USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 757 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 77 SER OG : rot 180:sc= 0.0303 USER MOD Set 1.2: A 86 SER OG : rot -97:sc= 0.0283 USER MOD Set 2.1: A 56 GLN : amide:sc= 0 X(o=0.27,f=0.27) USER MOD Set 2.2: A 61 CYS SG : rot 51:sc= 0.272 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0743 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.19 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -21:sc= 0.141 USER MOD Single : A 16 ASN : amide:sc= 0.139 K(o=0.14,f=-2.1!) USER MOD Single : A 20 MET CE :methyl 178:sc= 0 (180deg=-0.00826) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 177:sc= -0.212 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot -118:sc= 0.287 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -136:sc= 1.21 (180deg=0.422) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-3.6!) USER MOD Single : A 70 MET CE :methyl 167:sc= -3.06 (180deg=-3.99!) USER MOD Single : A 73 ASN : amide:sc= -5.22! C(o=-5.2!,f=-8!) USER MOD Single : A 76 TYR OH : rot 14:sc= 1.23 USER MOD Single : A 78 CYS SG : rot 110:sc= 0.958 USER MOD Single : A 80 CYS SG : rot -77:sc= -0.642 USER MOD Single : A 82 GLN : amide:sc= -2.7 K(o=-2.7,f=-5.1!) USER MOD Single : A 85 THR OG1 : rot 140:sc= -0.246 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.928 17.458 -22.352 1.00 0.00 N ATOM 2 CA GLY A 1 14.555 17.148 -21.997 1.00 0.00 C ATOM 3 C GLY A 1 14.026 18.041 -20.893 1.00 0.00 C ATOM 4 O GLY A 1 14.603 19.089 -20.601 1.00 0.00 O ATOM 0 H1 GLY A 1 15.997 17.599 -23.380 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.225 18.326 -21.863 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.546 16.671 -22.068 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.923 17.252 -22.879 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.491 16.107 -21.680 1.00 0.00 H new ATOM 8 N SER A 2 12.922 17.628 -20.277 1.00 0.00 N ATOM 9 CA SER A 2 12.311 18.401 -19.202 1.00 0.00 C ATOM 10 C SER A 2 11.612 17.484 -18.204 1.00 0.00 C ATOM 11 O SER A 2 10.788 16.650 -18.581 1.00 0.00 O ATOM 12 CB SER A 2 11.312 19.408 -19.774 1.00 0.00 C ATOM 13 OG SER A 2 10.269 18.751 -20.473 1.00 0.00 O ATOM 0 H SER A 2 12.433 16.762 -20.504 1.00 0.00 H new ATOM 0 HA SER A 2 13.101 18.941 -18.681 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.892 20.007 -18.966 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.827 20.095 -20.445 1.00 0.00 H new ATOM 0 HG SER A 2 10.084 17.888 -20.048 1.00 0.00 H new ATOM 19 N SER A 3 11.946 17.644 -16.928 1.00 0.00 N ATOM 20 CA SER A 3 11.354 16.829 -15.874 1.00 0.00 C ATOM 21 C SER A 3 9.919 17.265 -15.591 1.00 0.00 C ATOM 22 O SER A 3 9.015 16.437 -15.494 1.00 0.00 O ATOM 23 CB SER A 3 12.189 16.925 -14.595 1.00 0.00 C ATOM 24 OG SER A 3 12.073 15.744 -13.821 1.00 0.00 O ATOM 0 H SER A 3 12.624 18.331 -16.599 1.00 0.00 H new ATOM 0 HA SER A 3 11.341 15.794 -16.214 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.235 17.094 -14.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.862 17.783 -14.007 1.00 0.00 H new ATOM 0 HG SER A 3 12.617 15.829 -13.010 1.00 0.00 H new ATOM 30 N GLY A 4 9.719 18.573 -15.461 1.00 0.00 N ATOM 31 CA GLY A 4 8.394 19.098 -15.191 1.00 0.00 C ATOM 32 C GLY A 4 8.119 19.243 -13.707 1.00 0.00 C ATOM 33 O GLY A 4 8.982 19.685 -12.949 1.00 0.00 O ATOM 0 H GLY A 4 10.452 19.278 -15.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.286 20.069 -15.674 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.648 18.438 -15.633 1.00 0.00 H new ATOM 37 N SER A 5 6.912 18.870 -13.291 1.00 0.00 N ATOM 38 CA SER A 5 6.524 18.966 -11.889 1.00 0.00 C ATOM 39 C SER A 5 6.458 17.583 -11.248 1.00 0.00 C ATOM 40 O SER A 5 5.550 16.800 -11.528 1.00 0.00 O ATOM 41 CB SER A 5 5.170 19.666 -11.760 1.00 0.00 C ATOM 42 OG SER A 5 5.323 21.075 -11.749 1.00 0.00 O ATOM 0 H SER A 5 6.187 18.499 -13.905 1.00 0.00 H new ATOM 0 HA SER A 5 7.280 19.553 -11.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.526 19.374 -12.589 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.676 19.344 -10.843 1.00 0.00 H new ATOM 0 HG SER A 5 4.443 21.499 -11.667 1.00 0.00 H new ATOM 48 N SER A 6 7.426 17.291 -10.386 1.00 0.00 N ATOM 49 CA SER A 6 7.481 16.001 -9.707 1.00 0.00 C ATOM 50 C SER A 6 8.427 16.057 -8.511 1.00 0.00 C ATOM 51 O SER A 6 9.257 16.959 -8.403 1.00 0.00 O ATOM 52 CB SER A 6 7.933 14.909 -10.678 1.00 0.00 C ATOM 53 OG SER A 6 7.735 13.620 -10.123 1.00 0.00 O ATOM 0 H SER A 6 8.183 17.929 -10.141 1.00 0.00 H new ATOM 0 HA SER A 6 6.480 15.765 -9.346 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.378 14.996 -11.612 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.987 15.046 -10.920 1.00 0.00 H new ATOM 0 HG SER A 6 8.030 12.939 -10.763 1.00 0.00 H new ATOM 59 N GLY A 7 8.293 15.086 -7.613 1.00 0.00 N ATOM 60 CA GLY A 7 9.141 15.042 -6.436 1.00 0.00 C ATOM 61 C GLY A 7 8.405 15.450 -5.175 1.00 0.00 C ATOM 62 O GLY A 7 8.035 16.613 -5.014 1.00 0.00 O ATOM 0 H GLY A 7 7.612 14.329 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.534 14.033 -6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.996 15.702 -6.583 1.00 0.00 H new ATOM 66 N ALA A 8 8.189 14.492 -4.281 1.00 0.00 N ATOM 67 CA ALA A 8 7.492 14.758 -3.029 1.00 0.00 C ATOM 68 C ALA A 8 8.079 13.934 -1.888 1.00 0.00 C ATOM 69 O ALA A 8 8.763 12.936 -2.118 1.00 0.00 O ATOM 70 CB ALA A 8 6.006 14.470 -3.180 1.00 0.00 C ATOM 0 H ALA A 8 8.487 13.524 -4.400 1.00 0.00 H new ATOM 0 HA ALA A 8 7.623 15.812 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.498 14.673 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.590 15.106 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.864 13.424 -3.451 1.00 0.00 H new ATOM 76 N ARG A 9 7.808 14.357 -0.657 1.00 0.00 N ATOM 77 CA ARG A 9 8.311 13.658 0.519 1.00 0.00 C ATOM 78 C ARG A 9 7.164 13.056 1.326 1.00 0.00 C ATOM 79 O ARG A 9 6.126 13.690 1.518 1.00 0.00 O ATOM 80 CB ARG A 9 9.120 14.614 1.398 1.00 0.00 C ATOM 81 CG ARG A 9 8.296 15.748 1.985 1.00 0.00 C ATOM 82 CD ARG A 9 9.066 16.499 3.060 1.00 0.00 C ATOM 83 NE ARG A 9 8.888 15.900 4.380 1.00 0.00 N ATOM 84 CZ ARG A 9 9.605 16.241 5.444 1.00 0.00 C ATOM 85 NH1 ARG A 9 10.542 17.174 5.345 1.00 0.00 N ATOM 86 NH2 ARG A 9 9.384 15.651 6.612 1.00 0.00 N ATOM 0 H ARG A 9 7.243 15.180 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 9 8.958 12.849 0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.575 14.049 2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.934 15.035 0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.009 16.439 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.375 15.348 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.126 16.509 2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.734 17.537 3.085 1.00 0.00 H new ATOM 0 HE ARG A 9 8.174 15.180 4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.713 17.632 4.450 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.091 17.434 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.663 14.935 6.693 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.936 15.914 7.429 1.00 0.00 H new ATOM 100 N PHE A 10 7.358 11.828 1.794 1.00 0.00 N ATOM 101 CA PHE A 10 6.340 11.139 2.579 1.00 0.00 C ATOM 102 C PHE A 10 6.216 11.754 3.970 1.00 0.00 C ATOM 103 O PHE A 10 7.062 11.532 4.837 1.00 0.00 O ATOM 104 CB PHE A 10 6.676 9.651 2.695 1.00 0.00 C ATOM 105 CG PHE A 10 6.335 8.861 1.463 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.053 8.369 1.273 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.295 8.612 0.496 1.00 0.00 C ATOM 108 CE1 PHE A 10 4.737 7.642 0.141 1.00 0.00 C ATOM 109 CE2 PHE A 10 6.984 7.886 -0.638 1.00 0.00 C ATOM 110 CZ PHE A 10 5.704 7.401 -0.816 1.00 0.00 C ATOM 0 H PHE A 10 8.211 11.289 1.643 1.00 0.00 H new ATOM 0 HA PHE A 10 5.385 11.250 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.740 9.542 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.140 9.231 3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.293 8.556 2.017 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.298 8.990 0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.735 7.263 0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.742 7.698 -1.384 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.459 6.834 -1.702 1.00 0.00 H new ATOM 120 N THR A 11 5.156 12.530 4.175 1.00 0.00 N ATOM 121 CA THR A 11 4.922 13.179 5.459 1.00 0.00 C ATOM 122 C THR A 11 4.043 12.317 6.358 1.00 0.00 C ATOM 123 O THR A 11 4.004 12.512 7.573 1.00 0.00 O ATOM 124 CB THR A 11 4.257 14.557 5.278 1.00 0.00 C ATOM 125 OG1 THR A 11 4.078 15.185 6.553 1.00 0.00 O ATOM 126 CG2 THR A 11 2.913 14.422 4.580 1.00 0.00 C ATOM 0 H THR A 11 4.446 12.724 3.468 1.00 0.00 H new ATOM 0 HA THR A 11 5.896 13.313 5.929 1.00 0.00 H new ATOM 0 HB THR A 11 4.909 15.172 4.658 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.097 14.505 7.258 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.463 15.408 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.057 13.970 3.598 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.255 13.791 5.177 1.00 0.00 H new ATOM 134 N GLU A 12 3.339 11.365 5.754 1.00 0.00 N ATOM 135 CA GLU A 12 2.460 10.474 6.502 1.00 0.00 C ATOM 136 C GLU A 12 3.078 9.085 6.635 1.00 0.00 C ATOM 137 O GLU A 12 2.960 8.438 7.674 1.00 0.00 O ATOM 138 CB GLU A 12 1.096 10.373 5.816 1.00 0.00 C ATOM 139 CG GLU A 12 0.095 9.518 6.574 1.00 0.00 C ATOM 140 CD GLU A 12 -0.026 9.916 8.033 1.00 0.00 C ATOM 141 OE1 GLU A 12 0.961 9.740 8.779 1.00 0.00 O ATOM 142 OE2 GLU A 12 -1.105 10.403 8.428 1.00 0.00 O ATOM 0 H GLU A 12 3.360 11.191 4.749 1.00 0.00 H new ATOM 0 HA GLU A 12 2.327 10.891 7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.685 11.375 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.231 9.959 4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.882 9.600 6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.395 8.472 6.510 1.00 0.00 H new ATOM 149 N GLY A 13 3.738 8.634 5.572 1.00 0.00 N ATOM 150 CA GLY A 13 4.365 7.325 5.590 1.00 0.00 C ATOM 151 C GLY A 13 3.353 6.198 5.646 1.00 0.00 C ATOM 152 O GLY A 13 2.309 6.322 6.289 1.00 0.00 O ATOM 0 H GLY A 13 3.849 9.151 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.984 7.210 4.700 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.029 7.256 6.451 1.00 0.00 H new ATOM 156 N LEU A 14 3.659 5.096 4.970 1.00 0.00 N ATOM 157 CA LEU A 14 2.766 3.942 4.944 1.00 0.00 C ATOM 158 C LEU A 14 2.550 3.389 6.349 1.00 0.00 C ATOM 159 O LEU A 14 3.426 3.489 7.208 1.00 0.00 O ATOM 160 CB LEU A 14 3.338 2.851 4.037 1.00 0.00 C ATOM 161 CG LEU A 14 2.988 2.961 2.552 1.00 0.00 C ATOM 162 CD1 LEU A 14 3.985 2.180 1.710 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.571 2.467 2.300 1.00 0.00 C ATOM 0 H LEU A 14 4.518 4.977 4.433 1.00 0.00 H new ATOM 0 HA LEU A 14 1.803 4.267 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.424 2.857 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.990 1.884 4.401 1.00 0.00 H new ATOM 0 HG LEU A 14 3.042 4.010 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.720 2.270 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.987 2.580 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.964 1.130 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.339 2.553 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.489 1.424 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.868 3.070 2.875 1.00 0.00 H new ATOM 175 N ARG A 15 1.378 2.804 6.575 1.00 0.00 N ATOM 176 CA ARG A 15 1.047 2.234 7.875 1.00 0.00 C ATOM 177 C ARG A 15 1.089 0.709 7.827 1.00 0.00 C ATOM 178 O ARG A 15 1.112 0.113 6.752 1.00 0.00 O ATOM 179 CB ARG A 15 -0.338 2.703 8.324 1.00 0.00 C ATOM 180 CG ARG A 15 -1.466 2.214 7.429 1.00 0.00 C ATOM 181 CD ARG A 15 -2.827 2.600 7.987 1.00 0.00 C ATOM 182 NE ARG A 15 -2.891 4.015 8.344 1.00 0.00 N ATOM 183 CZ ARG A 15 -2.566 4.486 9.543 1.00 0.00 C ATOM 184 NH1 ARG A 15 -2.156 3.659 10.495 1.00 0.00 N ATOM 185 NH2 ARG A 15 -2.650 5.787 9.791 1.00 0.00 N ATOM 0 H ARG A 15 0.642 2.713 5.875 1.00 0.00 H new ATOM 0 HA ARG A 15 1.790 2.578 8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.517 2.357 9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.353 3.793 8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.348 2.635 6.430 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.407 1.130 7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.598 2.377 7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.043 1.994 8.867 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.202 4.678 7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.089 2.659 10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.907 4.023 11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.964 6.426 9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.400 6.148 10.712 1.00 0.00 H new ATOM 199 N ASN A 16 1.099 0.086 9.001 1.00 0.00 N ATOM 200 CA ASN A 16 1.139 -1.369 9.093 1.00 0.00 C ATOM 201 C ASN A 16 -0.248 -1.967 8.873 1.00 0.00 C ATOM 202 O ASN A 16 -1.249 -1.422 9.335 1.00 0.00 O ATOM 203 CB ASN A 16 1.682 -1.800 10.457 1.00 0.00 C ATOM 204 CG ASN A 16 0.762 -1.406 11.596 1.00 0.00 C ATOM 205 OD1 ASN A 16 0.562 -0.221 11.866 1.00 0.00 O ATOM 206 ND2 ASN A 16 0.196 -2.400 12.271 1.00 0.00 N ATOM 0 H ASN A 16 1.080 0.565 9.901 1.00 0.00 H new ATOM 0 HA ASN A 16 1.803 -1.739 8.312 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.822 -2.881 10.464 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.663 -1.350 10.613 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.433 -2.196 13.048 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.390 -3.367 12.013 1.00 0.00 H new ATOM 213 N GLU A 17 -0.296 -3.091 8.164 1.00 0.00 N ATOM 214 CA GLU A 17 -1.560 -3.761 7.883 1.00 0.00 C ATOM 215 C GLU A 17 -1.429 -5.270 8.073 1.00 0.00 C ATOM 216 O GLU A 17 -0.324 -5.797 8.194 1.00 0.00 O ATOM 217 CB GLU A 17 -2.019 -3.454 6.456 1.00 0.00 C ATOM 218 CG GLU A 17 -3.529 -3.488 6.282 1.00 0.00 C ATOM 219 CD GLU A 17 -4.262 -2.790 7.411 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.860 -1.664 7.773 1.00 0.00 O ATOM 221 OE2 GLU A 17 -5.238 -3.370 7.932 1.00 0.00 O ATOM 0 H GLU A 17 0.524 -3.556 7.775 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.305 -3.386 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.651 -2.469 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.567 -4.175 5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.793 -3.016 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.861 -4.525 6.224 1.00 0.00 H new ATOM 228 N GLU A 18 -2.567 -5.958 8.100 1.00 0.00 N ATOM 229 CA GLU A 18 -2.579 -7.405 8.278 1.00 0.00 C ATOM 230 C GLU A 18 -3.904 -7.999 7.809 1.00 0.00 C ATOM 231 O GLU A 18 -4.976 -7.546 8.210 1.00 0.00 O ATOM 232 CB GLU A 18 -2.338 -7.763 9.746 1.00 0.00 C ATOM 233 CG GLU A 18 -2.424 -9.253 10.031 1.00 0.00 C ATOM 234 CD GLU A 18 -2.299 -9.573 11.508 1.00 0.00 C ATOM 235 OE1 GLU A 18 -3.332 -9.554 12.209 1.00 0.00 O ATOM 236 OE2 GLU A 18 -1.168 -9.842 11.962 1.00 0.00 O ATOM 0 H GLU A 18 -3.491 -5.537 8.001 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.777 -7.827 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.354 -7.401 10.043 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.069 -7.241 10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.374 -9.636 9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.636 -9.770 9.483 1.00 0.00 H new ATOM 243 N ALA A 19 -3.822 -9.016 6.957 1.00 0.00 N ATOM 244 CA ALA A 19 -5.013 -9.673 6.434 1.00 0.00 C ATOM 245 C ALA A 19 -4.749 -11.149 6.159 1.00 0.00 C ATOM 246 O ALA A 19 -3.660 -11.655 6.428 1.00 0.00 O ATOM 247 CB ALA A 19 -5.489 -8.975 5.169 1.00 0.00 C ATOM 0 H ALA A 19 -2.942 -9.403 6.614 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.796 -9.605 7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.379 -9.477 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.727 -7.935 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.703 -9.012 4.415 1.00 0.00 H new ATOM 253 N MET A 20 -5.753 -11.835 5.621 1.00 0.00 N ATOM 254 CA MET A 20 -5.628 -13.254 5.309 1.00 0.00 C ATOM 255 C MET A 20 -5.176 -13.455 3.866 1.00 0.00 C ATOM 256 O MET A 20 -5.040 -12.494 3.109 1.00 0.00 O ATOM 257 CB MET A 20 -6.960 -13.969 5.543 1.00 0.00 C ATOM 258 CG MET A 20 -7.385 -13.999 7.003 1.00 0.00 C ATOM 259 SD MET A 20 -8.440 -15.409 7.389 1.00 0.00 S ATOM 260 CE MET A 20 -7.214 -16.650 7.795 1.00 0.00 C ATOM 0 H MET A 20 -6.661 -11.431 5.392 1.00 0.00 H new ATOM 0 HA MET A 20 -4.874 -13.681 5.970 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.736 -13.476 4.957 1.00 0.00 H new ATOM 0 HB3 MET A 20 -6.884 -14.992 5.174 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.498 -14.030 7.635 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.915 -13.077 7.242 1.00 0.00 H new ATOM 0 HE1 MET A 20 -7.714 -17.572 8.091 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.587 -16.840 6.924 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.594 -16.294 8.618 1.00 0.00 H new ATOM 270 N GLU A 21 -4.946 -14.710 3.492 1.00 0.00 N ATOM 271 CA GLU A 21 -4.509 -15.036 2.140 1.00 0.00 C ATOM 272 C GLU A 21 -5.675 -14.964 1.159 1.00 0.00 C ATOM 273 O GLU A 21 -6.767 -15.456 1.439 1.00 0.00 O ATOM 274 CB GLU A 21 -3.883 -16.431 2.104 1.00 0.00 C ATOM 275 CG GLU A 21 -3.739 -16.998 0.702 1.00 0.00 C ATOM 276 CD GLU A 21 -2.882 -18.249 0.664 1.00 0.00 C ATOM 277 OE1 GLU A 21 -1.643 -18.118 0.593 1.00 0.00 O ATOM 278 OE2 GLU A 21 -3.453 -19.360 0.704 1.00 0.00 O ATOM 0 H GLU A 21 -5.055 -15.517 4.106 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.760 -14.302 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.900 -16.391 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.493 -17.109 2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.727 -17.227 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.300 -16.242 0.051 1.00 0.00 H new ATOM 285 N GLY A 22 -5.435 -14.347 0.006 1.00 0.00 N ATOM 286 CA GLY A 22 -6.474 -14.221 -0.999 1.00 0.00 C ATOM 287 C GLY A 22 -7.349 -13.003 -0.779 1.00 0.00 C ATOM 288 O GLY A 22 -7.867 -12.422 -1.732 1.00 0.00 O ATOM 0 H GLY A 22 -4.539 -13.932 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.015 -14.161 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.095 -15.117 -0.990 1.00 0.00 H new ATOM 292 N ALA A 23 -7.516 -12.616 0.481 1.00 0.00 N ATOM 293 CA ALA A 23 -8.334 -11.459 0.823 1.00 0.00 C ATOM 294 C ALA A 23 -7.840 -10.206 0.109 1.00 0.00 C ATOM 295 O ALA A 23 -6.712 -10.164 -0.385 1.00 0.00 O ATOM 296 CB ALA A 23 -8.339 -11.243 2.329 1.00 0.00 C ATOM 0 H ALA A 23 -7.096 -13.087 1.282 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.354 -11.656 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.954 -10.376 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.747 -12.125 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.320 -11.073 2.676 1.00 0.00 H new ATOM 302 N THR A 24 -8.690 -9.186 0.056 1.00 0.00 N ATOM 303 CA THR A 24 -8.341 -7.933 -0.600 1.00 0.00 C ATOM 304 C THR A 24 -7.812 -6.915 0.404 1.00 0.00 C ATOM 305 O THR A 24 -8.572 -6.360 1.197 1.00 0.00 O ATOM 306 CB THR A 24 -9.550 -7.328 -1.338 1.00 0.00 C ATOM 307 OG1 THR A 24 -10.121 -8.300 -2.222 1.00 0.00 O ATOM 308 CG2 THR A 24 -9.141 -6.095 -2.129 1.00 0.00 C ATOM 0 H THR A 24 -9.626 -9.203 0.460 1.00 0.00 H new ATOM 0 HA THR A 24 -7.561 -8.164 -1.325 1.00 0.00 H new ATOM 0 HB THR A 24 -10.291 -7.033 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.890 -7.908 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.012 -5.686 -2.641 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.734 -5.346 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.383 -6.369 -2.863 1.00 0.00 H new ATOM 316 N ALA A 25 -6.506 -6.674 0.364 1.00 0.00 N ATOM 317 CA ALA A 25 -5.877 -5.721 1.269 1.00 0.00 C ATOM 318 C ALA A 25 -5.402 -4.482 0.518 1.00 0.00 C ATOM 319 O ALA A 25 -4.961 -4.568 -0.629 1.00 0.00 O ATOM 320 CB ALA A 25 -4.714 -6.375 2.000 1.00 0.00 C ATOM 0 H ALA A 25 -5.863 -7.126 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.622 -5.407 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.254 -5.651 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.078 -7.225 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.975 -6.718 1.275 1.00 0.00 H new ATOM 326 N THR A 26 -5.495 -3.327 1.171 1.00 0.00 N ATOM 327 CA THR A 26 -5.076 -2.070 0.564 1.00 0.00 C ATOM 328 C THR A 26 -4.273 -1.226 1.547 1.00 0.00 C ATOM 329 O THR A 26 -4.518 -1.257 2.753 1.00 0.00 O ATOM 330 CB THR A 26 -6.287 -1.253 0.073 1.00 0.00 C ATOM 331 OG1 THR A 26 -5.901 -0.416 -1.023 1.00 0.00 O ATOM 332 CG2 THR A 26 -6.854 -0.398 1.196 1.00 0.00 C ATOM 0 H THR A 26 -5.857 -3.237 2.120 1.00 0.00 H new ATOM 0 HA THR A 26 -4.448 -2.324 -0.290 1.00 0.00 H new ATOM 0 HB THR A 26 -7.058 -1.949 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.685 0.068 -1.357 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.708 0.170 0.826 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.174 -1.040 2.017 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.087 0.290 1.552 1.00 0.00 H new ATOM 340 N LEU A 27 -3.313 -0.471 1.023 1.00 0.00 N ATOM 341 CA LEU A 27 -2.473 0.384 1.855 1.00 0.00 C ATOM 342 C LEU A 27 -2.823 1.855 1.653 1.00 0.00 C ATOM 343 O LEU A 27 -3.374 2.234 0.619 1.00 0.00 O ATOM 344 CB LEU A 27 -0.996 0.151 1.533 1.00 0.00 C ATOM 345 CG LEU A 27 -0.476 -1.270 1.758 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.767 -1.522 0.921 1.00 0.00 C ATOM 347 CD2 LEU A 27 -0.184 -1.502 3.234 1.00 0.00 C ATOM 0 H LEU A 27 -3.097 -0.434 0.027 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.656 0.126 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.826 0.418 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.401 0.834 2.138 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.248 -1.973 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.123 -2.538 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.526 -1.397 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.545 -0.812 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.185 -2.518 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.570 -0.791 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.098 -1.364 3.812 1.00 0.00 H new ATOM 359 N GLN A 28 -2.499 2.677 2.645 1.00 0.00 N ATOM 360 CA GLN A 28 -2.778 4.107 2.574 1.00 0.00 C ATOM 361 C GLN A 28 -1.535 4.922 2.915 1.00 0.00 C ATOM 362 O GLN A 28 -0.783 4.574 3.826 1.00 0.00 O ATOM 363 CB GLN A 28 -3.919 4.473 3.526 1.00 0.00 C ATOM 364 CG GLN A 28 -4.741 5.663 3.060 1.00 0.00 C ATOM 365 CD GLN A 28 -6.015 5.842 3.862 1.00 0.00 C ATOM 366 OE1 GLN A 28 -5.979 5.965 5.087 1.00 0.00 O ATOM 367 NE2 GLN A 28 -7.150 5.859 3.174 1.00 0.00 N ATOM 0 H GLN A 28 -2.043 2.378 3.507 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.076 4.343 1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.576 3.611 3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.504 4.691 4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.138 6.568 3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.994 5.535 2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.133 5.754 2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.039 5.978 3.660 1.00 0.00 H new ATOM 376 N CYS A 29 -1.324 6.006 2.177 1.00 0.00 N ATOM 377 CA CYS A 29 -0.170 6.870 2.400 1.00 0.00 C ATOM 378 C CYS A 29 -0.364 8.222 1.720 1.00 0.00 C ATOM 379 O CYS A 29 -0.841 8.295 0.588 1.00 0.00 O ATOM 380 CB CYS A 29 1.102 6.202 1.879 1.00 0.00 C ATOM 381 SG CYS A 29 1.110 5.918 0.094 1.00 0.00 S ATOM 0 H CYS A 29 -1.937 6.308 1.419 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.072 7.034 3.473 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.959 6.823 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.233 5.247 2.388 1.00 0.00 H new ATOM 0 HG CYS A 29 1.188 4.642 -0.142 1.00 0.00 H new ATOM 387 N GLU A 30 0.008 9.289 2.420 1.00 0.00 N ATOM 388 CA GLU A 30 -0.128 10.638 1.884 1.00 0.00 C ATOM 389 C GLU A 30 1.241 11.251 1.599 1.00 0.00 C ATOM 390 O GLU A 30 2.228 10.930 2.263 1.00 0.00 O ATOM 391 CB GLU A 30 -0.901 11.525 2.862 1.00 0.00 C ATOM 392 CG GLU A 30 -1.673 12.646 2.188 1.00 0.00 C ATOM 393 CD GLU A 30 -2.333 13.581 3.183 1.00 0.00 C ATOM 394 OE1 GLU A 30 -1.616 14.134 4.043 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.567 13.758 3.103 1.00 0.00 O ATOM 0 H GLU A 30 0.405 9.245 3.358 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.682 10.574 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.597 10.906 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.202 11.956 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.996 13.217 1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.435 12.217 1.538 1.00 0.00 H new ATOM 402 N LEU A 31 1.292 12.133 0.607 1.00 0.00 N ATOM 403 CA LEU A 31 2.539 12.791 0.232 1.00 0.00 C ATOM 404 C LEU A 31 2.438 14.300 0.427 1.00 0.00 C ATOM 405 O LEU A 31 1.353 14.876 0.344 1.00 0.00 O ATOM 406 CB LEU A 31 2.889 12.475 -1.223 1.00 0.00 C ATOM 407 CG LEU A 31 3.157 11.004 -1.544 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.905 10.725 -3.018 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.582 10.627 -1.165 1.00 0.00 C ATOM 0 H LEU A 31 0.485 12.409 0.048 1.00 0.00 H new ATOM 0 HA LEU A 31 3.330 12.412 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.072 12.821 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.772 13.053 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 31 2.472 10.393 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.101 9.673 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.868 10.956 -3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.566 11.345 -3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.755 9.577 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.283 11.245 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.729 10.789 -0.097 1.00 0.00 H new ATOM 421 N SER A 32 3.577 14.936 0.683 1.00 0.00 N ATOM 422 CA SER A 32 3.617 16.379 0.891 1.00 0.00 C ATOM 423 C SER A 32 2.779 17.102 -0.160 1.00 0.00 C ATOM 424 O SER A 32 2.270 18.197 0.081 1.00 0.00 O ATOM 425 CB SER A 32 5.061 16.883 0.844 1.00 0.00 C ATOM 426 OG SER A 32 5.116 18.289 1.011 1.00 0.00 O ATOM 0 H SER A 32 4.484 14.475 0.751 1.00 0.00 H new ATOM 0 HA SER A 32 3.198 16.592 1.875 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.645 16.398 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.514 16.609 -0.109 1.00 0.00 H new ATOM 0 HG SER A 32 6.049 18.586 0.979 1.00 0.00 H new ATOM 432 N LYS A 33 2.641 16.482 -1.326 1.00 0.00 N ATOM 433 CA LYS A 33 1.865 17.063 -2.415 1.00 0.00 C ATOM 434 C LYS A 33 1.608 16.033 -3.511 1.00 0.00 C ATOM 435 O LYS A 33 2.460 15.193 -3.797 1.00 0.00 O ATOM 436 CB LYS A 33 2.596 18.274 -3.000 1.00 0.00 C ATOM 437 CG LYS A 33 3.996 17.959 -3.495 1.00 0.00 C ATOM 438 CD LYS A 33 4.443 18.938 -4.567 1.00 0.00 C ATOM 439 CE LYS A 33 4.052 18.460 -5.957 1.00 0.00 C ATOM 440 NZ LYS A 33 4.110 19.561 -6.958 1.00 0.00 N ATOM 0 H LYS A 33 3.057 15.576 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 33 0.905 17.385 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.010 18.677 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.655 19.054 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.694 17.991 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.022 16.945 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.997 19.914 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.524 19.066 -4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.718 17.654 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.044 18.047 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.837 19.195 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.456 20.319 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.078 19.938 -7.003 1.00 0.00 H new ATOM 454 N ALA A 34 0.430 16.106 -4.121 1.00 0.00 N ATOM 455 CA ALA A 34 0.064 15.182 -5.188 1.00 0.00 C ATOM 456 C ALA A 34 1.249 14.908 -6.107 1.00 0.00 C ATOM 457 O ALA A 34 1.835 15.830 -6.673 1.00 0.00 O ATOM 458 CB ALA A 34 -1.109 15.735 -5.985 1.00 0.00 C ATOM 0 H ALA A 34 -0.287 16.795 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.234 14.238 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.372 15.035 -6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.965 15.873 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.831 16.693 -6.424 1.00 0.00 H new ATOM 464 N ALA A 35 1.597 13.633 -6.251 1.00 0.00 N ATOM 465 CA ALA A 35 2.711 13.238 -7.103 1.00 0.00 C ATOM 466 C ALA A 35 2.653 11.749 -7.428 1.00 0.00 C ATOM 467 O ALA A 35 2.122 10.943 -6.663 1.00 0.00 O ATOM 468 CB ALA A 35 4.034 13.583 -6.436 1.00 0.00 C ATOM 0 H ALA A 35 1.123 12.857 -5.789 1.00 0.00 H new ATOM 0 HA ALA A 35 2.633 13.791 -8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.857 13.282 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.084 14.658 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.110 13.057 -5.485 1.00 0.00 H new ATOM 474 N PRO A 36 3.210 11.373 -8.588 1.00 0.00 N ATOM 475 CA PRO A 36 3.233 9.978 -9.040 1.00 0.00 C ATOM 476 C PRO A 36 4.165 9.112 -8.200 1.00 0.00 C ATOM 477 O PRO A 36 5.219 9.567 -7.754 1.00 0.00 O ATOM 478 CB PRO A 36 3.749 10.080 -10.478 1.00 0.00 C ATOM 479 CG PRO A 36 4.540 11.342 -10.508 1.00 0.00 C ATOM 480 CD PRO A 36 3.860 12.280 -9.549 1.00 0.00 C ATOM 0 HA PRO A 36 2.254 9.506 -8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.366 9.220 -10.739 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.926 10.111 -11.192 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.573 11.162 -10.211 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.566 11.763 -11.513 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.575 12.940 -9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.134 12.916 -10.056 1.00 0.00 H new ATOM 488 N VAL A 37 3.771 7.861 -7.987 1.00 0.00 N ATOM 489 CA VAL A 37 4.572 6.930 -7.201 1.00 0.00 C ATOM 490 C VAL A 37 4.696 5.583 -7.903 1.00 0.00 C ATOM 491 O VAL A 37 3.850 5.217 -8.718 1.00 0.00 O ATOM 492 CB VAL A 37 3.968 6.713 -5.801 1.00 0.00 C ATOM 493 CG1 VAL A 37 3.816 8.040 -5.073 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.630 5.996 -5.903 1.00 0.00 C ATOM 0 H VAL A 37 2.901 7.468 -8.348 1.00 0.00 H new ATOM 0 HA VAL A 37 5.562 7.374 -7.097 1.00 0.00 H new ATOM 0 HB VAL A 37 4.648 6.085 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.388 7.866 -4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.793 8.511 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.158 8.695 -5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.218 5.851 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.940 6.596 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.772 5.027 -6.381 1.00 0.00 H new ATOM 504 N GLU A 38 5.756 4.849 -7.580 1.00 0.00 N ATOM 505 CA GLU A 38 5.991 3.541 -8.181 1.00 0.00 C ATOM 506 C GLU A 38 6.124 2.465 -7.108 1.00 0.00 C ATOM 507 O GLU A 38 7.228 2.157 -6.657 1.00 0.00 O ATOM 508 CB GLU A 38 7.251 3.572 -9.048 1.00 0.00 C ATOM 509 CG GLU A 38 7.670 2.205 -9.562 1.00 0.00 C ATOM 510 CD GLU A 38 9.021 2.229 -10.250 1.00 0.00 C ATOM 511 OE1 GLU A 38 9.065 2.530 -11.461 1.00 0.00 O ATOM 512 OE2 GLU A 38 10.035 1.947 -9.577 1.00 0.00 O ATOM 0 H GLU A 38 6.465 5.137 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 38 5.133 3.299 -8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.081 4.234 -9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.070 4.000 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.703 1.502 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.918 1.837 -10.260 1.00 0.00 H new ATOM 519 N TRP A 39 4.994 1.898 -6.703 1.00 0.00 N ATOM 520 CA TRP A 39 4.984 0.856 -5.682 1.00 0.00 C ATOM 521 C TRP A 39 5.868 -0.317 -6.092 1.00 0.00 C ATOM 522 O TRP A 39 5.848 -0.747 -7.245 1.00 0.00 O ATOM 523 CB TRP A 39 3.555 0.371 -5.433 1.00 0.00 C ATOM 524 CG TRP A 39 2.637 1.451 -4.946 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.059 2.436 -5.696 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.193 1.657 -3.601 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.283 3.241 -4.898 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.348 2.784 -3.608 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.426 0.997 -2.391 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.738 3.264 -2.453 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.820 1.475 -1.245 1.00 0.00 C ATOM 532 CH2 TRP A 39 0.983 2.599 -1.282 1.00 0.00 C ATOM 0 H TRP A 39 4.072 2.142 -7.066 1.00 0.00 H new ATOM 0 HA TRP A 39 5.382 1.281 -4.761 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.155 -0.047 -6.357 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.575 -0.436 -4.701 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.193 2.563 -6.760 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.746 4.048 -5.215 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.068 0.129 -2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.094 4.131 -2.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.994 0.974 -0.304 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.523 2.947 -0.369 1.00 0.00 H new ATOM 543 N ARG A 40 6.642 -0.829 -5.141 1.00 0.00 N ATOM 544 CA ARG A 40 7.534 -1.952 -5.405 1.00 0.00 C ATOM 545 C ARG A 40 7.384 -3.028 -4.333 1.00 0.00 C ATOM 546 O ARG A 40 7.265 -2.726 -3.146 1.00 0.00 O ATOM 547 CB ARG A 40 8.986 -1.474 -5.464 1.00 0.00 C ATOM 548 CG ARG A 40 9.249 -0.458 -6.563 1.00 0.00 C ATOM 549 CD ARG A 40 10.613 0.195 -6.404 1.00 0.00 C ATOM 550 NE ARG A 40 11.696 -0.784 -6.443 1.00 0.00 N ATOM 551 CZ ARG A 40 12.968 -0.464 -6.654 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.314 0.802 -6.843 1.00 0.00 N ATOM 553 NH2 ARG A 40 13.897 -1.411 -6.675 1.00 0.00 N ATOM 0 H ARG A 40 6.670 -0.485 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 40 7.261 -2.383 -6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.254 -1.035 -4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.637 -2.335 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.190 -0.948 -7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.474 0.308 -6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.759 0.928 -7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.648 0.737 -5.459 1.00 0.00 H new ATOM 0 HE ARG A 40 11.463 -1.767 -6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.603 1.533 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.291 1.045 -7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.635 -2.386 -6.529 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.873 -1.164 -6.837 1.00 0.00 H new ATOM 567 N LYS A 41 7.391 -4.286 -4.761 1.00 0.00 N ATOM 568 CA LYS A 41 7.257 -5.409 -3.840 1.00 0.00 C ATOM 569 C LYS A 41 8.626 -5.942 -3.429 1.00 0.00 C ATOM 570 O LYS A 41 8.856 -7.150 -3.425 1.00 0.00 O ATOM 571 CB LYS A 41 6.434 -6.527 -4.483 1.00 0.00 C ATOM 572 CG LYS A 41 6.986 -6.997 -5.818 1.00 0.00 C ATOM 573 CD LYS A 41 6.354 -8.310 -6.252 1.00 0.00 C ATOM 574 CE LYS A 41 6.667 -9.429 -5.271 1.00 0.00 C ATOM 575 NZ LYS A 41 6.530 -10.772 -5.900 1.00 0.00 N ATOM 0 H LYS A 41 7.488 -4.554 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 41 6.742 -5.055 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.390 -7.374 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.411 -6.178 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.803 -6.236 -6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.067 -7.119 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.274 -8.186 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.718 -8.581 -7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.682 -9.307 -4.893 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.997 -9.359 -4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.752 -11.508 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.555 -10.899 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.188 -10.848 -6.702 1.00 0.00 H new ATOM 589 N GLY A 42 9.531 -5.031 -3.082 1.00 0.00 N ATOM 590 CA GLY A 42 10.865 -5.430 -2.673 1.00 0.00 C ATOM 591 C GLY A 42 11.898 -5.195 -3.757 1.00 0.00 C ATOM 592 O GLY A 42 12.423 -4.090 -3.896 1.00 0.00 O ATOM 0 H GLY A 42 9.364 -4.025 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.149 -4.875 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.859 -6.486 -2.404 1.00 0.00 H new ATOM 596 N LEU A 43 12.193 -6.237 -4.527 1.00 0.00 N ATOM 597 CA LEU A 43 13.172 -6.140 -5.604 1.00 0.00 C ATOM 598 C LEU A 43 12.498 -6.265 -6.966 1.00 0.00 C ATOM 599 O LEU A 43 12.977 -6.984 -7.842 1.00 0.00 O ATOM 600 CB LEU A 43 14.239 -7.225 -5.449 1.00 0.00 C ATOM 601 CG LEU A 43 15.244 -7.020 -4.314 1.00 0.00 C ATOM 602 CD1 LEU A 43 15.897 -8.341 -3.936 1.00 0.00 C ATOM 603 CD2 LEU A 43 16.297 -5.996 -4.711 1.00 0.00 C ATOM 0 H LEU A 43 11.768 -7.159 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 43 13.647 -5.161 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.738 -8.181 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.790 -7.301 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 43 14.708 -6.640 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.609 -8.177 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.132 -9.045 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.419 -8.750 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.003 -5.863 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.829 -6.346 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.814 -5.044 -4.931 1.00 0.00 H new ATOM 615 N GLU A 44 11.384 -5.560 -7.137 1.00 0.00 N ATOM 616 CA GLU A 44 10.645 -5.592 -8.394 1.00 0.00 C ATOM 617 C GLU A 44 9.748 -4.365 -8.529 1.00 0.00 C ATOM 618 O GLU A 44 9.341 -3.768 -7.532 1.00 0.00 O ATOM 619 CB GLU A 44 9.803 -6.866 -8.484 1.00 0.00 C ATOM 620 CG GLU A 44 9.070 -7.019 -9.806 1.00 0.00 C ATOM 621 CD GLU A 44 8.376 -8.361 -9.935 1.00 0.00 C ATOM 622 OE1 GLU A 44 8.866 -9.342 -9.338 1.00 0.00 O ATOM 623 OE2 GLU A 44 7.343 -8.430 -10.634 1.00 0.00 O ATOM 0 H GLU A 44 10.974 -4.960 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 44 11.367 -5.584 -9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.450 -7.730 -8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.075 -6.869 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.333 -6.222 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.778 -6.900 -10.626 1.00 0.00 H new ATOM 630 N ALA A 45 9.443 -3.995 -9.768 1.00 0.00 N ATOM 631 CA ALA A 45 8.593 -2.842 -10.034 1.00 0.00 C ATOM 632 C ALA A 45 7.169 -3.274 -10.366 1.00 0.00 C ATOM 633 O ALA A 45 6.946 -4.053 -11.294 1.00 0.00 O ATOM 634 CB ALA A 45 9.172 -2.010 -11.169 1.00 0.00 C ATOM 0 H ALA A 45 9.772 -4.478 -10.604 1.00 0.00 H new ATOM 0 HA ALA A 45 8.558 -2.232 -9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.527 -1.152 -11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.168 -1.662 -10.894 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.237 -2.619 -12.070 1.00 0.00 H new ATOM 640 N LEU A 46 6.208 -2.765 -9.603 1.00 0.00 N ATOM 641 CA LEU A 46 4.804 -3.099 -9.816 1.00 0.00 C ATOM 642 C LEU A 46 4.137 -2.086 -10.741 1.00 0.00 C ATOM 643 O LEU A 46 4.476 -0.902 -10.728 1.00 0.00 O ATOM 644 CB LEU A 46 4.063 -3.150 -8.478 1.00 0.00 C ATOM 645 CG LEU A 46 4.657 -4.079 -7.418 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.283 -3.603 -6.023 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.188 -5.509 -7.639 1.00 0.00 C ATOM 0 H LEU A 46 6.375 -2.119 -8.831 1.00 0.00 H new ATOM 0 HA LEU A 46 4.757 -4.080 -10.288 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.025 -2.141 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.034 -3.457 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 46 5.743 -4.056 -7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.714 -4.276 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.669 -2.596 -5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.198 -3.596 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.620 -6.156 -6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.101 -5.549 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.506 -5.848 -8.625 1.00 0.00 H new ATOM 659 N ARG A 47 3.186 -2.558 -11.540 1.00 0.00 N ATOM 660 CA ARG A 47 2.471 -1.694 -12.471 1.00 0.00 C ATOM 661 C ARG A 47 0.962 -1.861 -12.318 1.00 0.00 C ATOM 662 O ARG A 47 0.494 -2.794 -11.665 1.00 0.00 O ATOM 663 CB ARG A 47 2.886 -2.003 -13.910 1.00 0.00 C ATOM 664 CG ARG A 47 2.585 -3.431 -14.337 1.00 0.00 C ATOM 665 CD ARG A 47 3.501 -3.880 -15.465 1.00 0.00 C ATOM 666 NE ARG A 47 3.137 -3.271 -16.741 1.00 0.00 N ATOM 667 CZ ARG A 47 3.901 -3.326 -17.826 1.00 0.00 C ATOM 668 NH1 ARG A 47 5.065 -3.960 -17.790 1.00 0.00 N ATOM 669 NH2 ARG A 47 3.501 -2.747 -18.951 1.00 0.00 N ATOM 0 H ARG A 47 2.893 -3.535 -11.561 1.00 0.00 H new ATOM 0 HA ARG A 47 2.730 -0.661 -12.240 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.373 -1.316 -14.583 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.955 -1.818 -14.019 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.702 -4.099 -13.484 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.546 -3.504 -14.659 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.531 -3.621 -15.220 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.459 -4.965 -15.556 1.00 0.00 H new ATOM 0 HE ARG A 47 2.247 -2.776 -16.803 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.376 -4.407 -16.927 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.650 -4.001 -18.625 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.606 -2.259 -18.983 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.089 -2.790 -19.784 1.00 0.00 H new ATOM 683 N ASP A 48 0.207 -0.951 -12.923 1.00 0.00 N ATOM 684 CA ASP A 48 -1.249 -0.998 -12.855 1.00 0.00 C ATOM 685 C ASP A 48 -1.818 -1.853 -13.982 1.00 0.00 C ATOM 686 O ASP A 48 -1.408 -1.732 -15.136 1.00 0.00 O ATOM 687 CB ASP A 48 -1.830 0.415 -12.928 1.00 0.00 C ATOM 688 CG ASP A 48 -3.297 0.419 -13.310 1.00 0.00 C ATOM 689 OD1 ASP A 48 -3.595 0.376 -14.522 1.00 0.00 O ATOM 690 OD2 ASP A 48 -4.147 0.465 -12.397 1.00 0.00 O ATOM 0 H ASP A 48 0.579 -0.172 -13.466 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.529 -1.449 -11.903 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.708 0.905 -11.962 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.267 0.999 -13.656 1.00 0.00 H new ATOM 695 N GLY A 49 -2.766 -2.720 -13.639 1.00 0.00 N ATOM 696 CA GLY A 49 -3.376 -3.585 -14.633 1.00 0.00 C ATOM 697 C GLY A 49 -4.618 -4.280 -14.113 1.00 0.00 C ATOM 698 O GLY A 49 -5.704 -3.700 -14.102 1.00 0.00 O ATOM 0 H GLY A 49 -3.123 -2.839 -12.691 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.635 -2.996 -15.513 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.651 -4.334 -14.952 1.00 0.00 H new ATOM 702 N ASP A 50 -4.460 -5.527 -13.683 1.00 0.00 N ATOM 703 CA ASP A 50 -5.578 -6.303 -13.160 1.00 0.00 C ATOM 704 C ASP A 50 -5.294 -6.775 -11.737 1.00 0.00 C ATOM 705 O ASP A 50 -6.125 -6.619 -10.842 1.00 0.00 O ATOM 706 CB ASP A 50 -5.858 -7.506 -14.062 1.00 0.00 C ATOM 707 CG ASP A 50 -6.579 -7.117 -15.338 1.00 0.00 C ATOM 708 OD1 ASP A 50 -5.943 -6.487 -16.209 1.00 0.00 O ATOM 709 OD2 ASP A 50 -7.778 -7.441 -15.466 1.00 0.00 O ATOM 0 H ASP A 50 -3.568 -6.022 -13.686 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.457 -5.659 -13.142 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.917 -7.994 -14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.458 -8.234 -13.516 1.00 0.00 H new ATOM 714 N LYS A 51 -4.114 -7.352 -11.535 1.00 0.00 N ATOM 715 CA LYS A 51 -3.719 -7.847 -10.222 1.00 0.00 C ATOM 716 C LYS A 51 -3.693 -6.715 -9.199 1.00 0.00 C ATOM 717 O LYS A 51 -4.234 -6.845 -8.101 1.00 0.00 O ATOM 718 CB LYS A 51 -2.343 -8.512 -10.297 1.00 0.00 C ATOM 719 CG LYS A 51 -1.821 -8.985 -8.952 1.00 0.00 C ATOM 720 CD LYS A 51 -2.379 -10.349 -8.585 1.00 0.00 C ATOM 721 CE LYS A 51 -1.958 -10.766 -7.184 1.00 0.00 C ATOM 722 NZ LYS A 51 -2.590 -12.050 -6.773 1.00 0.00 N ATOM 0 H LYS A 51 -3.414 -7.488 -12.265 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.455 -8.585 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.397 -9.363 -10.976 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.631 -7.807 -10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.732 -9.032 -8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.090 -8.262 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.467 -10.327 -8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.033 -11.090 -9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.873 -10.867 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.231 -9.984 -6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.934 -11.970 -5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.389 -12.262 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.889 -12.816 -6.832 1.00 0.00 H new ATOM 736 N TYR A 52 -3.062 -5.606 -9.568 1.00 0.00 N ATOM 737 CA TYR A 52 -2.965 -4.452 -8.682 1.00 0.00 C ATOM 738 C TYR A 52 -3.831 -3.302 -9.189 1.00 0.00 C ATOM 739 O TYR A 52 -3.797 -2.959 -10.371 1.00 0.00 O ATOM 740 CB TYR A 52 -1.510 -3.995 -8.563 1.00 0.00 C ATOM 741 CG TYR A 52 -0.577 -5.073 -8.060 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.566 -5.440 -6.720 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.295 -5.723 -8.924 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.286 -6.424 -6.256 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.149 -6.709 -8.469 1.00 0.00 C ATOM 746 CZ TYR A 52 1.141 -7.056 -7.134 1.00 0.00 C ATOM 747 OH TYR A 52 1.991 -8.037 -6.677 1.00 0.00 O ATOM 0 H TYR A 52 -2.610 -5.482 -10.474 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.327 -4.750 -7.698 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.164 -3.653 -9.538 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.460 -3.140 -7.889 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.235 -4.948 -6.029 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.306 -5.453 -9.970 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.282 -6.697 -5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.819 -7.206 -9.155 1.00 0.00 H new ATOM 0 HH TYR A 52 2.525 -8.381 -7.423 1.00 0.00 H new ATOM 757 N SER A 53 -4.605 -2.710 -8.285 1.00 0.00 N ATOM 758 CA SER A 53 -5.483 -1.601 -8.639 1.00 0.00 C ATOM 759 C SER A 53 -5.036 -0.314 -7.951 1.00 0.00 C ATOM 760 O SER A 53 -5.398 -0.053 -6.803 1.00 0.00 O ATOM 761 CB SER A 53 -6.928 -1.923 -8.255 1.00 0.00 C ATOM 762 OG SER A 53 -7.835 -1.047 -8.901 1.00 0.00 O ATOM 0 H SER A 53 -4.642 -2.980 -7.302 1.00 0.00 H new ATOM 0 HA SER A 53 -5.426 -1.455 -9.718 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.158 -2.954 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.047 -1.842 -7.175 1.00 0.00 H new ATOM 0 HG SER A 53 -8.752 -1.275 -8.640 1.00 0.00 H new ATOM 768 N LEU A 54 -4.249 0.486 -8.661 1.00 0.00 N ATOM 769 CA LEU A 54 -3.752 1.747 -8.120 1.00 0.00 C ATOM 770 C LEU A 54 -4.854 2.801 -8.095 1.00 0.00 C ATOM 771 O LEU A 54 -5.159 3.419 -9.115 1.00 0.00 O ATOM 772 CB LEU A 54 -2.569 2.249 -8.950 1.00 0.00 C ATOM 773 CG LEU A 54 -1.188 1.754 -8.519 1.00 0.00 C ATOM 774 CD1 LEU A 54 -1.031 1.857 -7.010 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.967 0.322 -8.983 1.00 0.00 C ATOM 0 H LEU A 54 -3.941 0.285 -9.612 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.421 1.570 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.730 1.958 -9.988 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.567 3.339 -8.922 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.434 2.387 -8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.042 1.500 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.146 2.896 -6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.793 1.248 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.021 -0.014 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.727 -0.324 -8.544 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.036 0.277 -10.070 1.00 0.00 H new ATOM 787 N ARG A 55 -5.448 3.001 -6.922 1.00 0.00 N ATOM 788 CA ARG A 55 -6.515 3.981 -6.764 1.00 0.00 C ATOM 789 C ARG A 55 -6.085 5.107 -5.829 1.00 0.00 C ATOM 790 O ARG A 55 -6.289 5.032 -4.617 1.00 0.00 O ATOM 791 CB ARG A 55 -7.778 3.308 -6.223 1.00 0.00 C ATOM 792 CG ARG A 55 -8.841 4.290 -5.759 1.00 0.00 C ATOM 793 CD ARG A 55 -10.230 3.674 -5.811 1.00 0.00 C ATOM 794 NE ARG A 55 -10.543 2.925 -4.598 1.00 0.00 N ATOM 795 CZ ARG A 55 -10.976 3.490 -3.476 1.00 0.00 C ATOM 796 NH1 ARG A 55 -11.148 4.803 -3.415 1.00 0.00 N ATOM 797 NH2 ARG A 55 -11.239 2.741 -2.413 1.00 0.00 N ATOM 0 H ARG A 55 -5.208 2.497 -6.068 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.730 4.408 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.200 2.669 -6.999 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.506 2.660 -5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.622 4.610 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.813 5.181 -6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.970 4.461 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.301 3.012 -6.674 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.423 1.912 -4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.948 5.382 -4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.481 5.234 -2.553 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.109 1.730 -2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.571 3.176 -1.552 1.00 0.00 H new ATOM 811 N GLN A 56 -5.490 6.149 -6.400 1.00 0.00 N ATOM 812 CA GLN A 56 -5.030 7.290 -5.617 1.00 0.00 C ATOM 813 C GLN A 56 -5.807 8.550 -5.983 1.00 0.00 C ATOM 814 O GLN A 56 -6.229 8.720 -7.127 1.00 0.00 O ATOM 815 CB GLN A 56 -3.534 7.516 -5.837 1.00 0.00 C ATOM 816 CG GLN A 56 -3.174 7.850 -7.275 1.00 0.00 C ATOM 817 CD GLN A 56 -1.685 8.061 -7.471 1.00 0.00 C ATOM 818 OE1 GLN A 56 -0.982 7.183 -7.971 1.00 0.00 O ATOM 819 NE2 GLN A 56 -1.197 9.232 -7.077 1.00 0.00 N ATOM 0 H GLN A 56 -5.315 6.227 -7.402 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.206 7.071 -4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.198 8.326 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.991 6.621 -5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.512 7.044 -7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.708 8.750 -7.579 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.817 9.931 -6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.203 9.432 -7.184 1.00 0.00 H new ATOM 828 N ASP A 57 -5.992 9.430 -5.005 1.00 0.00 N ATOM 829 CA ASP A 57 -6.718 10.676 -5.225 1.00 0.00 C ATOM 830 C ASP A 57 -5.870 11.877 -4.820 1.00 0.00 C ATOM 831 O ASP A 57 -5.838 12.262 -3.652 1.00 0.00 O ATOM 832 CB ASP A 57 -8.029 10.672 -4.438 1.00 0.00 C ATOM 833 CG ASP A 57 -8.984 9.592 -4.908 1.00 0.00 C ATOM 834 OD1 ASP A 57 -9.453 9.677 -6.061 1.00 0.00 O ATOM 835 OD2 ASP A 57 -9.262 8.663 -4.121 1.00 0.00 O ATOM 0 H ASP A 57 -5.650 9.304 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.942 10.755 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.813 10.527 -3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.510 11.645 -4.534 1.00 0.00 H new ATOM 840 N GLY A 58 -5.182 12.466 -5.794 1.00 0.00 N ATOM 841 CA GLY A 58 -4.342 13.616 -5.519 1.00 0.00 C ATOM 842 C GLY A 58 -3.063 13.241 -4.798 1.00 0.00 C ATOM 843 O GLY A 58 -2.069 12.883 -5.429 1.00 0.00 O ATOM 0 H GLY A 58 -5.192 12.166 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.094 14.113 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.899 14.333 -4.915 1.00 0.00 H new ATOM 847 N ALA A 59 -3.087 13.324 -3.471 1.00 0.00 N ATOM 848 CA ALA A 59 -1.920 12.990 -2.664 1.00 0.00 C ATOM 849 C ALA A 59 -2.072 11.614 -2.023 1.00 0.00 C ATOM 850 O ALA A 59 -1.123 10.831 -1.978 1.00 0.00 O ATOM 851 CB ALA A 59 -1.696 14.050 -1.596 1.00 0.00 C ATOM 0 H ALA A 59 -3.902 13.620 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.050 12.962 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.821 13.788 -1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.534 15.017 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.572 14.106 -0.949 1.00 0.00 H new ATOM 857 N VAL A 60 -3.271 11.327 -1.527 1.00 0.00 N ATOM 858 CA VAL A 60 -3.547 10.046 -0.888 1.00 0.00 C ATOM 859 C VAL A 60 -3.509 8.907 -1.901 1.00 0.00 C ATOM 860 O VAL A 60 -4.367 8.815 -2.779 1.00 0.00 O ATOM 861 CB VAL A 60 -4.920 10.051 -0.190 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.212 8.691 0.426 1.00 0.00 C ATOM 863 CG2 VAL A 60 -4.978 11.146 0.864 1.00 0.00 C ATOM 0 H VAL A 60 -4.067 11.964 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.768 9.891 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.686 10.256 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.186 8.714 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.216 7.931 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.443 8.452 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.955 11.135 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.202 10.974 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.818 12.115 0.391 1.00 0.00 H new ATOM 873 N CYS A 61 -2.509 8.042 -1.772 1.00 0.00 N ATOM 874 CA CYS A 61 -2.357 6.908 -2.677 1.00 0.00 C ATOM 875 C CYS A 61 -2.803 5.613 -2.005 1.00 0.00 C ATOM 876 O CYS A 61 -2.459 5.351 -0.853 1.00 0.00 O ATOM 877 CB CYS A 61 -0.903 6.785 -3.135 1.00 0.00 C ATOM 878 SG CYS A 61 -0.281 8.237 -4.014 1.00 0.00 S ATOM 0 H CYS A 61 -1.791 8.104 -1.050 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.990 7.082 -3.547 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.273 6.603 -2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.810 5.914 -3.783 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.529 9.306 -3.317 1.00 0.00 H new ATOM 884 N GLU A 62 -3.572 4.810 -2.733 1.00 0.00 N ATOM 885 CA GLU A 62 -4.067 3.543 -2.205 1.00 0.00 C ATOM 886 C GLU A 62 -3.717 2.390 -3.141 1.00 0.00 C ATOM 887 O GLU A 62 -4.102 2.385 -4.311 1.00 0.00 O ATOM 888 CB GLU A 62 -5.582 3.607 -2.001 1.00 0.00 C ATOM 889 CG GLU A 62 -6.082 2.724 -0.871 1.00 0.00 C ATOM 890 CD GLU A 62 -7.529 2.309 -1.051 1.00 0.00 C ATOM 891 OE1 GLU A 62 -8.369 3.191 -1.324 1.00 0.00 O ATOM 892 OE2 GLU A 62 -7.821 1.102 -0.919 1.00 0.00 O ATOM 0 H GLU A 62 -3.866 5.013 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.585 3.367 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.870 4.639 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.077 3.313 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.458 1.833 -0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.975 3.255 0.075 1.00 0.00 H new ATOM 899 N LEU A 63 -2.983 1.414 -2.618 1.00 0.00 N ATOM 900 CA LEU A 63 -2.579 0.254 -3.406 1.00 0.00 C ATOM 901 C LEU A 63 -3.377 -0.982 -3.004 1.00 0.00 C ATOM 902 O LEU A 63 -3.199 -1.519 -1.912 1.00 0.00 O ATOM 903 CB LEU A 63 -1.083 -0.011 -3.229 1.00 0.00 C ATOM 904 CG LEU A 63 -0.533 -1.251 -3.935 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.402 -1.000 -5.429 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.809 -1.653 -3.340 1.00 0.00 C ATOM 0 H LEU A 63 -2.655 1.402 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.782 0.469 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.535 0.860 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.874 -0.102 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.234 -2.072 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.009 -1.893 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.381 -0.761 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.278 -0.165 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.185 -2.537 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.519 -0.835 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.685 -1.875 -2.280 1.00 0.00 H new ATOM 918 N GLN A 64 -4.257 -1.427 -3.896 1.00 0.00 N ATOM 919 CA GLN A 64 -5.081 -2.601 -3.634 1.00 0.00 C ATOM 920 C GLN A 64 -4.462 -3.850 -4.253 1.00 0.00 C ATOM 921 O GLN A 64 -4.226 -3.904 -5.461 1.00 0.00 O ATOM 922 CB GLN A 64 -6.493 -2.391 -4.184 1.00 0.00 C ATOM 923 CG GLN A 64 -7.438 -1.725 -3.196 1.00 0.00 C ATOM 924 CD GLN A 64 -8.892 -1.852 -3.603 1.00 0.00 C ATOM 925 OE1 GLN A 64 -9.277 -1.460 -4.705 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.710 -2.403 -2.713 1.00 0.00 N ATOM 0 H GLN A 64 -4.417 -0.993 -4.805 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.136 -2.742 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.436 -1.782 -5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.907 -3.356 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.300 -2.170 -2.211 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.180 -0.670 -3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.348 -2.714 -1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.700 -2.515 -2.931 1.00 0.00 H new ATOM 935 N ILE A 65 -4.202 -4.851 -3.419 1.00 0.00 N ATOM 936 CA ILE A 65 -3.611 -6.099 -3.885 1.00 0.00 C ATOM 937 C ILE A 65 -4.667 -7.192 -4.014 1.00 0.00 C ATOM 938 O ILE A 65 -5.026 -7.842 -3.031 1.00 0.00 O ATOM 939 CB ILE A 65 -2.499 -6.584 -2.937 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.417 -5.511 -2.794 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.898 -7.885 -3.448 1.00 0.00 C ATOM 942 CD1 ILE A 65 -0.668 -5.581 -1.482 1.00 0.00 C ATOM 0 H ILE A 65 -4.391 -4.822 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.178 -5.897 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.934 -6.768 -1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.707 -5.611 -3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.877 -4.527 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.113 -8.215 -2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.675 -8.648 -3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.475 -7.725 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.083 -4.792 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.368 -5.451 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.179 -6.551 -1.394 1.00 0.00 H new ATOM 954 N HIS A 66 -5.159 -7.392 -5.232 1.00 0.00 N ATOM 955 CA HIS A 66 -6.172 -8.409 -5.491 1.00 0.00 C ATOM 956 C HIS A 66 -5.581 -9.809 -5.362 1.00 0.00 C ATOM 957 O HIS A 66 -4.535 -10.107 -5.937 1.00 0.00 O ATOM 958 CB HIS A 66 -6.771 -8.221 -6.885 1.00 0.00 C ATOM 959 CG HIS A 66 -7.480 -6.914 -7.061 1.00 0.00 C ATOM 960 ND1 HIS A 66 -8.708 -6.642 -6.496 1.00 0.00 N ATOM 961 CD2 HIS A 66 -7.127 -5.799 -7.743 1.00 0.00 C ATOM 962 CE1 HIS A 66 -9.080 -5.417 -6.824 1.00 0.00 C ATOM 963 NE2 HIS A 66 -8.138 -4.884 -7.580 1.00 0.00 N ATOM 0 H HIS A 66 -4.873 -6.863 -6.056 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.962 -8.297 -4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -5.975 -8.296 -7.626 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.470 -9.034 -7.084 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -9.245 -7.286 -5.915 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.219 -5.656 -8.310 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.998 -4.934 -6.525 1.00 0.00 H new ATOM 971 N GLY A 67 -6.259 -10.666 -4.604 1.00 0.00 N ATOM 972 CA GLY A 67 -5.785 -12.024 -4.414 1.00 0.00 C ATOM 973 C GLY A 67 -4.499 -12.082 -3.614 1.00 0.00 C ATOM 974 O GLY A 67 -3.438 -12.401 -4.152 1.00 0.00 O ATOM 0 H GLY A 67 -7.128 -10.444 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.553 -12.606 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.626 -12.489 -5.387 1.00 0.00 H new ATOM 978 N LEU A 68 -4.591 -11.773 -2.325 1.00 0.00 N ATOM 979 CA LEU A 68 -3.425 -11.789 -1.449 1.00 0.00 C ATOM 980 C LEU A 68 -2.686 -13.120 -1.550 1.00 0.00 C ATOM 981 O LEU A 68 -3.149 -14.049 -2.211 1.00 0.00 O ATOM 982 CB LEU A 68 -3.847 -11.537 0.000 1.00 0.00 C ATOM 983 CG LEU A 68 -3.913 -10.072 0.433 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.881 -9.902 1.594 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.529 -9.565 0.812 1.00 0.00 C ATOM 0 H LEU A 68 -5.461 -11.508 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.751 -10.994 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.828 -11.986 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.150 -12.058 0.657 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.277 -9.481 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.915 -8.853 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.876 -10.226 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.547 -10.505 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.595 -8.521 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.137 -10.160 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.863 -9.650 -0.046 1.00 0.00 H new ATOM 997 N ALA A 69 -1.537 -13.205 -0.889 1.00 0.00 N ATOM 998 CA ALA A 69 -0.737 -14.424 -0.902 1.00 0.00 C ATOM 999 C ALA A 69 0.346 -14.381 0.172 1.00 0.00 C ATOM 1000 O ALA A 69 0.620 -13.328 0.748 1.00 0.00 O ATOM 1001 CB ALA A 69 -0.114 -14.633 -2.274 1.00 0.00 C ATOM 0 H ALA A 69 -1.139 -12.445 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.396 -15.264 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.480 -15.547 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.902 -14.717 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.527 -13.785 -2.516 1.00 0.00 H new ATOM 1007 N MET A 70 0.957 -15.531 0.435 1.00 0.00 N ATOM 1008 CA MET A 70 2.011 -15.623 1.440 1.00 0.00 C ATOM 1009 C MET A 70 3.248 -14.846 1.002 1.00 0.00 C ATOM 1010 O MET A 70 3.589 -13.820 1.591 1.00 0.00 O ATOM 1011 CB MET A 70 2.376 -17.087 1.693 1.00 0.00 C ATOM 1012 CG MET A 70 1.273 -17.879 2.375 1.00 0.00 C ATOM 1013 SD MET A 70 1.377 -17.808 4.174 1.00 0.00 S ATOM 1014 CE MET A 70 0.109 -16.597 4.538 1.00 0.00 C ATOM 0 H MET A 70 0.741 -16.411 -0.033 1.00 0.00 H new ATOM 0 HA MET A 70 1.637 -15.184 2.365 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.619 -17.562 0.742 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.275 -17.128 2.308 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.304 -17.495 2.056 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.325 -18.919 2.053 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.111 -16.610 5.606 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.460 -15.606 4.252 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.795 -16.838 3.979 1.00 0.00 H new ATOM 1024 N ALA A 71 3.918 -15.342 -0.033 1.00 0.00 N ATOM 1025 CA ALA A 71 5.116 -14.693 -0.549 1.00 0.00 C ATOM 1026 C ALA A 71 4.906 -13.190 -0.699 1.00 0.00 C ATOM 1027 O ALA A 71 5.866 -12.421 -0.750 1.00 0.00 O ATOM 1028 CB ALA A 71 5.516 -15.307 -1.883 1.00 0.00 C ATOM 0 H ALA A 71 3.651 -16.191 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 71 5.922 -14.851 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.413 -14.813 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.717 -16.370 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.705 -15.179 -2.600 1.00 0.00 H new ATOM 1034 N ASP A 72 3.645 -12.778 -0.770 1.00 0.00 N ATOM 1035 CA ASP A 72 3.308 -11.367 -0.914 1.00 0.00 C ATOM 1036 C ASP A 72 3.165 -10.700 0.451 1.00 0.00 C ATOM 1037 O ASP A 72 2.459 -9.703 0.595 1.00 0.00 O ATOM 1038 CB ASP A 72 2.012 -11.208 -1.711 1.00 0.00 C ATOM 1039 CG ASP A 72 2.247 -11.228 -3.208 1.00 0.00 C ATOM 1040 OD1 ASP A 72 3.040 -12.073 -3.673 1.00 0.00 O ATOM 1041 OD2 ASP A 72 1.639 -10.397 -3.915 1.00 0.00 O ATOM 0 H ASP A 72 2.839 -13.402 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 72 4.119 -10.879 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.324 -12.010 -1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.531 -10.270 -1.434 1.00 0.00 H new ATOM 1046 N ASN A 73 3.840 -11.259 1.450 1.00 0.00 N ATOM 1047 CA ASN A 73 3.787 -10.720 2.804 1.00 0.00 C ATOM 1048 C ASN A 73 5.171 -10.274 3.267 1.00 0.00 C ATOM 1049 O ASN A 73 6.187 -10.691 2.712 1.00 0.00 O ATOM 1050 CB ASN A 73 3.227 -11.766 3.770 1.00 0.00 C ATOM 1051 CG ASN A 73 4.166 -12.942 3.957 1.00 0.00 C ATOM 1052 OD1 ASN A 73 5.384 -12.800 3.855 1.00 0.00 O ATOM 1053 ND2 ASN A 73 3.601 -14.112 4.233 1.00 0.00 N ATOM 0 H ASN A 73 4.430 -12.085 1.347 1.00 0.00 H new ATOM 0 HA ASN A 73 3.128 -9.852 2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.037 -11.299 4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.269 -12.126 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.182 -14.939 4.370 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.586 -14.183 4.308 1.00 0.00 H new ATOM 1060 N GLY A 74 5.202 -9.423 4.288 1.00 0.00 N ATOM 1061 CA GLY A 74 6.466 -8.935 4.809 1.00 0.00 C ATOM 1062 C GLY A 74 6.507 -7.423 4.906 1.00 0.00 C ATOM 1063 O GLY A 74 5.780 -6.824 5.699 1.00 0.00 O ATOM 0 H GLY A 74 4.375 -9.063 4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.639 -9.364 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.277 -9.277 4.166 1.00 0.00 H new ATOM 1067 N VAL A 75 7.362 -6.803 4.098 1.00 0.00 N ATOM 1068 CA VAL A 75 7.496 -5.351 4.097 1.00 0.00 C ATOM 1069 C VAL A 75 7.540 -4.804 2.675 1.00 0.00 C ATOM 1070 O VAL A 75 8.427 -5.148 1.893 1.00 0.00 O ATOM 1071 CB VAL A 75 8.765 -4.904 4.846 1.00 0.00 C ATOM 1072 CG1 VAL A 75 8.859 -3.386 4.881 1.00 0.00 C ATOM 1073 CG2 VAL A 75 8.783 -5.479 6.255 1.00 0.00 C ATOM 0 H VAL A 75 7.972 -7.283 3.436 1.00 0.00 H new ATOM 0 HA VAL A 75 6.621 -4.952 4.610 1.00 0.00 H new ATOM 0 HB VAL A 75 9.634 -5.286 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.762 -3.090 5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.896 -3.000 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.986 -2.979 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.687 -5.153 6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.908 -5.129 6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.767 -6.568 6.204 1.00 0.00 H new ATOM 1083 N TYR A 76 6.577 -3.950 2.345 1.00 0.00 N ATOM 1084 CA TYR A 76 6.505 -3.357 1.015 1.00 0.00 C ATOM 1085 C TYR A 76 7.245 -2.024 0.973 1.00 0.00 C ATOM 1086 O TYR A 76 7.732 -1.538 1.994 1.00 0.00 O ATOM 1087 CB TYR A 76 5.045 -3.156 0.603 1.00 0.00 C ATOM 1088 CG TYR A 76 4.365 -4.426 0.145 1.00 0.00 C ATOM 1089 CD1 TYR A 76 4.018 -5.418 1.054 1.00 0.00 C ATOM 1090 CD2 TYR A 76 4.070 -4.635 -1.197 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.397 -6.580 0.641 1.00 0.00 C ATOM 1092 CE2 TYR A 76 3.448 -5.794 -1.619 1.00 0.00 C ATOM 1093 CZ TYR A 76 3.114 -6.764 -0.697 1.00 0.00 C ATOM 1094 OH TYR A 76 2.495 -7.920 -1.114 1.00 0.00 O ATOM 0 H TYR A 76 5.836 -3.653 2.980 1.00 0.00 H new ATOM 0 HA TYR A 76 6.984 -4.040 0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.492 -2.741 1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.001 -2.420 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.238 -5.278 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.331 -3.879 -1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.134 -7.341 1.361 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.224 -5.940 -2.665 1.00 0.00 H new ATOM 0 HH TYR A 76 2.132 -8.395 -0.338 1.00 0.00 H new ATOM 1104 N SER A 77 7.325 -1.437 -0.217 1.00 0.00 N ATOM 1105 CA SER A 77 8.009 -0.161 -0.396 1.00 0.00 C ATOM 1106 C SER A 77 7.298 0.695 -1.440 1.00 0.00 C ATOM 1107 O SER A 77 6.591 0.178 -2.305 1.00 0.00 O ATOM 1108 CB SER A 77 9.463 -0.391 -0.813 1.00 0.00 C ATOM 1109 OG SER A 77 10.106 -1.301 0.062 1.00 0.00 O ATOM 0 H SER A 77 6.925 -1.824 -1.071 1.00 0.00 H new ATOM 0 HA SER A 77 7.991 0.369 0.556 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.496 -0.776 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.999 0.558 -0.814 1.00 0.00 H new ATOM 0 HG SER A 77 11.033 -1.432 -0.226 1.00 0.00 H new ATOM 1115 N CYS A 78 7.490 2.006 -1.351 1.00 0.00 N ATOM 1116 CA CYS A 78 6.867 2.936 -2.287 1.00 0.00 C ATOM 1117 C CYS A 78 7.793 4.111 -2.584 1.00 0.00 C ATOM 1118 O CYS A 78 8.133 4.888 -1.691 1.00 0.00 O ATOM 1119 CB CYS A 78 5.540 3.446 -1.724 1.00 0.00 C ATOM 1120 SG CYS A 78 4.519 4.330 -2.926 1.00 0.00 S ATOM 0 H CYS A 78 8.072 2.450 -0.640 1.00 0.00 H new ATOM 0 HA CYS A 78 6.677 2.403 -3.218 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.974 2.600 -1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.745 4.107 -0.882 1.00 0.00 H new ATOM 0 HG CYS A 78 3.473 3.615 -3.216 1.00 0.00 H new ATOM 1126 N VAL A 79 8.199 4.234 -3.843 1.00 0.00 N ATOM 1127 CA VAL A 79 9.087 5.314 -4.258 1.00 0.00 C ATOM 1128 C VAL A 79 8.323 6.389 -5.024 1.00 0.00 C ATOM 1129 O VAL A 79 7.889 6.168 -6.156 1.00 0.00 O ATOM 1130 CB VAL A 79 10.236 4.789 -5.139 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.170 5.924 -5.530 1.00 0.00 C ATOM 1132 CG2 VAL A 79 10.996 3.685 -4.420 1.00 0.00 C ATOM 0 H VAL A 79 7.927 3.599 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 79 9.505 5.747 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 79 9.810 4.371 -6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.976 5.534 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.613 6.678 -6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.591 6.375 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.804 3.325 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.412 4.075 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.317 2.862 -4.196 1.00 0.00 H new ATOM 1142 N CYS A 80 8.164 7.551 -4.402 1.00 0.00 N ATOM 1143 CA CYS A 80 7.453 8.661 -5.025 1.00 0.00 C ATOM 1144 C CYS A 80 8.392 9.488 -5.897 1.00 0.00 C ATOM 1145 O CYS A 80 8.040 9.879 -7.009 1.00 0.00 O ATOM 1146 CB CYS A 80 6.815 9.550 -3.956 1.00 0.00 C ATOM 1147 SG CYS A 80 7.996 10.263 -2.788 1.00 0.00 S ATOM 0 H CYS A 80 8.518 7.749 -3.466 1.00 0.00 H new ATOM 0 HA CYS A 80 6.669 8.247 -5.659 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.273 10.358 -4.447 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.081 8.964 -3.402 1.00 0.00 H new ATOM 0 HG CYS A 80 8.358 9.357 -1.929 1.00 0.00 H new ATOM 1153 N GLY A 81 9.590 9.752 -5.382 1.00 0.00 N ATOM 1154 CA GLY A 81 10.561 10.533 -6.126 1.00 0.00 C ATOM 1155 C GLY A 81 11.859 10.720 -5.366 1.00 0.00 C ATOM 1156 O GLY A 81 12.920 10.303 -5.828 1.00 0.00 O ATOM 0 H GLY A 81 9.905 9.439 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.768 10.041 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.136 11.509 -6.359 1.00 0.00 H new ATOM 1160 N GLN A 82 11.774 11.350 -4.199 1.00 0.00 N ATOM 1161 CA GLN A 82 12.953 11.593 -3.376 1.00 0.00 C ATOM 1162 C GLN A 82 12.940 10.709 -2.133 1.00 0.00 C ATOM 1163 O GLN A 82 13.975 10.183 -1.725 1.00 0.00 O ATOM 1164 CB GLN A 82 13.021 13.066 -2.968 1.00 0.00 C ATOM 1165 CG GLN A 82 13.511 13.982 -4.077 1.00 0.00 C ATOM 1166 CD GLN A 82 12.854 13.686 -5.411 1.00 0.00 C ATOM 1167 OE1 GLN A 82 11.644 13.846 -5.569 1.00 0.00 O ATOM 1168 NE2 GLN A 82 13.652 13.253 -6.380 1.00 0.00 N ATOM 0 H GLN A 82 10.902 11.701 -3.802 1.00 0.00 H new ATOM 0 HA GLN A 82 13.835 11.346 -3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.031 13.392 -2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.682 13.166 -2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.314 15.018 -3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.591 13.879 -4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.650 13.135 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.267 13.039 -7.300 1.00 0.00 H new ATOM 1177 N GLU A 83 11.763 10.551 -1.537 1.00 0.00 N ATOM 1178 CA GLU A 83 11.617 9.731 -0.340 1.00 0.00 C ATOM 1179 C GLU A 83 10.786 8.485 -0.632 1.00 0.00 C ATOM 1180 O GLU A 83 9.833 8.530 -1.410 1.00 0.00 O ATOM 1181 CB GLU A 83 10.967 10.540 0.784 1.00 0.00 C ATOM 1182 CG GLU A 83 11.719 11.814 1.130 1.00 0.00 C ATOM 1183 CD GLU A 83 11.550 12.215 2.583 1.00 0.00 C ATOM 1184 OE1 GLU A 83 10.489 11.903 3.164 1.00 0.00 O ATOM 1185 OE2 GLU A 83 12.477 12.839 3.139 1.00 0.00 O ATOM 0 H GLU A 83 10.897 10.980 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 83 12.611 9.417 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.948 10.797 0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.896 9.916 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.779 11.675 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.368 12.624 0.490 1.00 0.00 H new ATOM 1192 N ARG A 84 11.154 7.374 -0.002 1.00 0.00 N ATOM 1193 CA ARG A 84 10.444 6.116 -0.194 1.00 0.00 C ATOM 1194 C ARG A 84 10.123 5.461 1.146 1.00 0.00 C ATOM 1195 O ARG A 84 11.024 5.107 1.908 1.00 0.00 O ATOM 1196 CB ARG A 84 11.276 5.162 -1.053 1.00 0.00 C ATOM 1197 CG ARG A 84 12.390 4.467 -0.287 1.00 0.00 C ATOM 1198 CD ARG A 84 13.572 4.149 -1.189 1.00 0.00 C ATOM 1199 NE ARG A 84 14.825 4.075 -0.442 1.00 0.00 N ATOM 1200 CZ ARG A 84 15.102 3.118 0.437 1.00 0.00 C ATOM 1201 NH1 ARG A 84 14.218 2.159 0.678 1.00 0.00 N ATOM 1202 NH2 ARG A 84 16.264 3.118 1.076 1.00 0.00 N ATOM 0 H ARG A 84 11.940 7.320 0.646 1.00 0.00 H new ATOM 0 HA ARG A 84 9.507 6.333 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.618 4.408 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.710 5.719 -1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.719 5.102 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.010 3.546 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.396 3.201 -1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.655 4.914 -1.961 1.00 0.00 H new ATOM 0 HE ARG A 84 15.526 4.798 -0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.323 2.155 0.188 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.433 1.425 1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.947 3.853 0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.475 2.383 1.751 1.00 0.00 H new ATOM 1216 N THR A 85 8.834 5.304 1.429 1.00 0.00 N ATOM 1217 CA THR A 85 8.394 4.695 2.678 1.00 0.00 C ATOM 1218 C THR A 85 8.177 3.195 2.511 1.00 0.00 C ATOM 1219 O THR A 85 8.227 2.671 1.399 1.00 0.00 O ATOM 1220 CB THR A 85 7.090 5.337 3.188 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.731 4.776 4.456 1.00 0.00 O ATOM 1222 CG2 THR A 85 5.958 5.124 2.195 1.00 0.00 C ATOM 0 H THR A 85 8.076 5.590 0.810 1.00 0.00 H new ATOM 0 HA THR A 85 9.184 4.867 3.409 1.00 0.00 H new ATOM 0 HB THR A 85 7.258 6.408 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.393 5.484 5.043 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.047 5.586 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.222 5.577 1.240 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.792 4.056 2.056 1.00 0.00 H new ATOM 1230 N SER A 86 7.936 2.509 3.624 1.00 0.00 N ATOM 1231 CA SER A 86 7.714 1.068 3.601 1.00 0.00 C ATOM 1232 C SER A 86 6.774 0.645 4.726 1.00 0.00 C ATOM 1233 O SER A 86 6.881 1.127 5.853 1.00 0.00 O ATOM 1234 CB SER A 86 9.045 0.324 3.727 1.00 0.00 C ATOM 1235 OG SER A 86 9.918 0.657 2.662 1.00 0.00 O ATOM 0 H SER A 86 7.890 2.928 4.553 1.00 0.00 H new ATOM 0 HA SER A 86 7.251 0.812 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.515 0.573 4.678 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.865 -0.751 3.732 1.00 0.00 H new ATOM 0 HG SER A 86 9.858 -0.028 1.964 1.00 0.00 H new ATOM 1241 N ALA A 87 5.852 -0.258 4.409 1.00 0.00 N ATOM 1242 CA ALA A 87 4.894 -0.748 5.392 1.00 0.00 C ATOM 1243 C ALA A 87 5.026 -2.255 5.584 1.00 0.00 C ATOM 1244 O ALA A 87 5.778 -2.919 4.869 1.00 0.00 O ATOM 1245 CB ALA A 87 3.476 -0.390 4.971 1.00 0.00 C ATOM 0 H ALA A 87 5.748 -0.665 3.479 1.00 0.00 H new ATOM 0 HA ALA A 87 5.111 -0.266 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.771 -0.762 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.382 0.693 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.258 -0.844 4.005 1.00 0.00 H new ATOM 1251 N THR A 88 4.291 -2.791 6.553 1.00 0.00 N ATOM 1252 CA THR A 88 4.327 -4.219 6.840 1.00 0.00 C ATOM 1253 C THR A 88 2.966 -4.862 6.604 1.00 0.00 C ATOM 1254 O THR A 88 1.977 -4.499 7.243 1.00 0.00 O ATOM 1255 CB THR A 88 4.766 -4.489 8.292 1.00 0.00 C ATOM 1256 OG1 THR A 88 5.956 -3.752 8.590 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.013 -5.974 8.515 1.00 0.00 C ATOM 0 H THR A 88 3.663 -2.256 7.153 1.00 0.00 H new ATOM 0 HA THR A 88 5.056 -4.660 6.160 1.00 0.00 H new ATOM 0 HB THR A 88 3.964 -4.166 8.956 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.227 -3.928 9.515 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.322 -6.141 9.547 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.096 -6.529 8.317 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.798 -6.317 7.841 1.00 0.00 H new ATOM 1265 N LEU A 89 2.920 -5.820 5.684 1.00 0.00 N ATOM 1266 CA LEU A 89 1.679 -6.515 5.364 1.00 0.00 C ATOM 1267 C LEU A 89 1.792 -8.003 5.678 1.00 0.00 C ATOM 1268 O LEU A 89 2.413 -8.761 4.932 1.00 0.00 O ATOM 1269 CB LEU A 89 1.326 -6.318 3.889 1.00 0.00 C ATOM 1270 CG LEU A 89 0.111 -7.093 3.380 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -1.177 -6.393 3.786 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.177 -7.257 1.868 1.00 0.00 C ATOM 0 H LEU A 89 3.729 -6.133 5.147 1.00 0.00 H new ATOM 0 HA LEU A 89 0.885 -6.092 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.153 -5.256 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.190 -6.602 3.288 1.00 0.00 H new ATOM 0 HG LEU A 89 0.121 -8.084 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.031 -6.959 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.229 -6.328 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.195 -5.389 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.696 -7.811 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.193 -6.275 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.082 -7.803 1.600 1.00 0.00 H new ATOM 1284 N THR A 90 1.186 -8.417 6.786 1.00 0.00 N ATOM 1285 CA THR A 90 1.217 -9.815 7.198 1.00 0.00 C ATOM 1286 C THR A 90 0.043 -10.588 6.609 1.00 0.00 C ATOM 1287 O THR A 90 -1.113 -10.194 6.764 1.00 0.00 O ATOM 1288 CB THR A 90 1.188 -9.949 8.733 1.00 0.00 C ATOM 1289 OG1 THR A 90 2.440 -9.528 9.285 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.904 -11.386 9.145 1.00 0.00 C ATOM 0 H THR A 90 0.667 -7.804 7.415 1.00 0.00 H new ATOM 0 HA THR A 90 2.150 -10.235 6.822 1.00 0.00 H new ATOM 0 HB THR A 90 0.390 -9.313 9.116 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.413 -9.615 10.261 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.888 -11.456 10.233 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.063 -11.694 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.683 -12.038 8.750 1.00 0.00 H new ATOM 1298 N VAL A 91 0.346 -11.693 5.934 1.00 0.00 N ATOM 1299 CA VAL A 91 -0.685 -12.523 5.323 1.00 0.00 C ATOM 1300 C VAL A 91 -0.796 -13.869 6.030 1.00 0.00 C ATOM 1301 O VAL A 91 0.212 -14.503 6.342 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.400 -12.762 3.829 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -1.475 -13.646 3.215 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.300 -11.438 3.087 1.00 0.00 C ATOM 0 H VAL A 91 1.298 -12.034 5.797 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.627 -11.984 5.424 1.00 0.00 H new ATOM 0 HB VAL A 91 0.556 -13.277 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.257 -13.804 2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.493 -14.607 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.446 -13.162 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.098 -11.626 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.239 -10.894 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.509 -10.844 3.511 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.029 -14.300 6.280 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.272 -15.571 6.951 1.00 0.00 C ATOM 1316 C ARG A 92 -3.033 -16.529 6.039 1.00 0.00 C ATOM 1317 O ARG A 92 -4.026 -16.153 5.417 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.059 -15.347 8.244 1.00 0.00 C ATOM 1319 CG ARG A 92 -2.263 -14.634 9.325 1.00 0.00 C ATOM 1320 CD ARG A 92 -3.124 -14.329 10.540 1.00 0.00 C ATOM 1321 NE ARG A 92 -2.329 -14.211 11.759 1.00 0.00 N ATOM 1322 CZ ARG A 92 -1.775 -15.247 12.379 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -1.929 -16.472 11.896 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -1.064 -15.059 13.484 1.00 0.00 N ATOM 0 H ARG A 92 -2.874 -13.788 6.028 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.307 -16.016 7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.953 -14.765 8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.394 -16.311 8.627 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.417 -15.253 9.623 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.854 -13.706 8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.671 -13.401 10.373 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.866 -15.118 10.666 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.191 -13.282 12.156 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.474 -16.621 11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.503 -17.266 12.374 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.942 -14.118 13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.639 -15.856 13.959 1.00 0.00 H new ATOM 1338 N ALA A 93 -2.560 -17.769 5.966 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.196 -18.782 5.132 1.00 0.00 C ATOM 1340 C ALA A 93 -4.570 -19.157 5.677 1.00 0.00 C ATOM 1341 O ALA A 93 -4.756 -19.284 6.888 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.311 -20.015 5.032 1.00 0.00 C ATOM 0 H ALA A 93 -1.739 -18.096 6.474 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.331 -18.364 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.798 -20.763 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.353 -19.741 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.146 -20.426 6.028 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.531 -19.331 4.776 1.00 0.00 N ATOM 1349 CA LEU A 94 -6.890 -19.692 5.166 1.00 0.00 C ATOM 1350 C LEU A 94 -6.961 -21.150 5.606 1.00 0.00 C ATOM 1351 O LEU A 94 -6.205 -22.003 5.140 1.00 0.00 O ATOM 1352 CB LEU A 94 -7.856 -19.449 4.005 1.00 0.00 C ATOM 1353 CG LEU A 94 -8.229 -17.991 3.736 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -8.537 -17.783 2.261 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -9.415 -17.577 4.594 1.00 0.00 C ATOM 0 H LEU A 94 -5.394 -19.228 3.770 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.179 -19.064 6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.415 -19.863 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.772 -20.008 4.198 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.378 -17.363 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.801 -16.740 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.660 -18.039 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.372 -18.421 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.667 -16.536 4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.271 -18.210 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.158 -17.688 5.648 1.00 0.00 H new ATOM 1367 N PRO A 95 -7.893 -21.447 6.525 1.00 0.00 N ATOM 1368 CA PRO A 95 -8.087 -22.803 7.046 1.00 0.00 C ATOM 1369 C PRO A 95 -8.676 -23.746 6.002 1.00 0.00 C ATOM 1370 O PRO A 95 -9.162 -23.308 4.960 1.00 0.00 O ATOM 1371 CB PRO A 95 -9.072 -22.601 8.200 1.00 0.00 C ATOM 1372 CG PRO A 95 -9.810 -21.354 7.856 1.00 0.00 C ATOM 1373 CD PRO A 95 -8.828 -20.481 7.125 1.00 0.00 C ATOM 0 HA PRO A 95 -7.146 -23.263 7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.750 -23.449 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.551 -22.502 9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.677 -21.573 7.233 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.180 -20.859 8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.319 -19.872 6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.318 -19.796 7.802 1.00 0.00 H new ATOM 1381 N ALA A 96 -8.629 -25.043 6.290 1.00 0.00 N ATOM 1382 CA ALA A 96 -9.160 -26.047 5.377 1.00 0.00 C ATOM 1383 C ALA A 96 -10.626 -26.342 5.677 1.00 0.00 C ATOM 1384 O ALA A 96 -10.951 -26.942 6.701 1.00 0.00 O ATOM 1385 CB ALA A 96 -8.336 -27.324 5.459 1.00 0.00 C ATOM 0 H ALA A 96 -8.229 -25.422 7.148 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.096 -25.650 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.744 -28.065 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.302 -27.108 5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.370 -27.715 6.476 1.00 0.00 H new ATOM 1391 N ARG A 97 -11.506 -25.915 4.778 1.00 0.00 N ATOM 1392 CA ARG A 97 -12.938 -26.131 4.948 1.00 0.00 C ATOM 1393 C ARG A 97 -13.311 -27.576 4.627 1.00 0.00 C ATOM 1394 O ARG A 97 -13.876 -28.282 5.463 1.00 0.00 O ATOM 1395 CB ARG A 97 -13.730 -25.178 4.051 1.00 0.00 C ATOM 1396 CG ARG A 97 -15.232 -25.406 4.095 1.00 0.00 C ATOM 1397 CD ARG A 97 -15.877 -24.650 5.246 1.00 0.00 C ATOM 1398 NE ARG A 97 -15.860 -23.206 5.031 1.00 0.00 N ATOM 1399 CZ ARG A 97 -16.205 -22.320 5.958 1.00 0.00 C ATOM 1400 NH1 ARG A 97 -16.592 -22.730 7.159 1.00 0.00 N ATOM 1401 NH2 ARG A 97 -16.164 -21.022 5.686 1.00 0.00 N ATOM 0 H ARG A 97 -11.253 -25.417 3.924 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.189 -25.931 5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.518 -24.151 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.384 -25.289 3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -15.677 -25.086 3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -15.436 -26.472 4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.907 -24.986 5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -15.353 -24.885 6.172 1.00 0.00 H new ATOM 0 HE ARG A 97 -15.567 -22.858 4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.625 -23.727 7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -16.857 -22.048 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -15.867 -20.703 4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.429 -20.343 6.399 1.00 0.00 H new ATOM 1415 N PHE A 98 -12.993 -28.008 3.412 1.00 0.00 N ATOM 1416 CA PHE A 98 -13.296 -29.367 2.980 1.00 0.00 C ATOM 1417 C PHE A 98 -12.426 -30.380 3.720 1.00 0.00 C ATOM 1418 O PHE A 98 -11.199 -30.348 3.622 1.00 0.00 O ATOM 1419 CB PHE A 98 -13.086 -29.504 1.470 1.00 0.00 C ATOM 1420 CG PHE A 98 -11.780 -28.937 0.993 1.00 0.00 C ATOM 1421 CD1 PHE A 98 -10.639 -29.724 0.958 1.00 0.00 C ATOM 1422 CD2 PHE A 98 -11.692 -27.618 0.578 1.00 0.00 C ATOM 1423 CE1 PHE A 98 -9.436 -29.204 0.520 1.00 0.00 C ATOM 1424 CE2 PHE A 98 -10.491 -27.093 0.139 1.00 0.00 C ATOM 1425 CZ PHE A 98 -9.362 -27.888 0.109 1.00 0.00 C ATOM 0 H PHE A 98 -12.525 -27.436 2.708 1.00 0.00 H new ATOM 0 HA PHE A 98 -14.341 -29.572 3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -13.136 -30.558 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -13.902 -29.002 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -10.691 -30.755 1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -12.572 -26.993 0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.554 -29.827 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -10.436 -26.063 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 98 -8.423 -27.481 -0.235 1.00 0.00 H new ATOM 1435 N ILE A 99 -13.071 -31.276 4.459 1.00 0.00 N ATOM 1436 CA ILE A 99 -12.358 -32.297 5.215 1.00 0.00 C ATOM 1437 C ILE A 99 -12.041 -33.507 4.342 1.00 0.00 C ATOM 1438 O ILE A 99 -12.799 -33.843 3.432 1.00 0.00 O ATOM 1439 CB ILE A 99 -13.168 -32.761 6.440 1.00 0.00 C ATOM 1440 CG1 ILE A 99 -14.510 -33.348 5.998 1.00 0.00 C ATOM 1441 CG2 ILE A 99 -13.382 -31.602 7.403 1.00 0.00 C ATOM 1442 CD1 ILE A 99 -15.147 -34.247 7.034 1.00 0.00 C ATOM 0 H ILE A 99 -14.086 -31.315 4.550 1.00 0.00 H new ATOM 0 HA ILE A 99 -11.427 -31.843 5.556 1.00 0.00 H new ATOM 0 HB ILE A 99 -12.605 -33.538 6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.195 -32.533 5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.364 -33.914 5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -13.956 -31.945 8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -12.416 -31.224 7.738 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.928 -30.805 6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -16.095 -34.627 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -14.481 -35.083 7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -15.325 -33.680 7.948 1.00 0.00 H new ATOM 1454 N GLU A 100 -10.918 -34.158 4.626 1.00 0.00 N ATOM 1455 CA GLU A 100 -10.502 -35.331 3.866 1.00 0.00 C ATOM 1456 C GLU A 100 -10.817 -36.614 4.631 1.00 0.00 C ATOM 1457 O GLU A 100 -10.677 -36.671 5.852 1.00 0.00 O ATOM 1458 CB GLU A 100 -9.005 -35.263 3.559 1.00 0.00 C ATOM 1459 CG GLU A 100 -8.123 -35.438 4.784 1.00 0.00 C ATOM 1460 CD GLU A 100 -6.661 -35.160 4.494 1.00 0.00 C ATOM 1461 OE1 GLU A 100 -5.959 -36.087 4.039 1.00 0.00 O ATOM 1462 OE2 GLU A 100 -6.218 -34.015 4.724 1.00 0.00 O ATOM 0 H GLU A 100 -10.280 -33.893 5.376 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.058 -35.341 2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.757 -36.035 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.781 -34.302 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.467 -34.769 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.228 -36.456 5.160 1.00 0.00 H new ATOM 1469 N ASP A 101 -11.244 -37.639 3.902 1.00 0.00 N ATOM 1470 CA ASP A 101 -11.580 -38.922 4.510 1.00 0.00 C ATOM 1471 C ASP A 101 -10.810 -40.057 3.843 1.00 0.00 C ATOM 1472 O ASP A 101 -11.073 -40.408 2.693 1.00 0.00 O ATOM 1473 CB ASP A 101 -13.084 -39.181 4.409 1.00 0.00 C ATOM 1474 CG ASP A 101 -13.567 -40.191 5.430 1.00 0.00 C ATOM 1475 OD1 ASP A 101 -13.540 -41.402 5.125 1.00 0.00 O ATOM 1476 OD2 ASP A 101 -13.973 -39.772 6.535 1.00 0.00 O ATOM 0 H ASP A 101 -11.366 -37.607 2.890 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.296 -38.883 5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -13.621 -38.243 4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -13.322 -39.539 3.407 1.00 0.00 H new ATOM 1481 N SER A 102 -9.856 -40.627 4.573 1.00 0.00 N ATOM 1482 CA SER A 102 -9.044 -41.720 4.050 1.00 0.00 C ATOM 1483 C SER A 102 -8.611 -41.436 2.615 1.00 0.00 C ATOM 1484 O SER A 102 -8.706 -42.300 1.744 1.00 0.00 O ATOM 1485 CB SER A 102 -9.822 -43.036 4.109 1.00 0.00 C ATOM 1486 OG SER A 102 -9.851 -43.552 5.429 1.00 0.00 O ATOM 0 H SER A 102 -9.627 -40.350 5.528 1.00 0.00 H new ATOM 0 HA SER A 102 -8.152 -41.806 4.670 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.840 -42.876 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.363 -43.764 3.440 1.00 0.00 H new ATOM 0 HG SER A 102 -10.355 -44.392 5.441 1.00 0.00 H new ATOM 1492 N GLY A 103 -8.134 -40.218 2.377 1.00 0.00 N ATOM 1493 CA GLY A 103 -7.693 -39.841 1.047 1.00 0.00 C ATOM 1494 C GLY A 103 -8.851 -39.608 0.097 1.00 0.00 C ATOM 1495 O GLY A 103 -9.974 -39.321 0.511 1.00 0.00 O ATOM 0 H GLY A 103 -8.045 -39.486 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.091 -38.935 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.049 -40.624 0.645 1.00 0.00 H new ATOM 1499 N PRO A 104 -8.581 -39.730 -1.212 1.00 0.00 N ATOM 1500 CA PRO A 104 -9.597 -39.534 -2.251 1.00 0.00 C ATOM 1501 C PRO A 104 -10.638 -40.647 -2.261 1.00 0.00 C ATOM 1502 O PRO A 104 -11.771 -40.447 -2.699 1.00 0.00 O ATOM 1503 CB PRO A 104 -8.784 -39.549 -3.548 1.00 0.00 C ATOM 1504 CG PRO A 104 -7.568 -40.346 -3.224 1.00 0.00 C ATOM 1505 CD PRO A 104 -7.265 -40.070 -1.777 1.00 0.00 C ATOM 0 HA PRO A 104 -10.165 -38.616 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.348 -40.001 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -8.523 -38.539 -3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.742 -41.409 -3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -6.731 -40.057 -3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.829 -40.939 -1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.555 -39.250 -1.664 1.00 0.00 H new ATOM 1513 N SER A 105 -10.247 -41.822 -1.777 1.00 0.00 N ATOM 1514 CA SER A 105 -11.147 -42.969 -1.734 1.00 0.00 C ATOM 1515 C SER A 105 -12.275 -42.737 -0.733 1.00 0.00 C ATOM 1516 O SER A 105 -12.115 -42.968 0.465 1.00 0.00 O ATOM 1517 CB SER A 105 -10.374 -44.236 -1.363 1.00 0.00 C ATOM 1518 OG SER A 105 -9.702 -44.771 -2.490 1.00 0.00 O ATOM 0 H SER A 105 -9.313 -42.005 -1.409 1.00 0.00 H new ATOM 0 HA SER A 105 -11.584 -43.095 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.652 -44.009 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.061 -44.979 -0.958 1.00 0.00 H new ATOM 0 HG SER A 105 -9.214 -45.579 -2.227 1.00 0.00 H new ATOM 1524 N SER A 106 -13.417 -42.278 -1.235 1.00 0.00 N ATOM 1525 CA SER A 106 -14.572 -42.010 -0.386 1.00 0.00 C ATOM 1526 C SER A 106 -15.870 -42.350 -1.112 1.00 0.00 C ATOM 1527 O SER A 106 -16.078 -41.950 -2.257 1.00 0.00 O ATOM 1528 CB SER A 106 -14.586 -40.543 0.046 1.00 0.00 C ATOM 1529 OG SER A 106 -13.384 -40.196 0.711 1.00 0.00 O ATOM 0 H SER A 106 -13.567 -42.084 -2.225 1.00 0.00 H new ATOM 0 HA SER A 106 -14.494 -42.641 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.719 -39.905 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.435 -40.363 0.705 1.00 0.00 H new ATOM 0 HG SER A 106 -13.417 -39.253 0.976 1.00 0.00 H new ATOM 1535 N GLY A 107 -16.742 -43.093 -0.437 1.00 0.00 N ATOM 1536 CA GLY A 107 -18.010 -43.475 -1.032 1.00 0.00 C ATOM 1537 C GLY A 107 -18.716 -44.561 -0.245 1.00 0.00 C ATOM 1538 O GLY A 107 -18.392 -44.805 0.918 1.00 0.00 O ATOM 0 H GLY A 107 -16.593 -43.437 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -18.656 -42.599 -1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -17.840 -43.822 -2.051 1.00 0.00 H new TER 1542 GLY A 107