714 -0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 139 0.608 10.575 1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 139 0.235 10.309 -0.157 1.00 0.00 H new ATOM 0 HG CYS A 139 3.292 10.432 1.328 1.00 0.00 H new ATOM 1697 N GLN A 140 -1.572 12.698 0.920 1.00 0.00 N ATOM 1698 CA GLN A 140 -3.007 13.038 0.646 1.00 0.00 C ATOM 1699 C GLN A 140 -3.132 14.519 0.286 1.00 0.00 C ATOM 1700 O GLN A 140 -3.870 14.886 -0.610 1.00 0.00 O ATOM 1701 CB GLN A 140 -3.759 12.741 1.948 1.00 0.00 C ATOM 1702 CG GLN A 140 -4.435 11.372 1.851 1.00 0.00 C ATOM 1703 CD GLN A 140 -5.273 11.127 3.093 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.151 11.901 3.420 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -5.034 10.065 3.803 1.00 0.00 N ATOM 0 H GLN A 140 -1.362 12.467 1.891 1.00 0.00 H new ATOM 0 HA GLN A 140 -3.410 12.464 -0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.068 12.757 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -4.505 13.514 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.064 11.328 0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -3.682 10.590 1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.296 9.420 3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.585 9.877 4.641 1.00 0.00 H new ATOM 1714 N ALA A 141 -2.412 15.368 0.985 1.00 0.00 N ATOM 1715 CA ALA A 141 -2.479 16.836 0.694 1.00 0.00 C ATOM 1716 C ALA A 141 -1.861 17.127 -0.677 1.00 0.00 C ATOM 1717 O ALA A 141 -2.348 17.961 -1.421 1.00 0.00 O ATOM 1718 CB ALA A 141 -1.669 17.516 1.802 1.00 0.00 C ATOM 0 H ALA A 141 -1.782 15.107 1.743 1.00 0.00 H new ATOM 0 HA ALA A 141 -3.506 17.200 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -1.677 18.595 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -2.111 17.284 2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -0.641 17.154 1.776 1.00 0.00 H new ATOM 1724 N LEU A 142 -0.793 16.441 -1.010 1.00 0.00 N ATOM 1725 CA LEU A 142 -0.128 16.664 -2.336 1.00 0.00 C ATOM 1726 C LEU A 142 -1.010 16.135 -3.468 1.00 0.00 C ATOM 1727 O LEU A 142 -1.044 16.695 -4.549 1.00 0.00 O ATOM 1728 CB LEU A 142 1.185 15.885 -2.273 1.00 0.00 C ATOM 1729 CG LEU A 142 2.183 16.492 -3.273 1.00 0.00 C ATOM 1730 CD1 LEU A 142 3.579 16.501 -2.657 1.00 0.00 C ATOM 1731 CD2 LEU A 142 2.193 15.662 -4.559 1.00 0.00 C ATOM 0 H LEU A 142 -0.352 15.735 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 142 0.041 17.723 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.595 15.922 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 142 1.010 14.835 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 142 1.884 17.514 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.287 16.931 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 142 3.570 17.098 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 142 3.879 15.480 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 142 2.901 16.095 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.489 14.638 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 142 1.196 15.661 -4.999 1.00 0.00 H new