USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 80 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.6!) USER MOD Set 2.1: A 66 ASN : amide:sc= -0.0024 X(o=0.25,f=0.25) USER MOD Set 2.2: A 87 SER OG : rot -53:sc= 0.248 USER MOD Set 3.1: A 53 TYR OH : rot 20:sc= -7.43! USER MOD Set 3.2: A 81 HIS : no HE2:sc= -5.47! C(o=-24!,f=-29!) USER MOD Set 3.3: A 88 HIS : no HE2:sc= -10.8! C(o=-24!,f=-27!) USER MOD Set 4.1: A 23 ASN : amide:sc= -3.59 K(o=-8.2,f=-17!) USER MOD Set 4.2: A 96 CYS SG : rot 4:sc= -4.57! USER MOD Single : A 1 SER N :NH3+ 134:sc= 0.0798 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 57:sc= -0.351 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 140:sc= -1.1 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 128:sc= -8.36! USER MOD Single : A 47 THR OG1 : rot -39:sc= 0.286 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -6.45! C(o=-6.5!,f=-11!) USER MOD Single : A 54 LYS NZ :NH3+ -126:sc= -0.904 (180deg=-4.06!) USER MOD Single : A 64 HIS : no HD1:sc= -5.28 K(o=-5.3,f=-6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0596 USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0126) USER MOD Single : A 99 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.996 4.947 3.394 1.00 0.00 N ATOM 2 CA SER A 1 10.115 3.468 3.470 1.00 0.00 C ATOM 3 C SER A 1 9.198 2.895 4.547 1.00 0.00 C ATOM 4 O SER A 1 8.823 3.592 5.489 1.00 0.00 O ATOM 5 CB SER A 1 11.571 3.110 3.773 1.00 0.00 C ATOM 6 OG SER A 1 12.314 2.939 2.578 1.00 0.00 O ATOM 0 H1 SER A 1 10.945 5.370 3.349 1.00 0.00 H new ATOM 0 H2 SER A 1 9.460 5.209 2.542 1.00 0.00 H new ATOM 0 H3 SER A 1 9.499 5.299 4.237 1.00 0.00 H new ATOM 0 HA SER A 1 9.812 3.036 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.024 3.896 4.377 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.608 2.194 4.362 1.00 0.00 H new ATOM 0 HG SER A 1 13.241 2.713 2.799 1.00 0.00 H new ATOM 14 N GLU A 2 8.845 1.623 4.400 1.00 0.00 N ATOM 15 CA GLU A 2 7.975 0.951 5.361 1.00 0.00 C ATOM 16 C GLU A 2 6.573 1.564 5.359 1.00 0.00 C ATOM 17 O GLU A 2 6.312 2.526 6.075 1.00 0.00 O ATOM 18 CB GLU A 2 8.577 1.028 6.768 1.00 0.00 C ATOM 19 CG GLU A 2 9.292 -0.243 7.195 1.00 0.00 C ATOM 20 CD GLU A 2 8.530 -1.013 8.255 1.00 0.00 C ATOM 21 OE1 GLU A 2 7.286 -1.075 8.165 1.00 0.00 O ATOM 22 OE2 GLU A 2 9.177 -1.556 9.175 1.00 0.00 O ATOM 0 H GLU A 2 9.148 1.035 3.624 1.00 0.00 H new ATOM 0 HA GLU A 2 7.892 -0.094 5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.279 1.861 6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.783 1.246 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.441 -0.882 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.281 0.012 7.577 1.00 0.00 H new ATOM 29 N PRO A 3 5.645 1.001 4.563 1.00 0.00 N ATOM 30 CA PRO A 3 4.261 1.494 4.489 1.00 0.00 C ATOM 31 C PRO A 3 3.553 1.412 5.835 1.00 0.00 C ATOM 32 O PRO A 3 2.539 2.071 6.054 1.00 0.00 O ATOM 33 CB PRO A 3 3.574 0.530 3.509 1.00 0.00 C ATOM 34 CG PRO A 3 4.481 -0.649 3.388 1.00 0.00 C ATOM 35 CD PRO A 3 5.868 -0.167 3.694 1.00 0.00 C ATOM 0 HA PRO A 3 4.231 2.540 4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.593 0.231 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.419 1.004 2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.185 -1.437 4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.432 -1.072 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.457 -0.934 4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.407 0.105 2.787 1.00 0.00 H new ATOM 43 N TRP A 4 4.075 0.559 6.714 1.00 0.00 N ATOM 44 CA TRP A 4 3.481 0.330 8.027 1.00 0.00 C ATOM 45 C TRP A 4 2.287 -0.602 7.870 1.00 0.00 C ATOM 46 O TRP A 4 1.175 -0.167 7.562 1.00 0.00 O ATOM 47 CB TRP A 4 3.058 1.642 8.705 1.00 0.00 C ATOM 48 CG TRP A 4 4.147 2.260 9.529 1.00 0.00 C ATOM 49 CD1 TRP A 4 5.470 2.347 9.206 1.00 0.00 C ATOM 50 CD2 TRP A 4 4.003 2.879 10.812 1.00 0.00 C ATOM 51 NE1 TRP A 4 6.160 2.981 10.211 1.00 0.00 N ATOM 52 CE2 TRP A 4 5.282 3.317 11.208 1.00 0.00 C ATOM 53 CE3 TRP A 4 2.920 3.104 11.665 1.00 0.00 C ATOM 54 CZ2 TRP A 4 5.504 3.969 12.419 1.00 0.00 C ATOM 55 CZ3 TRP A 4 3.142 3.750 12.867 1.00 0.00 C ATOM 56 CH2 TRP A 4 4.424 4.177 13.234 1.00 0.00 C ATOM 0 H TRP A 4 4.917 0.011 6.537 1.00 0.00 H new ATOM 0 HA TRP A 4 4.230 -0.128 8.672 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.742 2.352 7.941 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.193 1.452 9.341 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.910 1.972 8.294 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.162 3.171 10.214 1.00 0.00 H new ATOM 0 HE3 TRP A 4 1.927 2.779 11.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.492 4.298 12.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.312 3.928 13.535 1.00 0.00 H new ATOM 0 HH2 TRP A 4 4.564 4.681 14.179 1.00 0.00 H new ATOM 67 N PHE A 5 2.536 -1.893 8.045 1.00 0.00 N ATOM 68 CA PHE A 5 1.498 -2.903 7.894 1.00 0.00 C ATOM 69 C PHE A 5 0.440 -2.789 8.985 1.00 0.00 C ATOM 70 O PHE A 5 0.737 -2.944 10.170 1.00 0.00 O ATOM 71 CB PHE A 5 2.115 -4.303 7.914 1.00 0.00 C ATOM 72 CG PHE A 5 2.791 -4.643 9.212 1.00 0.00 C ATOM 73 CD1 PHE A 5 4.108 -4.277 9.439 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.110 -5.331 10.204 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.733 -4.590 10.631 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.730 -5.646 11.399 1.00 0.00 C ATOM 77 CZ PHE A 5 4.044 -5.276 11.612 1.00 0.00 C ATOM 0 H PHE A 5 3.452 -2.266 8.293 1.00 0.00 H new ATOM 0 HA PHE A 5 1.011 -2.734 6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.335 -5.038 7.717 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.840 -4.383 7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.652 -3.741 8.676 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.083 -5.624 10.042 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.760 -4.298 10.795 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.188 -6.181 12.165 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.531 -5.523 12.544 1.00 0.00 H new ATOM 87 N PHE A 6 -0.799 -2.537 8.576 1.00 0.00 N ATOM 88 CA PHE A 6 -1.901 -2.427 9.521 1.00 0.00 C ATOM 89 C PHE A 6 -2.734 -3.703 9.500 1.00 0.00 C ATOM 90 O PHE A 6 -2.718 -4.445 8.517 1.00 0.00 O ATOM 91 CB PHE A 6 -2.773 -1.212 9.194 1.00 0.00 C ATOM 92 CG PHE A 6 -2.605 -0.084 10.171 1.00 0.00 C ATOM 93 CD1 PHE A 6 -3.170 -0.155 11.435 1.00 0.00 C ATOM 94 CD2 PHE A 6 -1.881 1.046 9.828 1.00 0.00 C ATOM 95 CE1 PHE A 6 -3.017 0.879 12.337 1.00 0.00 C ATOM 96 CE2 PHE A 6 -1.725 2.084 10.726 1.00 0.00 C ATOM 97 CZ PHE A 6 -2.293 2.001 11.983 1.00 0.00 C ATOM 0 H PHE A 6 -1.063 -2.406 7.600 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.491 -2.291 10.522 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.529 -0.857 8.193 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.819 -1.517 9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.737 -1.030 11.718 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.434 1.116 8.848 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.463 0.811 13.318 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.159 2.960 10.446 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.171 2.811 12.687 1.00 0.00 H new ATOM 107 N GLY A 7 -3.444 -3.971 10.590 1.00 0.00 N ATOM 108 CA GLY A 7 -4.248 -5.176 10.660 1.00 0.00 C ATOM 109 C GLY A 7 -5.709 -4.911 10.964 1.00 0.00 C ATOM 110 O GLY A 7 -6.405 -5.791 11.470 1.00 0.00 O ATOM 0 H GLY A 7 -3.477 -3.380 11.421 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.173 -5.709 9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.839 -5.832 11.428 1.00 0.00 H new ATOM 114 N CYS A 8 -6.186 -3.708 10.656 1.00 0.00 N ATOM 115 CA CYS A 8 -7.585 -3.377 10.910 1.00 0.00 C ATOM 116 C CYS A 8 -7.938 -1.966 10.441 1.00 0.00 C ATOM 117 O CYS A 8 -8.767 -1.293 11.053 1.00 0.00 O ATOM 118 CB CYS A 8 -7.901 -3.528 12.401 1.00 0.00 C ATOM 119 SG CYS A 8 -8.905 -4.979 12.797 1.00 0.00 S ATOM 0 H CYS A 8 -5.636 -2.958 10.237 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.193 -4.075 10.335 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.965 -3.584 12.956 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -8.422 -2.634 12.744 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.310 -6.050 12.363 1.00 0.00 H new ATOM 125 N ILE A 9 -7.329 -1.525 9.345 1.00 0.00 N ATOM 126 CA ILE A 9 -7.617 -0.201 8.807 1.00 0.00 C ATOM 127 C ILE A 9 -8.571 -0.304 7.618 1.00 0.00 C ATOM 128 O ILE A 9 -8.145 -0.351 6.465 1.00 0.00 O ATOM 129 CB ILE A 9 -6.337 0.544 8.375 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.599 -0.229 7.283 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.425 0.782 9.568 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.448 0.554 6.000 1.00 0.00 C ATOM 0 H ILE A 9 -6.639 -2.059 8.816 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.085 0.371 9.608 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.631 1.511 7.968 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.611 -0.509 7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.136 -1.155 7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.528 1.309 9.241 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.948 1.383 10.312 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.144 -0.175 10.008 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.916 -0.050 5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.434 0.811 5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.885 1.467 6.195 1.00 0.00 H new ATOM 144 N SER A 10 -9.867 -0.349 7.913 1.00 0.00 N ATOM 145 CA SER A 10 -10.890 -0.459 6.877 1.00 0.00 C ATOM 146 C SER A 10 -10.641 0.531 5.744 1.00 0.00 C ATOM 147 O SER A 10 -9.892 1.496 5.902 1.00 0.00 O ATOM 148 CB SER A 10 -12.278 -0.221 7.476 1.00 0.00 C ATOM 149 OG SER A 10 -12.874 -1.440 7.885 1.00 0.00 O ATOM 0 H SER A 10 -10.235 -0.311 8.864 1.00 0.00 H new ATOM 0 HA SER A 10 -10.841 -1.468 6.467 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.198 0.453 8.329 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.915 0.270 6.741 1.00 0.00 H new ATOM 0 HG SER A 10 -13.759 -1.260 8.266 1.00 0.00 H new ATOM 155 N ARG A 11 -11.275 0.287 4.601 1.00 0.00 N ATOM 156 CA ARG A 11 -11.123 1.161 3.444 1.00 0.00 C ATOM 157 C ARG A 11 -11.494 2.595 3.790 1.00 0.00 C ATOM 158 O ARG A 11 -11.051 3.538 3.140 1.00 0.00 O ATOM 159 CB ARG A 11 -11.982 0.663 2.280 1.00 0.00 C ATOM 160 CG ARG A 11 -11.608 1.278 0.940 1.00 0.00 C ATOM 161 CD ARG A 11 -11.963 0.355 -0.214 1.00 0.00 C ATOM 162 NE ARG A 11 -12.470 1.094 -1.368 1.00 0.00 N ATOM 163 CZ ARG A 11 -13.650 1.712 -1.393 1.00 0.00 C ATOM 164 NH1 ARG A 11 -14.447 1.678 -0.333 1.00 0.00 N ATOM 165 NH2 ARG A 11 -14.032 2.365 -2.481 1.00 0.00 N ATOM 0 H ARG A 11 -11.897 -0.507 4.452 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.075 1.141 3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.892 -0.421 2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.028 0.883 2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.125 2.230 0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.539 1.491 0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.081 -0.215 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.713 -0.364 0.114 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.886 1.139 -2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.157 1.177 0.507 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.349 2.153 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.423 2.394 -3.299 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.935 2.838 -2.501 1.00 0.00 H new ATOM 179 N SER A 12 -12.305 2.748 4.824 1.00 0.00 N ATOM 180 CA SER A 12 -12.738 4.065 5.269 1.00 0.00 C ATOM 181 C SER A 12 -11.597 4.805 5.960 1.00 0.00 C ATOM 182 O SER A 12 -11.529 6.034 5.922 1.00 0.00 O ATOM 183 CB SER A 12 -13.931 3.940 6.219 1.00 0.00 C ATOM 184 OG SER A 12 -15.088 3.498 5.531 1.00 0.00 O ATOM 0 H SER A 12 -12.679 1.974 5.374 1.00 0.00 H new ATOM 0 HA SER A 12 -13.041 4.637 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.691 3.240 7.019 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.129 4.904 6.688 1.00 0.00 H new ATOM 0 HG SER A 12 -15.835 3.425 6.161 1.00 0.00 H new ATOM 190 N GLU A 13 -10.702 4.049 6.589 1.00 0.00 N ATOM 191 CA GLU A 13 -9.565 4.640 7.285 1.00 0.00 C ATOM 192 C GLU A 13 -8.450 4.992 6.313 1.00 0.00 C ATOM 193 O GLU A 13 -8.010 6.132 6.257 1.00 0.00 O ATOM 194 CB GLU A 13 -9.023 3.690 8.354 1.00 0.00 C ATOM 195 CG GLU A 13 -10.105 2.989 9.159 1.00 0.00 C ATOM 196 CD GLU A 13 -10.851 3.934 10.079 1.00 0.00 C ATOM 197 OE1 GLU A 13 -11.730 4.672 9.586 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.556 3.938 11.293 1.00 0.00 O ATOM 0 H GLU A 13 -10.742 3.031 6.631 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.919 5.553 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.396 2.938 7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.383 4.252 9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.813 2.518 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.654 2.192 9.751 1.00 0.00 H new ATOM 205 N ALA A 14 -7.992 4.004 5.550 1.00 0.00 N ATOM 206 CA ALA A 14 -6.920 4.217 4.586 1.00 0.00 C ATOM 207 C ALA A 14 -7.218 5.410 3.688 1.00 0.00 C ATOM 208 O ALA A 14 -6.310 6.111 3.244 1.00 0.00 O ATOM 209 CB ALA A 14 -6.704 2.963 3.756 1.00 0.00 C ATOM 0 H ALA A 14 -8.347 3.048 5.581 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.005 4.435 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.901 3.135 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.435 2.135 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.621 2.719 3.221 1.00 0.00 H new ATOM 215 N VAL A 15 -8.497 5.646 3.434 1.00 0.00 N ATOM 216 CA VAL A 15 -8.904 6.767 2.597 1.00 0.00 C ATOM 217 C VAL A 15 -8.648 8.086 3.319 1.00 0.00 C ATOM 218 O VAL A 15 -7.914 8.946 2.828 1.00 0.00 O ATOM 219 CB VAL A 15 -10.396 6.676 2.207 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.858 7.949 1.512 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.641 5.466 1.322 1.00 0.00 C ATOM 0 H VAL A 15 -9.267 5.081 3.792 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.309 6.725 1.685 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.978 6.561 3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.912 7.858 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.724 8.798 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.270 8.104 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.697 5.417 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.043 5.551 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.359 4.560 1.858 1.00 0.00 H new ATOM 231 N ARG A 16 -9.252 8.232 4.492 1.00 0.00 N ATOM 232 CA ARG A 16 -9.089 9.442 5.290 1.00 0.00 C ATOM 233 C ARG A 16 -7.746 9.451 6.018 1.00 0.00 C ATOM 234 O ARG A 16 -7.387 10.438 6.653 1.00 0.00 O ATOM 235 CB ARG A 16 -10.230 9.567 6.302 1.00 0.00 C ATOM 236 CG ARG A 16 -11.532 10.061 5.693 1.00 0.00 C ATOM 237 CD ARG A 16 -12.385 10.790 6.718 1.00 0.00 C ATOM 238 NE ARG A 16 -13.189 11.847 6.109 1.00 0.00 N ATOM 239 CZ ARG A 16 -14.212 11.621 5.289 1.00 0.00 C ATOM 240 NH1 ARG A 16 -14.560 10.379 4.977 1.00 0.00 N ATOM 241 NH2 ARG A 16 -14.891 12.640 4.780 1.00 0.00 N ATOM 0 H ARG A 16 -9.859 7.528 4.912 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.114 10.295 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.401 8.596 6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.927 10.250 7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.315 10.728 4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.090 9.216 5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.042 10.077 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.741 11.221 7.485 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.952 12.815 6.325 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.042 9.591 5.366 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.345 10.212 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.629 13.597 5.017 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.675 12.467 4.151 1.00 0.00 H new ATOM 255 N ARG A 17 -7.008 8.348 5.919 1.00 0.00 N ATOM 256 CA ARG A 17 -5.707 8.230 6.566 1.00 0.00 C ATOM 257 C ARG A 17 -4.606 8.716 5.628 1.00 0.00 C ATOM 258 O ARG A 17 -3.775 9.543 6.002 1.00 0.00 O ATOM 259 CB ARG A 17 -5.453 6.775 6.986 1.00 0.00 C ATOM 260 CG ARG A 17 -4.194 6.586 7.815 1.00 0.00 C ATOM 261 CD ARG A 17 -4.149 5.202 8.444 1.00 0.00 C ATOM 262 NE ARG A 17 -3.590 5.230 9.795 1.00 0.00 N ATOM 263 CZ ARG A 17 -2.290 5.139 10.065 1.00 0.00 C ATOM 264 NH1 ARG A 17 -1.406 5.012 9.084 1.00 0.00 N ATOM 265 NH2 ARG A 17 -1.873 5.175 11.323 1.00 0.00 N ATOM 0 H ARG A 17 -7.292 7.521 5.394 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.701 8.854 7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.310 6.417 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.384 6.155 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.316 6.730 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.153 7.345 8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.156 4.786 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.551 4.539 7.818 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.236 5.325 10.579 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.721 4.983 8.114 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.411 4.943 9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.548 5.272 12.081 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.877 5.105 11.532 1.00 0.00 H new ATOM 279 N LEU A 18 -4.623 8.205 4.403 1.00 0.00 N ATOM 280 CA LEU A 18 -3.646 8.587 3.388 1.00 0.00 C ATOM 281 C LEU A 18 -3.697 10.080 3.132 1.00 0.00 C ATOM 282 O LEU A 18 -2.674 10.736 2.948 1.00 0.00 O ATOM 283 CB LEU A 18 -3.925 7.831 2.107 1.00 0.00 C ATOM 284 CG LEU A 18 -3.140 6.541 1.988 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.651 6.841 1.985 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.491 5.607 3.132 1.00 0.00 C ATOM 0 H LEU A 18 -5.308 7.519 4.086 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.648 8.335 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.990 7.606 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.689 8.471 1.257 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.401 6.051 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.092 5.909 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.412 7.487 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.379 7.343 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.921 4.683 3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.248 6.086 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.557 5.380 3.103 1.00 0.00 H new ATOM 298 N GLN A 19 -4.905 10.598 3.125 1.00 0.00 N ATOM 299 CA GLN A 19 -5.136 12.020 2.897 1.00 0.00 C ATOM 300 C GLN A 19 -4.901 12.822 4.176 1.00 0.00 C ATOM 301 O GLN A 19 -4.523 13.993 4.125 1.00 0.00 O ATOM 302 CB GLN A 19 -6.561 12.249 2.391 1.00 0.00 C ATOM 303 CG GLN A 19 -6.695 12.142 0.882 1.00 0.00 C ATOM 304 CD GLN A 19 -8.096 12.461 0.397 1.00 0.00 C ATOM 305 OE1 GLN A 19 -8.600 13.565 0.601 1.00 0.00 O ATOM 306 NE2 GLN A 19 -8.733 11.491 -0.249 1.00 0.00 N ATOM 0 H GLN A 19 -5.755 10.055 3.276 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.429 12.363 2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.225 11.522 2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.896 13.237 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.987 12.822 0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.426 11.133 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.277 10.591 -0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.679 11.646 -0.598 1.00 0.00 H new ATOM 315 N ALA A 20 -5.131 12.185 5.321 1.00 0.00 N ATOM 316 CA ALA A 20 -4.949 12.835 6.615 1.00 0.00 C ATOM 317 C ALA A 20 -3.483 13.061 6.933 1.00 0.00 C ATOM 318 O ALA A 20 -2.604 12.635 6.191 1.00 0.00 O ATOM 319 CB ALA A 20 -5.565 11.997 7.713 1.00 0.00 C ATOM 0 H ALA A 20 -5.445 11.216 5.379 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.444 13.804 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.422 12.493 8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.631 11.875 7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.086 11.018 7.736 1.00 0.00 H new ATOM 325 N GLU A 21 -3.229 13.715 8.061 1.00 0.00 N ATOM 326 CA GLU A 21 -1.866 13.981 8.500 1.00 0.00 C ATOM 327 C GLU A 21 -1.045 14.629 7.419 1.00 0.00 C ATOM 328 O GLU A 21 -1.501 14.809 6.289 1.00 0.00 O ATOM 329 CB GLU A 21 -1.199 12.686 8.964 1.00 0.00 C ATOM 330 CG GLU A 21 -1.382 12.410 10.447 1.00 0.00 C ATOM 331 CD GLU A 21 -0.531 13.315 11.317 1.00 0.00 C ATOM 332 OE1 GLU A 21 -0.327 14.486 10.934 1.00 0.00 O ATOM 333 OE2 GLU A 21 -0.069 12.852 12.381 1.00 0.00 O ATOM 0 H GLU A 21 -3.951 14.071 8.688 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.920 14.679 9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.607 11.851 8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.133 12.734 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.432 12.541 10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.129 11.370 10.653 1.00 0.00 H new ATOM 340 N GLY A 22 0.193 14.949 7.760 1.00 0.00 N ATOM 341 CA GLY A 22 1.078 15.533 6.791 1.00 0.00 C ATOM 342 C GLY A 22 1.348 14.556 5.670 1.00 0.00 C ATOM 343 O GLY A 22 2.203 14.804 4.823 1.00 0.00 O ATOM 0 H GLY A 22 0.594 14.813 8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.637 16.445 6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.016 15.816 7.269 1.00 0.00 H new ATOM 347 N ASN A 23 0.602 13.431 5.682 1.00 0.00 N ATOM 348 CA ASN A 23 0.744 12.376 4.660 1.00 0.00 C ATOM 349 C ASN A 23 1.279 12.919 3.350 1.00 0.00 C ATOM 350 O ASN A 23 0.523 13.216 2.425 1.00 0.00 O ATOM 351 CB ASN A 23 -0.591 11.656 4.428 1.00 0.00 C ATOM 352 CG ASN A 23 -0.683 10.354 5.196 1.00 0.00 C ATOM 353 OD1 ASN A 23 -0.145 9.331 4.772 1.00 0.00 O ATOM 354 ND2 ASN A 23 -1.370 10.384 6.331 1.00 0.00 N ATOM 0 H ASN A 23 -0.105 13.231 6.390 1.00 0.00 H new ATOM 0 HA ASN A 23 1.471 11.660 5.043 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.410 12.310 4.726 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.714 11.457 3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.469 9.537 6.890 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.799 11.255 6.644 1.00 0.00 H new ATOM 361 N ALA A 24 2.599 13.029 3.278 1.00 0.00 N ATOM 362 CA ALA A 24 3.248 13.512 2.081 1.00 0.00 C ATOM 363 C ALA A 24 3.044 12.506 0.974 1.00 0.00 C ATOM 364 O ALA A 24 3.240 11.308 1.175 1.00 0.00 O ATOM 365 CB ALA A 24 4.728 13.760 2.327 1.00 0.00 C ATOM 0 H ALA A 24 3.235 12.789 4.038 1.00 0.00 H new ATOM 0 HA ALA A 24 2.806 14.464 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.193 14.123 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.846 14.505 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.207 12.830 2.633 1.00 0.00 H new ATOM 371 N THR A 25 2.615 12.992 -0.179 1.00 0.00 N ATOM 372 CA THR A 25 2.343 12.131 -1.319 1.00 0.00 C ATOM 373 C THR A 25 3.266 10.913 -1.337 1.00 0.00 C ATOM 374 O THR A 25 4.440 11.003 -0.981 1.00 0.00 O ATOM 375 CB THR A 25 2.470 12.928 -2.616 1.00 0.00 C ATOM 376 OG1 THR A 25 3.735 13.563 -2.690 1.00 0.00 O ATOM 377 CG2 THR A 25 1.410 13.999 -2.762 1.00 0.00 C ATOM 0 H THR A 25 2.447 13.983 -0.351 1.00 0.00 H new ATOM 0 HA THR A 25 1.322 11.761 -1.229 1.00 0.00 H new ATOM 0 HB THR A 25 2.345 12.202 -3.419 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.799 14.067 -3.528 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.555 14.529 -3.703 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.423 13.537 -2.754 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.488 14.703 -1.934 1.00 0.00 H new ATOM 385 N GLY A 26 2.708 9.769 -1.715 1.00 0.00 N ATOM 386 CA GLY A 26 3.472 8.536 -1.729 1.00 0.00 C ATOM 387 C GLY A 26 3.215 7.726 -0.486 1.00 0.00 C ATOM 388 O GLY A 26 3.480 6.528 -0.463 1.00 0.00 O ATOM 0 H GLY A 26 1.737 9.673 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.208 7.951 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.535 8.764 -1.805 1.00 0.00 H new ATOM 392 N ALA A 27 2.677 8.381 0.549 1.00 0.00 N ATOM 393 CA ALA A 27 2.361 7.703 1.800 1.00 0.00 C ATOM 394 C ALA A 27 1.734 6.353 1.503 1.00 0.00 C ATOM 395 O ALA A 27 0.732 6.276 0.806 1.00 0.00 O ATOM 396 CB ALA A 27 1.428 8.556 2.647 1.00 0.00 C ATOM 0 H ALA A 27 2.454 9.376 0.540 1.00 0.00 H new ATOM 0 HA ALA A 27 3.280 7.548 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.202 8.035 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.909 9.508 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.503 8.737 2.099 1.00 0.00 H new ATOM 402 N PHE A 28 2.347 5.288 1.989 1.00 0.00 N ATOM 403 CA PHE A 28 1.860 3.956 1.727 1.00 0.00 C ATOM 404 C PHE A 28 1.638 3.195 3.025 1.00 0.00 C ATOM 405 O PHE A 28 2.254 3.486 4.050 1.00 0.00 O ATOM 406 CB PHE A 28 2.851 3.233 0.815 1.00 0.00 C ATOM 407 CG PHE A 28 4.311 3.386 1.198 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.917 4.630 1.232 1.00 0.00 C ATOM 409 CD2 PHE A 28 5.081 2.275 1.507 1.00 0.00 C ATOM 410 CE1 PHE A 28 6.248 4.761 1.569 1.00 0.00 C ATOM 411 CE2 PHE A 28 6.415 2.406 1.845 1.00 0.00 C ATOM 412 CZ PHE A 28 6.996 3.650 1.877 1.00 0.00 C ATOM 0 H PHE A 28 3.185 5.326 2.569 1.00 0.00 H new ATOM 0 HA PHE A 28 0.895 4.013 1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.604 2.171 0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.718 3.600 -0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.340 5.510 0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.632 1.293 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.704 5.740 1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.000 1.530 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.037 3.755 2.143 1.00 0.00 H new ATOM 422 N LEU A 29 0.737 2.235 2.964 1.00 0.00 N ATOM 423 CA LEU A 29 0.383 1.413 4.115 1.00 0.00 C ATOM 424 C LEU A 29 -0.167 0.069 3.662 1.00 0.00 C ATOM 425 O LEU A 29 -0.912 -0.009 2.689 1.00 0.00 O ATOM 426 CB LEU A 29 -0.658 2.113 4.991 1.00 0.00 C ATOM 427 CG LEU A 29 -1.927 2.670 4.296 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.973 2.424 2.790 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.164 2.077 4.940 1.00 0.00 C ATOM 0 H LEU A 29 0.225 1.998 2.114 1.00 0.00 H new ATOM 0 HA LEU A 29 1.290 1.257 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.978 1.409 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.165 2.940 5.502 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.894 3.751 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.892 2.844 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.114 2.900 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.946 1.352 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.054 2.471 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.143 0.992 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.186 2.341 5.997 1.00 0.00 H new ATOM 441 N ILE A 30 0.174 -0.996 4.364 1.00 0.00 N ATOM 442 CA ILE A 30 -0.323 -2.304 3.970 1.00 0.00 C ATOM 443 C ILE A 30 -1.278 -2.878 5.000 1.00 0.00 C ATOM 444 O ILE A 30 -0.917 -3.096 6.151 1.00 0.00 O ATOM 445 CB ILE A 30 0.805 -3.320 3.700 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.143 -2.617 3.391 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.389 -4.239 2.562 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.353 -2.266 1.929 1.00 0.00 C ATOM 0 H ILE A 30 0.776 -0.986 5.187 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.859 -2.138 3.035 1.00 0.00 H new ATOM 0 HB ILE A 30 0.965 -3.914 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.202 -1.703 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.960 -3.261 3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.183 -4.959 2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.522 -4.770 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.207 -3.648 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.319 -1.776 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.330 -3.176 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.561 -1.594 1.599 1.00 0.00 H new ATOM 460 N ARG A 31 -2.502 -3.122 4.566 1.00 0.00 N ATOM 461 CA ARG A 31 -3.529 -3.669 5.432 1.00 0.00 C ATOM 462 C ARG A 31 -3.973 -5.031 4.926 1.00 0.00 C ATOM 463 O ARG A 31 -3.555 -5.466 3.854 1.00 0.00 O ATOM 464 CB ARG A 31 -4.724 -2.731 5.455 1.00 0.00 C ATOM 465 CG ARG A 31 -5.226 -2.409 4.066 1.00 0.00 C ATOM 466 CD ARG A 31 -6.656 -1.893 4.094 1.00 0.00 C ATOM 467 NE ARG A 31 -7.009 -1.177 2.870 1.00 0.00 N ATOM 468 CZ ARG A 31 -8.260 -0.984 2.459 1.00 0.00 C ATOM 469 NH1 ARG A 31 -9.281 -1.434 3.179 1.00 0.00 N ATOM 470 NH2 ARG A 31 -8.492 -0.337 1.325 1.00 0.00 N ATOM 0 H ARG A 31 -2.810 -2.948 3.609 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.122 -3.777 6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.528 -3.185 6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.448 -1.807 5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.578 -1.662 3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.173 -3.302 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.340 -2.730 4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.785 -1.231 4.950 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.252 -0.803 2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.109 -1.931 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.237 -1.283 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.712 0.012 0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.451 -0.189 1.009 1.00 0.00 H new ATOM 484 N VAL A 32 -4.836 -5.696 5.680 1.00 0.00 N ATOM 485 CA VAL A 32 -5.326 -7.001 5.270 1.00 0.00 C ATOM 486 C VAL A 32 -6.513 -6.868 4.327 1.00 0.00 C ATOM 487 O VAL A 32 -7.467 -6.141 4.602 1.00 0.00 O ATOM 488 CB VAL A 32 -5.724 -7.871 6.477 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.511 -8.164 7.347 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.819 -7.193 7.288 1.00 0.00 C ATOM 0 H VAL A 32 -5.207 -5.358 6.568 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.506 -7.493 4.748 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.114 -8.819 6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.811 -8.780 8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.762 -8.695 6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.089 -7.227 7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.087 -7.823 8.136 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.460 -6.230 7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.696 -7.040 6.659 1.00 0.00 H new ATOM 500 N SER A 33 -6.434 -7.578 3.209 1.00 0.00 N ATOM 501 CA SER A 33 -7.485 -7.554 2.198 1.00 0.00 C ATOM 502 C SER A 33 -8.863 -7.789 2.810 1.00 0.00 C ATOM 503 O SER A 33 -9.190 -8.902 3.220 1.00 0.00 O ATOM 504 CB SER A 33 -7.201 -8.613 1.131 1.00 0.00 C ATOM 505 OG SER A 33 -6.199 -9.519 1.562 1.00 0.00 O ATOM 0 H SER A 33 -5.646 -8.183 2.978 1.00 0.00 H new ATOM 0 HA SER A 33 -7.489 -6.564 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.116 -9.160 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.883 -8.127 0.208 1.00 0.00 H new ATOM 0 HG SER A 33 -6.439 -10.428 1.286 1.00 0.00 H new ATOM 511 N GLU A 34 -9.671 -6.733 2.856 1.00 0.00 N ATOM 512 CA GLU A 34 -11.020 -6.829 3.404 1.00 0.00 C ATOM 513 C GLU A 34 -11.922 -7.638 2.476 1.00 0.00 C ATOM 514 O GLU A 34 -13.023 -8.041 2.856 1.00 0.00 O ATOM 515 CB GLU A 34 -11.607 -5.432 3.621 1.00 0.00 C ATOM 516 CG GLU A 34 -11.028 -4.707 4.825 1.00 0.00 C ATOM 517 CD GLU A 34 -11.848 -4.918 6.083 1.00 0.00 C ATOM 518 OE1 GLU A 34 -13.033 -5.298 5.963 1.00 0.00 O ATOM 519 OE2 GLU A 34 -11.308 -4.703 7.188 1.00 0.00 O ATOM 0 H GLU A 34 -9.416 -5.804 2.521 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.963 -7.341 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.433 -4.832 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.687 -5.516 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.009 -5.054 4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.970 -3.640 4.609 1.00 0.00 H new ATOM 526 N LYS A 35 -11.443 -7.876 1.262 1.00 0.00 N ATOM 527 CA LYS A 35 -12.190 -8.642 0.269 1.00 0.00 C ATOM 528 C LYS A 35 -11.390 -9.866 -0.182 1.00 0.00 C ATOM 529 O LYS A 35 -11.834 -11.001 0.000 1.00 0.00 O ATOM 530 CB LYS A 35 -12.568 -7.777 -0.947 1.00 0.00 C ATOM 531 CG LYS A 35 -12.156 -6.312 -0.841 1.00 0.00 C ATOM 532 CD LYS A 35 -11.748 -5.751 -2.193 1.00 0.00 C ATOM 533 CE LYS A 35 -12.236 -4.322 -2.375 1.00 0.00 C ATOM 534 NZ LYS A 35 -11.354 -3.342 -1.683 1.00 0.00 N ATOM 0 H LYS A 35 -10.533 -7.547 0.938 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.113 -8.977 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.108 -8.206 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.647 -7.827 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.983 -5.728 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.327 -6.216 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.663 -5.780 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.154 -6.379 -2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.278 -4.085 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.251 -4.233 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.721 -2.380 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.334 -3.552 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.391 -3.409 -2.069 1.00 0.00 H new ATOM 548 N PRO A 36 -10.193 -9.662 -0.772 1.00 0.00 N ATOM 549 CA PRO A 36 -9.348 -10.771 -1.235 1.00 0.00 C ATOM 550 C PRO A 36 -9.142 -11.826 -0.151 1.00 0.00 C ATOM 551 O PRO A 36 -9.648 -11.689 0.964 1.00 0.00 O ATOM 552 CB PRO A 36 -8.024 -10.086 -1.581 1.00 0.00 C ATOM 553 CG PRO A 36 -8.404 -8.689 -1.923 1.00 0.00 C ATOM 554 CD PRO A 36 -9.566 -8.350 -1.035 1.00 0.00 C ATOM 0 HA PRO A 36 -9.794 -11.307 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.331 -10.114 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.529 -10.579 -2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.572 -8.006 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.678 -8.605 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.240 -7.869 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.259 -7.665 -1.524 1.00 0.00 H new ATOM 562 N SER A 37 -8.403 -12.881 -0.482 1.00 0.00 N ATOM 563 CA SER A 37 -8.142 -13.958 0.468 1.00 0.00 C ATOM 564 C SER A 37 -6.644 -14.186 0.650 1.00 0.00 C ATOM 565 O SER A 37 -5.901 -14.313 -0.325 1.00 0.00 O ATOM 566 CB SER A 37 -8.812 -15.251 0.001 1.00 0.00 C ATOM 567 OG SER A 37 -9.190 -16.058 1.103 1.00 0.00 O ATOM 0 H SER A 37 -7.975 -13.013 -1.398 1.00 0.00 H new ATOM 0 HA SER A 37 -8.561 -13.663 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.691 -15.013 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.129 -15.806 -0.643 1.00 0.00 H new ATOM 0 HG SER A 37 -9.617 -16.877 0.777 1.00 0.00 H new ATOM 573 N ALA A 38 -6.208 -14.243 1.906 1.00 0.00 N ATOM 574 CA ALA A 38 -4.800 -14.463 2.225 1.00 0.00 C ATOM 575 C ALA A 38 -3.899 -13.497 1.462 1.00 0.00 C ATOM 576 O ALA A 38 -2.896 -13.901 0.874 1.00 0.00 O ATOM 577 CB ALA A 38 -4.412 -15.902 1.923 1.00 0.00 C ATOM 0 H ALA A 38 -6.812 -14.140 2.722 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.663 -14.274 3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.360 -16.054 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.023 -16.577 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.574 -16.108 0.865 1.00 0.00 H new ATOM 583 N ASP A 39 -4.264 -12.220 1.473 1.00 0.00 N ATOM 584 CA ASP A 39 -3.489 -11.199 0.780 1.00 0.00 C ATOM 585 C ASP A 39 -3.430 -9.913 1.599 1.00 0.00 C ATOM 586 O ASP A 39 -3.874 -9.877 2.747 1.00 0.00 O ATOM 587 CB ASP A 39 -4.104 -10.919 -0.593 1.00 0.00 C ATOM 588 CG ASP A 39 -4.141 -12.153 -1.472 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.145 -12.907 -1.478 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.165 -12.365 -2.156 1.00 0.00 O ATOM 0 H ASP A 39 -5.092 -11.868 1.954 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.472 -11.568 0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.117 -10.538 -0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.531 -10.138 -1.092 1.00 0.00 H new ATOM 595 N TYR A 40 -2.896 -8.855 0.998 1.00 0.00 N ATOM 596 CA TYR A 40 -2.797 -7.565 1.662 1.00 0.00 C ATOM 597 C TYR A 40 -3.085 -6.474 0.669 1.00 0.00 C ATOM 598 O TYR A 40 -2.646 -6.535 -0.471 1.00 0.00 O ATOM 599 CB TYR A 40 -1.406 -7.357 2.290 1.00 0.00 C ATOM 600 CG TYR A 40 -1.405 -7.477 3.801 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.557 -8.712 4.411 1.00 0.00 C ATOM 602 CD2 TYR A 40 -1.248 -6.358 4.615 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.553 -8.837 5.788 1.00 0.00 C ATOM 604 CE2 TYR A 40 -1.243 -6.475 5.993 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.394 -7.715 6.573 1.00 0.00 C ATOM 606 OH TYR A 40 -1.388 -7.835 7.945 1.00 0.00 O ATOM 0 H TYR A 40 -2.524 -8.868 0.048 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.529 -7.535 2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.714 -8.090 1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.033 -6.372 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.681 -9.593 3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.128 -5.384 4.163 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.674 -9.808 6.246 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.121 -5.598 6.611 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.265 -6.951 8.350 1.00 0.00 H new ATOM 616 N VAL A 41 -3.825 -5.479 1.101 1.00 0.00 N ATOM 617 CA VAL A 41 -4.159 -4.376 0.224 1.00 0.00 C ATOM 618 C VAL A 41 -3.380 -3.140 0.623 1.00 0.00 C ATOM 619 O VAL A 41 -3.371 -2.742 1.787 1.00 0.00 O ATOM 620 CB VAL A 41 -5.672 -4.094 0.196 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.357 -5.115 -0.700 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.267 -4.137 1.594 1.00 0.00 C ATOM 0 H VAL A 41 -4.205 -5.408 2.045 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.876 -4.659 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.832 -3.091 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.429 -4.918 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.954 -5.042 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.180 -6.118 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.337 -3.934 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.106 -5.124 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.785 -3.384 2.218 1.00 0.00 H new ATOM 632 N LEU A 42 -2.696 -2.560 -0.349 1.00 0.00 N ATOM 633 CA LEU A 42 -1.876 -1.398 -0.111 1.00 0.00 C ATOM 634 C LEU A 42 -2.559 -0.146 -0.605 1.00 0.00 C ATOM 635 O LEU A 42 -3.252 -0.167 -1.612 1.00 0.00 O ATOM 636 CB LEU A 42 -0.539 -1.553 -0.825 1.00 0.00 C ATOM 637 CG LEU A 42 0.404 -0.362 -0.699 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.691 -0.075 0.759 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.690 -0.646 -1.449 1.00 0.00 C ATOM 0 H LEU A 42 -2.697 -2.883 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.715 -1.311 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.036 -2.437 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.729 -1.736 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.070 0.518 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.366 0.778 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.242 0.152 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.156 -0.948 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.361 0.208 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.168 -1.531 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.467 -0.819 -2.502 1.00 0.00 H new ATOM 651 N SER A 43 -2.342 0.949 0.088 1.00 0.00 N ATOM 652 CA SER A 43 -2.928 2.202 -0.322 1.00 0.00 C ATOM 653 C SER A 43 -1.912 3.309 -0.270 1.00 0.00 C ATOM 654 O SER A 43 -0.934 3.247 0.471 1.00 0.00 O ATOM 655 CB SER A 43 -4.160 2.537 0.503 1.00 0.00 C ATOM 656 OG SER A 43 -3.917 3.593 1.413 1.00 0.00 O ATOM 0 H SER A 43 -1.769 0.997 0.931 1.00 0.00 H new ATOM 0 HA SER A 43 -3.254 2.096 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.978 2.813 -0.162 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.480 1.652 1.052 1.00 0.00 H new ATOM 0 HG SER A 43 -4.603 4.284 1.303 1.00 0.00 H new ATOM 662 N VAL A 44 -2.135 4.311 -1.087 1.00 0.00 N ATOM 663 CA VAL A 44 -1.215 5.429 -1.148 1.00 0.00 C ATOM 664 C VAL A 44 -1.930 6.732 -1.467 1.00 0.00 C ATOM 665 O VAL A 44 -2.829 6.766 -2.309 1.00 0.00 O ATOM 666 CB VAL A 44 -0.108 5.182 -2.195 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.613 5.467 -3.601 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.121 6.020 -1.883 1.00 0.00 C ATOM 0 H VAL A 44 -2.936 4.378 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.762 5.516 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 44 0.174 4.130 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.187 5.285 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.456 4.814 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.932 6.507 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.890 5.832 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.854 7.077 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.502 5.754 -0.897 1.00 0.00 H new ATOM 678 N ARG A 45 -1.500 7.811 -0.825 1.00 0.00 N ATOM 679 CA ARG A 45 -2.080 9.116 -1.089 1.00 0.00 C ATOM 680 C ARG A 45 -1.717 9.541 -2.504 1.00 0.00 C ATOM 681 O ARG A 45 -2.252 10.514 -3.035 1.00 0.00 O ATOM 682 CB ARG A 45 -1.578 10.150 -0.077 1.00 0.00 C ATOM 683 CG ARG A 45 -2.314 11.479 -0.148 1.00 0.00 C ATOM 684 CD ARG A 45 -1.460 12.615 0.391 1.00 0.00 C ATOM 685 NE ARG A 45 -2.167 13.403 1.401 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.673 14.617 1.186 1.00 0.00 C ATOM 687 NH1 ARG A 45 -2.568 15.194 -0.006 1.00 0.00 N ATOM 688 NH2 ARG A 45 -3.291 15.257 2.169 1.00 0.00 N ATOM 0 H ARG A 45 -0.758 7.807 -0.125 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.164 9.053 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.680 9.741 0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.515 10.324 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.591 11.689 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.240 11.415 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.546 12.207 0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.161 13.265 -0.431 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.280 12.997 2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.096 14.707 -0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.959 16.124 -0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.378 14.820 3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.679 16.186 2.008 1.00 0.00 H new ATOM 702 N ASP A 46 -0.797 8.788 -3.110 1.00 0.00 N ATOM 703 CA ASP A 46 -0.346 9.062 -4.472 1.00 0.00 C ATOM 704 C ASP A 46 0.110 10.511 -4.621 1.00 0.00 C ATOM 705 O ASP A 46 1.276 10.828 -4.403 1.00 0.00 O ATOM 706 CB ASP A 46 -1.460 8.714 -5.475 1.00 0.00 C ATOM 707 CG ASP A 46 -1.249 9.310 -6.857 1.00 0.00 C ATOM 708 OD1 ASP A 46 -0.550 8.682 -7.677 1.00 0.00 O ATOM 709 OD2 ASP A 46 -1.795 10.402 -7.120 1.00 0.00 O ATOM 0 H ASP A 46 -0.349 7.981 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 46 0.517 8.432 -4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.530 7.630 -5.564 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.414 9.064 -5.080 1.00 0.00 H new ATOM 714 N THR A 47 -0.816 11.376 -4.990 1.00 0.00 N ATOM 715 CA THR A 47 -0.523 12.798 -5.169 1.00 0.00 C ATOM 716 C THR A 47 -1.548 13.675 -4.447 1.00 0.00 C ATOM 717 O THR A 47 -1.403 14.895 -4.393 1.00 0.00 O ATOM 718 CB THR A 47 -0.493 13.150 -6.660 1.00 0.00 C ATOM 719 OG1 THR A 47 0.043 14.447 -6.857 1.00 0.00 O ATOM 720 CG2 THR A 47 -1.858 13.114 -7.316 1.00 0.00 C ATOM 0 H THR A 47 -1.787 11.122 -5.174 1.00 0.00 H new ATOM 0 HA THR A 47 0.457 12.993 -4.733 1.00 0.00 H new ATOM 0 HB THR A 47 0.133 12.387 -7.123 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.283 15.046 -6.153 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.762 13.373 -8.370 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.279 12.113 -7.225 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.517 13.830 -6.825 1.00 0.00 H new ATOM 728 N GLN A 48 -2.581 13.044 -3.896 1.00 0.00 N ATOM 729 CA GLN A 48 -3.633 13.755 -3.180 1.00 0.00 C ATOM 730 C GLN A 48 -4.674 12.774 -2.667 1.00 0.00 C ATOM 731 O GLN A 48 -4.657 12.379 -1.501 1.00 0.00 O ATOM 732 CB GLN A 48 -4.284 14.807 -4.084 1.00 0.00 C ATOM 733 CG GLN A 48 -3.963 16.237 -3.680 1.00 0.00 C ATOM 734 CD GLN A 48 -4.516 17.257 -4.656 1.00 0.00 C ATOM 735 OE1 GLN A 48 -3.766 17.893 -5.397 1.00 0.00 O ATOM 736 NE2 GLN A 48 -5.833 17.418 -4.661 1.00 0.00 N ATOM 0 H GLN A 48 -2.711 12.033 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.188 14.267 -2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.955 14.646 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.365 14.668 -4.070 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.371 16.431 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.882 16.357 -3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.416 16.869 -4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.262 18.091 -5.297 1.00 0.00 H new ATOM 745 N ALA A 49 -5.561 12.373 -3.555 1.00 0.00 N ATOM 746 CA ALA A 49 -6.606 11.417 -3.217 1.00 0.00 C ATOM 747 C ALA A 49 -5.988 10.051 -2.948 1.00 0.00 C ATOM 748 O ALA A 49 -4.838 9.804 -3.308 1.00 0.00 O ATOM 749 CB ALA A 49 -7.631 11.329 -4.338 1.00 0.00 C ATOM 0 H ALA A 49 -5.582 12.694 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.117 11.756 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.404 10.610 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.084 12.308 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.140 11.006 -5.256 1.00 0.00 H new ATOM 755 N VAL A 50 -6.742 9.164 -2.308 1.00 0.00 N ATOM 756 CA VAL A 50 -6.231 7.836 -2.000 1.00 0.00 C ATOM 757 C VAL A 50 -6.474 6.855 -3.136 1.00 0.00 C ATOM 758 O VAL A 50 -7.448 6.965 -3.881 1.00 0.00 O ATOM 759 CB VAL A 50 -6.841 7.265 -0.705 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.263 5.885 -0.405 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.592 8.216 0.451 1.00 0.00 C ATOM 0 H VAL A 50 -7.697 9.338 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.157 7.959 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.917 7.159 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.705 5.497 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.488 5.209 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.183 5.962 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.027 7.804 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.519 8.348 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.051 9.180 0.234 1.00 0.00 H new ATOM 771 N ARG A 51 -5.576 5.889 -3.244 1.00 0.00 N ATOM 772 CA ARG A 51 -5.657 4.856 -4.263 1.00 0.00 C ATOM 773 C ARG A 51 -5.176 3.539 -3.673 1.00 0.00 C ATOM 774 O ARG A 51 -3.993 3.374 -3.379 1.00 0.00 O ATOM 775 CB ARG A 51 -4.813 5.236 -5.480 1.00 0.00 C ATOM 776 CG ARG A 51 -4.782 6.730 -5.760 1.00 0.00 C ATOM 777 CD ARG A 51 -4.210 7.032 -7.134 1.00 0.00 C ATOM 778 NE ARG A 51 -5.219 6.924 -8.185 1.00 0.00 N ATOM 779 CZ ARG A 51 -5.451 5.815 -8.888 1.00 0.00 C ATOM 780 NH1 ARG A 51 -4.752 4.711 -8.655 1.00 0.00 N ATOM 781 NH2 ARG A 51 -6.388 5.810 -9.826 1.00 0.00 N ATOM 0 H ARG A 51 -4.769 5.799 -2.626 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.691 4.751 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.793 4.883 -5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.203 4.719 -6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.792 7.135 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.184 7.231 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.789 8.037 -7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.392 6.343 -7.345 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.781 7.749 -8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.031 4.707 -7.934 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.936 3.867 -9.197 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.931 6.654 -10.009 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.566 4.962 -10.364 1.00 0.00 H new ATOM 795 N HIS A 52 -6.105 2.619 -3.464 1.00 0.00 N ATOM 796 CA HIS A 52 -5.781 1.333 -2.865 1.00 0.00 C ATOM 797 C HIS A 52 -5.291 0.335 -3.904 1.00 0.00 C ATOM 798 O HIS A 52 -5.379 0.582 -5.106 1.00 0.00 O ATOM 799 CB HIS A 52 -7.008 0.792 -2.138 1.00 0.00 C ATOM 800 CG HIS A 52 -7.567 1.805 -1.205 1.00 0.00 C ATOM 801 ND1 HIS A 52 -6.998 2.061 0.014 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.563 2.706 -1.356 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.598 3.085 0.571 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.561 3.498 -0.236 1.00 0.00 N ATOM 0 H HIS A 52 -7.090 2.739 -3.700 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.969 1.479 -2.153 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.768 0.504 -2.865 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.739 -0.108 -1.584 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.226 1.536 0.425 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.233 2.787 -2.199 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.348 3.518 1.528 1.00 0.00 H new ATOM 813 N TYR A 53 -4.752 -0.782 -3.428 1.00 0.00 N ATOM 814 CA TYR A 53 -4.216 -1.808 -4.309 1.00 0.00 C ATOM 815 C TYR A 53 -4.229 -3.179 -3.642 1.00 0.00 C ATOM 816 O TYR A 53 -3.835 -3.319 -2.487 1.00 0.00 O ATOM 817 CB TYR A 53 -2.776 -1.458 -4.691 1.00 0.00 C ATOM 818 CG TYR A 53 -2.529 0.021 -4.897 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.900 0.638 -6.081 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.912 0.793 -3.916 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.669 1.981 -6.289 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.674 2.139 -4.120 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.053 2.728 -5.308 1.00 0.00 C ATOM 824 OH TYR A 53 -1.812 4.065 -5.516 1.00 0.00 O ATOM 0 H TYR A 53 -4.676 -0.998 -2.434 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.847 -1.847 -5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.107 -1.821 -3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.516 -1.989 -5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.379 0.056 -6.855 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.616 0.334 -2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.969 2.446 -7.216 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.193 2.727 -3.352 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.396 4.396 -6.230 1.00 0.00 H new ATOM 834 N LYS A 54 -4.658 -4.191 -4.385 1.00 0.00 N ATOM 835 CA LYS A 54 -4.692 -5.553 -3.871 1.00 0.00 C ATOM 836 C LYS A 54 -3.333 -6.217 -4.060 1.00 0.00 C ATOM 837 O LYS A 54 -2.899 -6.443 -5.188 1.00 0.00 O ATOM 838 CB LYS A 54 -5.767 -6.370 -4.589 1.00 0.00 C ATOM 839 CG LYS A 54 -6.215 -7.598 -3.815 1.00 0.00 C ATOM 840 CD LYS A 54 -5.493 -8.849 -4.287 1.00 0.00 C ATOM 841 CE LYS A 54 -5.755 -9.122 -5.761 1.00 0.00 C ATOM 842 NZ LYS A 54 -4.638 -8.642 -6.623 1.00 0.00 N ATOM 0 H LYS A 54 -4.987 -4.094 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.930 -5.514 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.632 -5.733 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.385 -6.683 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.027 -7.448 -2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.290 -7.731 -3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.422 -8.736 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.819 -9.704 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.896 -10.192 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.681 -8.633 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.014 -8.010 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.949 -8.124 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.171 -9.456 -7.071 1.00 0.00 H new ATOM 856 N ILE A 55 -2.671 -6.536 -2.954 1.00 0.00 N ATOM 857 CA ILE A 55 -1.367 -7.182 -3.003 1.00 0.00 C ATOM 858 C ILE A 55 -1.549 -8.683 -2.823 1.00 0.00 C ATOM 859 O ILE A 55 -1.693 -9.172 -1.703 1.00 0.00 O ATOM 860 CB ILE A 55 -0.416 -6.637 -1.912 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.691 -5.157 -1.613 1.00 0.00 C ATOM 862 CG2 ILE A 55 1.037 -6.823 -2.311 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.306 -4.764 -0.208 1.00 0.00 C ATOM 0 H ILE A 55 -3.017 -6.357 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.915 -6.968 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.607 -7.211 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.140 -4.539 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.750 -4.951 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.683 -6.431 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.242 -7.884 -2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.230 -6.288 -3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.523 -3.707 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.876 -5.359 0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.759 -4.941 -0.060 1.00 0.00 H new ATOM 875 N TRP A 56 -1.577 -9.401 -3.938 1.00 0.00 N ATOM 876 CA TRP A 56 -1.786 -10.843 -3.921 1.00 0.00 C ATOM 877 C TRP A 56 -0.485 -11.601 -3.689 1.00 0.00 C ATOM 878 O TRP A 56 0.526 -11.344 -4.342 1.00 0.00 O ATOM 879 CB TRP A 56 -2.421 -11.279 -5.246 1.00 0.00 C ATOM 880 CG TRP A 56 -3.278 -12.509 -5.146 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.146 -13.539 -4.258 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.400 -12.838 -5.975 1.00 0.00 C ATOM 883 NE1 TRP A 56 -4.119 -14.483 -4.481 1.00 0.00 N ATOM 884 CE2 TRP A 56 -4.900 -14.076 -5.529 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.032 -12.206 -7.050 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -6.001 -14.692 -6.120 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.124 -12.818 -7.635 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.600 -14.049 -7.169 1.00 0.00 C ATOM 0 H TRP A 56 -1.457 -9.006 -4.871 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.453 -11.081 -3.093 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.026 -10.459 -5.632 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.629 -11.460 -5.973 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.387 -13.602 -3.492 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.240 -15.347 -3.952 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.673 -11.256 -7.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.369 -15.643 -5.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -6.619 -12.338 -8.466 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.457 -14.500 -7.647 1.00 0.00 H new ATOM 899 N ARG A 57 -0.528 -12.550 -2.758 1.00 0.00 N ATOM 900 CA ARG A 57 0.633 -13.367 -2.437 1.00 0.00 C ATOM 901 C ARG A 57 0.721 -14.542 -3.407 1.00 0.00 C ATOM 902 O ARG A 57 -0.287 -14.968 -3.970 1.00 0.00 O ATOM 903 CB ARG A 57 0.536 -13.874 -0.995 1.00 0.00 C ATOM 904 CG ARG A 57 1.687 -14.776 -0.577 1.00 0.00 C ATOM 905 CD ARG A 57 1.312 -15.640 0.616 1.00 0.00 C ATOM 906 NE ARG A 57 0.201 -16.539 0.312 1.00 0.00 N ATOM 907 CZ ARG A 57 -0.173 -17.549 1.095 1.00 0.00 C ATOM 908 NH1 ARG A 57 0.471 -17.792 2.229 1.00 0.00 N ATOM 909 NH2 ARG A 57 -1.194 -18.317 0.742 1.00 0.00 N ATOM 0 H ARG A 57 -1.360 -12.771 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 57 1.534 -12.762 -2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.496 -13.018 -0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.401 -14.418 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.974 -15.413 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.556 -14.167 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.178 -16.225 0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.042 -15.001 1.456 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.319 -16.384 -0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.257 -17.204 2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.180 -18.567 2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.693 -18.134 -0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.481 -19.091 1.341 1.00 0.00 H new ATOM 923 N ARG A 58 1.929 -15.051 -3.611 1.00 0.00 N ATOM 924 CA ARG A 58 2.142 -16.166 -4.527 1.00 0.00 C ATOM 925 C ARG A 58 2.041 -17.512 -3.814 1.00 0.00 C ATOM 926 O ARG A 58 2.691 -18.481 -4.209 1.00 0.00 O ATOM 927 CB ARG A 58 3.509 -16.028 -5.196 1.00 0.00 C ATOM 928 CG ARG A 58 3.488 -15.158 -6.443 1.00 0.00 C ATOM 929 CD ARG A 58 4.682 -15.437 -7.342 1.00 0.00 C ATOM 930 NE ARG A 58 4.289 -15.608 -8.738 1.00 0.00 N ATOM 931 CZ ARG A 58 3.770 -16.731 -9.230 1.00 0.00 C ATOM 932 NH1 ARG A 58 3.579 -17.783 -8.443 1.00 0.00 N ATOM 933 NH2 ARG A 58 3.439 -16.801 -10.513 1.00 0.00 N ATOM 0 H ARG A 58 2.776 -14.711 -3.156 1.00 0.00 H new ATOM 0 HA ARG A 58 1.357 -16.135 -5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.214 -15.606 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.877 -17.019 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.566 -15.337 -6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.488 -14.107 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.394 -14.615 -7.264 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.193 -16.336 -6.997 1.00 0.00 H new ATOM 0 HE ARG A 58 4.420 -14.821 -9.373 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.830 -17.734 -7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.181 -18.641 -8.826 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.582 -15.995 -11.121 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.041 -17.661 -10.891 1.00 0.00 H new ATOM 947 N ALA A 59 1.221 -17.572 -2.768 1.00 0.00 N ATOM 948 CA ALA A 59 1.033 -18.805 -2.006 1.00 0.00 C ATOM 949 C ALA A 59 2.367 -19.464 -1.668 1.00 0.00 C ATOM 950 O ALA A 59 2.447 -20.684 -1.517 1.00 0.00 O ATOM 951 CB ALA A 59 0.149 -19.771 -2.781 1.00 0.00 C ATOM 0 H ALA A 59 0.675 -16.780 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 59 0.543 -18.546 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.016 -20.686 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.823 -19.311 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.619 -20.009 -3.735 1.00 0.00 H new ATOM 957 N GLY A 60 3.411 -18.651 -1.554 1.00 0.00 N ATOM 958 CA GLY A 60 4.726 -19.175 -1.236 1.00 0.00 C ATOM 959 C GLY A 60 5.743 -18.076 -1.002 1.00 0.00 C ATOM 960 O GLY A 60 6.923 -18.237 -1.314 1.00 0.00 O ATOM 0 H GLY A 60 3.370 -17.639 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.660 -19.801 -0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.066 -19.814 -2.051 1.00 0.00 H new ATOM 964 N GLY A 61 5.284 -16.957 -0.453 1.00 0.00 N ATOM 965 CA GLY A 61 6.174 -15.844 -0.188 1.00 0.00 C ATOM 966 C GLY A 61 6.503 -15.054 -1.439 1.00 0.00 C ATOM 967 O GLY A 61 7.577 -15.216 -2.018 1.00 0.00 O ATOM 0 H GLY A 61 4.312 -16.801 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.714 -15.182 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.097 -16.218 0.255 1.00 0.00 H new ATOM 971 N ARG A 62 5.578 -14.193 -1.855 1.00 0.00 N ATOM 972 CA ARG A 62 5.772 -13.367 -3.043 1.00 0.00 C ATOM 973 C ARG A 62 4.520 -12.550 -3.343 1.00 0.00 C ATOM 974 O ARG A 62 3.542 -13.060 -3.888 1.00 0.00 O ATOM 975 CB ARG A 62 6.148 -14.232 -4.249 1.00 0.00 C ATOM 976 CG ARG A 62 7.562 -13.984 -4.755 1.00 0.00 C ATOM 977 CD ARG A 62 7.837 -14.738 -6.048 1.00 0.00 C ATOM 978 NE ARG A 62 8.181 -13.836 -7.144 1.00 0.00 N ATOM 979 CZ ARG A 62 8.260 -14.214 -8.418 1.00 0.00 C ATOM 980 NH1 ARG A 62 8.015 -15.473 -8.761 1.00 0.00 N ATOM 981 NH2 ARG A 62 8.584 -13.331 -9.353 1.00 0.00 N ATOM 0 H ARG A 62 4.684 -14.049 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 62 6.593 -12.678 -2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.046 -15.283 -3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.442 -14.041 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.708 -12.916 -4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.280 -14.291 -3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.652 -15.444 -5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.958 -15.322 -6.321 1.00 0.00 H new ATOM 0 HE ARG A 62 8.372 -12.859 -6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.765 -16.157 -8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.077 -15.757 -9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.773 -12.362 -9.096 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.645 -13.621 -10.329 1.00 0.00 H new ATOM 995 N LEU A 63 4.567 -11.275 -2.976 1.00 0.00 N ATOM 996 CA LEU A 63 3.451 -10.363 -3.191 1.00 0.00 C ATOM 997 C LEU A 63 3.500 -9.761 -4.585 1.00 0.00 C ATOM 998 O LEU A 63 4.575 -9.543 -5.138 1.00 0.00 O ATOM 999 CB LEU A 63 3.478 -9.240 -2.154 1.00 0.00 C ATOM 1000 CG LEU A 63 2.881 -9.606 -0.799 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.418 -9.991 -0.954 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.672 -10.739 -0.162 1.00 0.00 C ATOM 0 H LEU A 63 5.375 -10.846 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 63 2.528 -10.934 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.511 -8.925 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.937 -8.382 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 63 2.939 -8.737 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.005 -10.250 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.863 -9.151 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.336 -10.848 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.235 -10.990 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.642 -11.614 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.707 -10.426 -0.022 1.00 0.00 H new ATOM 1014 N HIS A 64 2.331 -9.484 -5.143 1.00 0.00 N ATOM 1015 CA HIS A 64 2.250 -8.896 -6.468 1.00 0.00 C ATOM 1016 C HIS A 64 0.941 -8.137 -6.645 1.00 0.00 C ATOM 1017 O HIS A 64 -0.104 -8.732 -6.910 1.00 0.00 O ATOM 1018 CB HIS A 64 2.395 -9.977 -7.544 1.00 0.00 C ATOM 1019 CG HIS A 64 1.266 -10.962 -7.577 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.170 -10.822 -8.404 1.00 0.00 N ATOM 1021 CD2 HIS A 64 1.070 -12.111 -6.887 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.651 -11.842 -8.220 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.128 -12.638 -7.306 1.00 0.00 N ATOM 0 H HIS A 64 1.429 -9.657 -4.699 1.00 0.00 H new ATOM 0 HA HIS A 64 3.071 -8.187 -6.577 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.472 -9.496 -8.519 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.328 -10.516 -7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.732 -12.534 -6.146 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.590 -11.997 -8.731 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.546 -13.504 -6.966 1.00 0.00 H new ATOM 1032 N LEU A 65 1.003 -6.818 -6.501 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.184 -5.990 -6.659 1.00 0.00 C ATOM 1034 C LEU A 65 -0.670 -6.042 -8.101 1.00 0.00 C ATOM 1035 O LEU A 65 -1.838 -5.789 -8.393 1.00 0.00 O ATOM 1036 CB LEU A 65 0.107 -4.545 -6.256 1.00 0.00 C ATOM 1037 CG LEU A 65 0.350 -4.333 -4.765 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.782 -4.690 -4.409 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.038 -2.897 -4.369 1.00 0.00 C ATOM 0 H LEU A 65 1.855 -6.304 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.965 -6.380 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.983 -4.199 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.731 -3.921 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.318 -4.990 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.941 -4.534 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.968 -5.736 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.466 -4.057 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.218 -2.767 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.679 -2.217 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.006 -2.677 -4.591 1.00 0.00 H new ATOM 1051 N ASN A 66 0.250 -6.382 -8.994 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.043 -6.489 -10.416 1.00 0.00 C ATOM 1053 C ASN A 66 0.684 -7.688 -11.016 1.00 0.00 C ATOM 1054 O ASN A 66 1.480 -8.344 -10.343 1.00 0.00 O ATOM 1055 CB ASN A 66 0.367 -5.205 -11.143 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.806 -4.528 -11.824 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -0.948 -4.588 -13.046 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -1.656 -3.879 -11.036 1.00 0.00 N ATOM 0 H ASN A 66 1.219 -6.591 -8.753 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.117 -6.632 -10.539 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.818 -4.515 -10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.130 -5.439 -11.886 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.464 -3.405 -11.439 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.500 -3.855 -10.028 1.00 0.00 H new ATOM 1065 N GLU A 67 0.407 -7.971 -12.284 1.00 0.00 N ATOM 1066 CA GLU A 67 1.034 -9.097 -12.969 1.00 0.00 C ATOM 1067 C GLU A 67 2.452 -8.763 -13.433 1.00 0.00 C ATOM 1068 O GLU A 67 2.989 -9.426 -14.321 1.00 0.00 O ATOM 1069 CB GLU A 67 0.185 -9.523 -14.168 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.139 -8.384 -15.120 1.00 0.00 C ATOM 1071 CD GLU A 67 -1.631 -8.137 -15.251 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -2.265 -8.779 -16.115 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -2.164 -7.304 -14.489 1.00 0.00 O ATOM 0 H GLU A 67 -0.246 -7.438 -12.858 1.00 0.00 H new ATOM 0 HA GLU A 67 1.100 -9.918 -12.256 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.711 -10.305 -14.716 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.746 -9.959 -13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.347 -7.473 -14.769 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.276 -8.608 -16.103 1.00 0.00 H new ATOM 1080 N ALA A 68 3.060 -7.741 -12.835 1.00 0.00 N ATOM 1081 CA ALA A 68 4.413 -7.346 -13.205 1.00 0.00 C ATOM 1082 C ALA A 68 5.192 -6.791 -12.014 1.00 0.00 C ATOM 1083 O ALA A 68 6.241 -6.171 -12.191 1.00 0.00 O ATOM 1084 CB ALA A 68 4.370 -6.319 -14.328 1.00 0.00 C ATOM 0 H ALA A 68 2.639 -7.176 -12.097 1.00 0.00 H new ATOM 0 HA ALA A 68 4.933 -8.239 -13.550 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.386 -6.031 -14.597 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.874 -6.751 -15.197 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.819 -5.439 -13.995 1.00 0.00 H new ATOM 1090 N VAL A 69 4.687 -7.012 -10.799 1.00 0.00 N ATOM 1091 CA VAL A 69 5.367 -6.518 -9.603 1.00 0.00 C ATOM 1092 C VAL A 69 5.392 -7.568 -8.493 1.00 0.00 C ATOM 1093 O VAL A 69 4.889 -7.337 -7.394 1.00 0.00 O ATOM 1094 CB VAL A 69 4.707 -5.228 -9.073 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.708 -4.149 -10.144 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.291 -5.502 -8.587 1.00 0.00 C ATOM 0 H VAL A 69 3.822 -7.522 -10.619 1.00 0.00 H new ATOM 0 HA VAL A 69 6.393 -6.297 -9.898 1.00 0.00 H new ATOM 0 HB VAL A 69 5.291 -4.871 -8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.239 -3.247 -9.752 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.734 -3.927 -10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.152 -4.499 -11.014 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.847 -4.577 -8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.692 -5.888 -9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.318 -6.237 -7.783 1.00 0.00 H new ATOM 1106 N SER A 70 5.985 -8.721 -8.783 1.00 0.00 N ATOM 1107 CA SER A 70 6.073 -9.800 -7.805 1.00 0.00 C ATOM 1108 C SER A 70 7.289 -9.625 -6.897 1.00 0.00 C ATOM 1109 O SER A 70 8.394 -9.356 -7.369 1.00 0.00 O ATOM 1110 CB SER A 70 6.144 -11.155 -8.512 1.00 0.00 C ATOM 1111 OG SER A 70 5.098 -11.292 -9.459 1.00 0.00 O ATOM 0 H SER A 70 6.411 -8.933 -9.685 1.00 0.00 H new ATOM 0 HA SER A 70 5.175 -9.764 -7.188 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.107 -11.258 -9.012 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.080 -11.956 -7.776 1.00 0.00 H new ATOM 0 HG SER A 70 5.167 -12.165 -9.898 1.00 0.00 H new ATOM 1117 N PHE A 71 7.076 -9.780 -5.592 1.00 0.00 N ATOM 1118 CA PHE A 71 8.153 -9.641 -4.617 1.00 0.00 C ATOM 1119 C PHE A 71 7.879 -10.464 -3.368 1.00 0.00 C ATOM 1120 O PHE A 71 6.858 -10.296 -2.704 1.00 0.00 O ATOM 1121 CB PHE A 71 8.363 -8.170 -4.257 1.00 0.00 C ATOM 1122 CG PHE A 71 9.722 -7.661 -4.646 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.846 -8.038 -3.932 1.00 0.00 C ATOM 1124 CD2 PHE A 71 9.875 -6.815 -5.733 1.00 0.00 C ATOM 1125 CE1 PHE A 71 12.100 -7.581 -4.291 1.00 0.00 C ATOM 1126 CE2 PHE A 71 11.126 -6.353 -6.096 1.00 0.00 C ATOM 1127 CZ PHE A 71 12.239 -6.737 -5.374 1.00 0.00 C ATOM 0 H PHE A 71 6.167 -10.002 -5.186 1.00 0.00 H new ATOM 0 HA PHE A 71 9.067 -10.022 -5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.600 -7.568 -4.751 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.226 -8.041 -3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.742 -8.698 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.008 -6.514 -6.302 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.969 -7.884 -3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.233 -5.692 -6.944 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.217 -6.377 -5.657 1.00 0.00 H new ATOM 1137 N LEU A 72 8.824 -11.354 -3.076 1.00 0.00 N ATOM 1138 CA LEU A 72 8.784 -12.257 -1.922 1.00 0.00 C ATOM 1139 C LEU A 72 7.844 -11.796 -0.802 1.00 0.00 C ATOM 1140 O LEU A 72 7.115 -12.606 -0.230 1.00 0.00 O ATOM 1141 CB LEU A 72 10.196 -12.389 -1.366 1.00 0.00 C ATOM 1142 CG LEU A 72 10.941 -11.061 -1.248 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.657 -10.414 0.101 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.435 -11.265 -1.443 1.00 0.00 C ATOM 0 H LEU A 72 9.661 -11.473 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 72 8.392 -13.210 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.146 -12.855 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.768 -13.059 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 72 10.585 -10.393 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.194 -9.468 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.587 -10.231 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.986 -11.079 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.948 -10.307 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.811 -11.949 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.619 -11.686 -2.432 1.00 0.00 H new ATOM 1156 N SER A 73 7.875 -10.506 -0.476 1.00 0.00 N ATOM 1157 CA SER A 73 7.034 -9.980 0.593 1.00 0.00 C ATOM 1158 C SER A 73 6.665 -8.521 0.359 1.00 0.00 C ATOM 1159 O SER A 73 6.946 -7.956 -0.698 1.00 0.00 O ATOM 1160 CB SER A 73 7.742 -10.124 1.941 1.00 0.00 C ATOM 1161 OG SER A 73 6.883 -9.770 3.010 1.00 0.00 O ATOM 0 H SER A 73 8.468 -9.813 -0.932 1.00 0.00 H new ATOM 0 HA SER A 73 6.112 -10.562 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.082 -11.152 2.069 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.629 -9.491 1.959 1.00 0.00 H new ATOM 0 HG SER A 73 7.359 -9.873 3.860 1.00 0.00 H new ATOM 1167 N LEU A 74 6.023 -7.922 1.359 1.00 0.00 N ATOM 1168 CA LEU A 74 5.597 -6.531 1.284 1.00 0.00 C ATOM 1169 C LEU A 74 6.779 -5.570 1.290 1.00 0.00 C ATOM 1170 O LEU A 74 6.978 -4.821 0.336 1.00 0.00 O ATOM 1171 CB LEU A 74 4.677 -6.199 2.439 1.00 0.00 C ATOM 1172 CG LEU A 74 3.223 -6.550 2.187 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.398 -6.187 3.400 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.722 -5.835 0.935 1.00 0.00 C ATOM 0 H LEU A 74 5.786 -8.385 2.237 1.00 0.00 H new ATOM 0 HA LEU A 74 5.066 -6.410 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.020 -6.729 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.751 -5.133 2.655 1.00 0.00 H new ATOM 0 HG LEU A 74 3.127 -7.622 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.353 -6.439 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.760 -6.742 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.485 -5.118 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.677 -6.093 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.812 -4.757 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.319 -6.143 0.077 1.00 0.00 H new ATOM 1186 N PRO A 75 7.584 -5.566 2.374 1.00 0.00 N ATOM 1187 CA PRO A 75 8.743 -4.684 2.494 1.00 0.00 C ATOM 1188 C PRO A 75 9.536 -4.620 1.198 1.00 0.00 C ATOM 1189 O PRO A 75 10.070 -3.574 0.830 1.00 0.00 O ATOM 1190 CB PRO A 75 9.582 -5.321 3.617 1.00 0.00 C ATOM 1191 CG PRO A 75 8.857 -6.568 4.024 1.00 0.00 C ATOM 1192 CD PRO A 75 7.436 -6.406 3.565 1.00 0.00 C ATOM 0 HA PRO A 75 8.455 -3.655 2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.588 -5.552 3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.686 -4.638 4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.313 -7.447 3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.902 -6.708 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.973 -7.365 3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.816 -5.929 4.324 1.00 0.00 H new ATOM 1200 N GLU A 76 9.587 -5.746 0.497 1.00 0.00 N ATOM 1201 CA GLU A 76 10.294 -5.816 -0.769 1.00 0.00 C ATOM 1202 C GLU A 76 9.344 -5.520 -1.921 1.00 0.00 C ATOM 1203 O GLU A 76 9.762 -5.019 -2.966 1.00 0.00 O ATOM 1204 CB GLU A 76 10.940 -7.189 -0.948 1.00 0.00 C ATOM 1205 CG GLU A 76 11.733 -7.650 0.265 1.00 0.00 C ATOM 1206 CD GLU A 76 12.702 -6.596 0.767 1.00 0.00 C ATOM 1207 OE1 GLU A 76 13.696 -6.319 0.063 1.00 0.00 O ATOM 1208 OE2 GLU A 76 12.465 -6.048 1.865 1.00 0.00 O ATOM 0 H GLU A 76 9.147 -6.620 0.786 1.00 0.00 H new ATOM 0 HA GLU A 76 11.083 -5.064 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.163 -7.922 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.601 -7.161 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.043 -7.914 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.286 -8.554 0.010 1.00 0.00 H new ATOM 1215 N LEU A 77 8.056 -5.808 -1.725 1.00 0.00 N ATOM 1216 CA LEU A 77 7.064 -5.539 -2.755 1.00 0.00 C ATOM 1217 C LEU A 77 6.878 -4.032 -2.903 1.00 0.00 C ATOM 1218 O LEU A 77 6.768 -3.515 -4.014 1.00 0.00 O ATOM 1219 CB LEU A 77 5.737 -6.230 -2.410 1.00 0.00 C ATOM 1220 CG LEU A 77 4.467 -5.584 -2.981 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.062 -4.372 -2.150 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.665 -5.199 -4.444 1.00 0.00 C ATOM 0 H LEU A 77 7.683 -6.223 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 77 7.411 -5.941 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.786 -7.260 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.643 -6.269 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 77 3.660 -6.315 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.160 -3.928 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.869 -4.683 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.867 -3.638 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.752 -4.743 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.487 -4.488 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.898 -6.090 -5.027 1.00 0.00 H new ATOM 1234 N VAL A 78 6.861 -3.334 -1.772 1.00 0.00 N ATOM 1235 CA VAL A 78 6.706 -1.887 -1.772 1.00 0.00 C ATOM 1236 C VAL A 78 7.991 -1.221 -2.260 1.00 0.00 C ATOM 1237 O VAL A 78 7.948 -0.236 -2.996 1.00 0.00 O ATOM 1238 CB VAL A 78 6.340 -1.354 -0.367 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.388 0.169 -0.325 1.00 0.00 C ATOM 1240 CG2 VAL A 78 4.964 -1.858 0.053 1.00 0.00 C ATOM 0 H VAL A 78 6.953 -3.749 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 78 5.888 -1.641 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 78 7.080 -1.732 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.126 0.514 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.393 0.508 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.679 0.575 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.723 -1.473 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.217 -1.514 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.968 -2.948 0.078 1.00 0.00 H new ATOM 1250 N ASN A 79 9.134 -1.770 -1.851 1.00 0.00 N ATOM 1251 CA ASN A 79 10.428 -1.230 -2.260 1.00 0.00 C ATOM 1252 C ASN A 79 10.467 -1.029 -3.771 1.00 0.00 C ATOM 1253 O ASN A 79 10.915 0.009 -4.262 1.00 0.00 O ATOM 1254 CB ASN A 79 11.558 -2.166 -1.825 1.00 0.00 C ATOM 1255 CG ASN A 79 12.930 -1.568 -2.071 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.424 -0.772 -1.274 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.552 -1.950 -3.181 1.00 0.00 N ATOM 0 H ASN A 79 9.190 -2.585 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 79 10.567 -0.264 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.449 -2.395 -0.765 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.473 -3.109 -2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.477 -1.580 -3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.104 -2.613 -3.814 1.00 0.00 H new ATOM 1264 N TYR A 80 9.980 -2.027 -4.502 1.00 0.00 N ATOM 1265 CA TYR A 80 9.941 -1.958 -5.956 1.00 0.00 C ATOM 1266 C TYR A 80 8.901 -0.943 -6.406 1.00 0.00 C ATOM 1267 O TYR A 80 9.062 -0.283 -7.434 1.00 0.00 O ATOM 1268 CB TYR A 80 9.619 -3.333 -6.545 1.00 0.00 C ATOM 1269 CG TYR A 80 9.561 -3.348 -8.056 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.602 -2.827 -8.814 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.467 -3.884 -8.725 1.00 0.00 C ATOM 1272 CE1 TYR A 80 10.556 -2.840 -10.195 1.00 0.00 C ATOM 1273 CE2 TYR A 80 8.414 -3.901 -10.105 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.459 -3.377 -10.836 1.00 0.00 C ATOM 1275 OH TYR A 80 9.409 -3.392 -12.210 1.00 0.00 O ATOM 0 H TYR A 80 9.607 -2.892 -4.110 1.00 0.00 H new ATOM 0 HA TYR A 80 10.921 -1.643 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.373 -4.047 -6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.662 -3.673 -6.150 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.462 -2.405 -8.315 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.645 -4.294 -8.157 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.375 -2.432 -10.769 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.557 -4.323 -10.610 1.00 0.00 H new ATOM 0 HH TYR A 80 8.570 -3.805 -12.502 1.00 0.00 H new ATOM 1285 N HIS A 81 7.833 -0.817 -5.623 1.00 0.00 N ATOM 1286 CA HIS A 81 6.767 0.123 -5.933 1.00 0.00 C ATOM 1287 C HIS A 81 7.288 1.553 -5.885 1.00 0.00 C ATOM 1288 O HIS A 81 6.839 2.412 -6.642 1.00 0.00 O ATOM 1289 CB HIS A 81 5.605 -0.037 -4.950 1.00 0.00 C ATOM 1290 CG HIS A 81 4.423 -0.749 -5.528 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.065 -0.647 -6.854 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.516 -1.579 -4.958 1.00 0.00 C ATOM 1293 CE1 HIS A 81 2.993 -1.384 -7.078 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.640 -1.961 -5.945 1.00 0.00 N ATOM 0 H HIS A 81 7.685 -1.356 -4.769 1.00 0.00 H new ATOM 0 HA HIS A 81 6.409 -0.091 -6.940 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.954 -0.583 -4.074 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.292 0.949 -4.607 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.553 -0.088 -7.554 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.487 -1.883 -3.922 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.490 -1.496 -8.027 1.00 0.00 H new ATOM 1303 N ARG A 82 8.239 1.806 -4.987 1.00 0.00 N ATOM 1304 CA ARG A 82 8.807 3.139 -4.856 1.00 0.00 C ATOM 1305 C ARG A 82 9.703 3.459 -6.031 1.00 0.00 C ATOM 1306 O ARG A 82 9.771 4.597 -6.491 1.00 0.00 O ATOM 1307 CB ARG A 82 9.582 3.288 -3.548 1.00 0.00 C ATOM 1308 CG ARG A 82 10.218 4.660 -3.386 1.00 0.00 C ATOM 1309 CD ARG A 82 10.955 4.783 -2.062 1.00 0.00 C ATOM 1310 NE ARG A 82 12.040 5.760 -2.129 1.00 0.00 N ATOM 1311 CZ ARG A 82 12.627 6.290 -1.058 1.00 0.00 C ATOM 1312 NH1 ARG A 82 12.239 5.940 0.161 1.00 0.00 N ATOM 1313 NH2 ARG A 82 13.606 7.171 -1.208 1.00 0.00 N ATOM 0 H ARG A 82 8.626 1.112 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 82 7.979 3.848 -4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.909 3.105 -2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.360 2.526 -3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.912 4.839 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.447 5.428 -3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.252 5.074 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.359 3.811 -1.780 1.00 0.00 H new ATOM 0 HE ARG A 82 12.366 6.053 -3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.487 5.261 0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.692 6.349 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.909 7.442 -2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.056 7.578 -0.388 1.00 0.00 H new ATOM 1327 N ALA A 83 10.368 2.444 -6.529 1.00 0.00 N ATOM 1328 CA ALA A 83 11.234 2.612 -7.678 1.00 0.00 C ATOM 1329 C ALA A 83 10.369 2.791 -8.914 1.00 0.00 C ATOM 1330 O ALA A 83 10.341 3.858 -9.525 1.00 0.00 O ATOM 1331 CB ALA A 83 12.161 1.417 -7.835 1.00 0.00 C ATOM 0 H ALA A 83 10.328 1.494 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 83 11.861 3.493 -7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.802 1.565 -8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.778 1.315 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.568 0.512 -7.971 1.00 0.00 H new ATOM 1337 N GLN A 84 9.641 1.736 -9.249 1.00 0.00 N ATOM 1338 CA GLN A 84 8.732 1.754 -10.386 1.00 0.00 C ATOM 1339 C GLN A 84 7.301 2.031 -9.932 1.00 0.00 C ATOM 1340 O GLN A 84 6.842 1.474 -8.936 1.00 0.00 O ATOM 1341 CB GLN A 84 8.798 0.427 -11.146 1.00 0.00 C ATOM 1342 CG GLN A 84 9.807 0.427 -12.282 1.00 0.00 C ATOM 1343 CD GLN A 84 11.127 -0.204 -11.888 1.00 0.00 C ATOM 1344 OE1 GLN A 84 11.707 0.135 -10.856 1.00 0.00 O ATOM 1345 NE2 GLN A 84 11.612 -1.128 -12.711 1.00 0.00 N ATOM 0 H GLN A 84 9.663 0.850 -8.745 1.00 0.00 H new ATOM 0 HA GLN A 84 9.042 2.557 -11.055 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.050 -0.370 -10.447 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.811 0.198 -11.548 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.391 -0.112 -13.133 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.982 1.452 -12.608 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.098 -1.379 -13.556 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.498 -1.586 -12.498 1.00 0.00 H new ATOM 1354 N SER A 85 6.593 2.873 -10.674 1.00 0.00 N ATOM 1355 CA SER A 85 5.206 3.192 -10.349 1.00 0.00 C ATOM 1356 C SER A 85 4.260 2.299 -11.150 1.00 0.00 C ATOM 1357 O SER A 85 3.228 2.753 -11.648 1.00 0.00 O ATOM 1358 CB SER A 85 4.913 4.665 -10.641 1.00 0.00 C ATOM 1359 OG SER A 85 5.793 5.173 -11.630 1.00 0.00 O ATOM 0 H SER A 85 6.953 3.347 -11.502 1.00 0.00 H new ATOM 0 HA SER A 85 5.048 3.011 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.882 4.775 -10.976 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.014 5.248 -9.725 1.00 0.00 H new ATOM 0 HG SER A 85 5.585 6.115 -11.800 1.00 0.00 H new ATOM 1365 N LEU A 86 4.631 1.028 -11.282 1.00 0.00 N ATOM 1366 CA LEU A 86 3.838 0.061 -12.035 1.00 0.00 C ATOM 1367 C LEU A 86 2.396 -0.005 -11.542 1.00 0.00 C ATOM 1368 O LEU A 86 2.124 -0.479 -10.439 1.00 0.00 O ATOM 1369 CB LEU A 86 4.481 -1.327 -11.949 1.00 0.00 C ATOM 1370 CG LEU A 86 4.716 -2.013 -13.295 1.00 0.00 C ATOM 1371 CD1 LEU A 86 3.416 -2.110 -14.079 1.00 0.00 C ATOM 1372 CD2 LEU A 86 5.771 -1.266 -14.096 1.00 0.00 C ATOM 0 H LEU A 86 5.482 0.642 -10.874 1.00 0.00 H new ATOM 0 HA LEU A 86 3.818 0.393 -13.073 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.436 -1.237 -11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.846 -1.968 -11.337 1.00 0.00 H new ATOM 0 HG LEU A 86 5.079 -3.024 -13.108 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.603 -2.601 -15.034 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.690 -2.689 -13.509 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.023 -1.109 -14.256 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.926 -1.768 -15.051 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.437 -0.244 -14.273 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.708 -1.250 -13.539 1.00 0.00 H new ATOM 1384 N SER A 87 1.475 0.463 -12.384 1.00 0.00 N ATOM 1385 CA SER A 87 0.045 0.457 -12.070 1.00 0.00 C ATOM 1386 C SER A 87 -0.228 0.814 -10.611 1.00 0.00 C ATOM 1387 O SER A 87 -1.191 0.330 -10.017 1.00 0.00 O ATOM 1388 CB SER A 87 -0.555 -0.915 -12.385 1.00 0.00 C ATOM 1389 OG SER A 87 -1.968 -0.849 -12.459 1.00 0.00 O ATOM 0 H SER A 87 1.697 0.855 -13.299 1.00 0.00 H new ATOM 0 HA SER A 87 -0.425 1.220 -12.690 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.155 -1.282 -13.330 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.261 -1.629 -11.616 1.00 0.00 H new ATOM 0 HG SER A 87 -2.319 -0.431 -11.645 1.00 0.00 H new ATOM 1395 N HIS A 88 0.615 1.666 -10.038 1.00 0.00 N ATOM 1396 CA HIS A 88 0.443 2.081 -8.653 1.00 0.00 C ATOM 1397 C HIS A 88 0.458 3.600 -8.537 1.00 0.00 C ATOM 1398 O HIS A 88 1.414 4.259 -8.945 1.00 0.00 O ATOM 1399 CB HIS A 88 1.518 1.457 -7.760 1.00 0.00 C ATOM 1400 CG HIS A 88 1.391 1.834 -6.318 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.359 0.907 -5.298 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.286 3.047 -5.725 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.237 1.533 -4.142 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.193 2.831 -4.373 1.00 0.00 N ATOM 0 H HIS A 88 1.419 2.080 -10.509 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.529 1.725 -8.312 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.468 0.372 -7.849 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.500 1.761 -8.121 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.420 -0.104 -5.418 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.277 4.005 -6.223 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.182 1.062 -3.172 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.624 4.142 -7.987 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.754 5.579 -7.830 1.00 0.00 C ATOM 1415 C GLY A 89 0.414 6.216 -7.106 1.00 0.00 C ATOM 1416 O GLY A 89 0.374 6.410 -5.893 1.00 0.00 O ATOM 0 H GLY A 89 -1.421 3.605 -7.644 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.854 6.036 -8.814 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.672 5.795 -7.283 1.00 0.00 H new ATOM 1420 N LEU A 90 1.448 6.557 -7.860 1.00 0.00 N ATOM 1421 CA LEU A 90 2.638 7.199 -7.304 1.00 0.00 C ATOM 1422 C LEU A 90 3.521 6.193 -6.578 1.00 0.00 C ATOM 1423 O LEU A 90 3.031 5.292 -5.897 1.00 0.00 O ATOM 1424 CB LEU A 90 2.243 8.336 -6.355 1.00 0.00 C ATOM 1425 CG LEU A 90 2.929 9.676 -6.629 1.00 0.00 C ATOM 1426 CD1 LEU A 90 1.916 10.736 -7.042 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.718 10.135 -5.410 1.00 0.00 C ATOM 0 H LEU A 90 1.490 6.400 -8.867 1.00 0.00 H new ATOM 0 HA LEU A 90 3.209 7.614 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.164 8.479 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.470 8.031 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 90 3.624 9.534 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.431 11.678 -7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.403 10.415 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.188 10.874 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.198 11.090 -5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.043 10.252 -4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.479 9.393 -5.168 1.00 0.00 H new ATOM 1439 N ARG A 91 4.829 6.356 -6.731 1.00 0.00 N ATOM 1440 CA ARG A 91 5.792 5.469 -6.095 1.00 0.00 C ATOM 1441 C ARG A 91 5.784 5.646 -4.580 1.00 0.00 C ATOM 1442 O ARG A 91 5.876 6.764 -4.074 1.00 0.00 O ATOM 1443 CB ARG A 91 7.193 5.739 -6.642 1.00 0.00 C ATOM 1444 CG ARG A 91 7.486 5.035 -7.954 1.00 0.00 C ATOM 1445 CD ARG A 91 8.337 5.901 -8.867 1.00 0.00 C ATOM 1446 NE ARG A 91 9.476 6.490 -8.166 1.00 0.00 N ATOM 1447 CZ ARG A 91 10.271 7.418 -8.692 1.00 0.00 C ATOM 1448 NH1 ARG A 91 10.057 7.866 -9.923 1.00 0.00 N ATOM 1449 NH2 ARG A 91 11.286 7.899 -7.986 1.00 0.00 N ATOM 0 H ARG A 91 5.248 7.098 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 91 5.507 4.441 -6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.317 6.813 -6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.928 5.426 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.001 4.095 -7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.549 4.787 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.698 5.300 -9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.721 6.696 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 91 9.673 6.171 -7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.279 7.499 -10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.670 8.578 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.457 7.557 -7.040 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.896 8.610 -8.389 1.00 0.00 H new ATOM 1463 N LEU A 92 5.681 4.531 -3.862 1.00 0.00 N ATOM 1464 CA LEU A 92 5.671 4.553 -2.400 1.00 0.00 C ATOM 1465 C LEU A 92 6.842 5.380 -1.861 1.00 0.00 C ATOM 1466 O LEU A 92 7.978 4.909 -1.812 1.00 0.00 O ATOM 1467 CB LEU A 92 5.719 3.123 -1.856 1.00 0.00 C ATOM 1468 CG LEU A 92 4.362 2.394 -1.755 1.00 0.00 C ATOM 1469 CD1 LEU A 92 3.227 3.203 -2.377 1.00 0.00 C ATOM 1470 CD2 LEU A 92 4.439 1.019 -2.391 1.00 0.00 C ATOM 0 H LEU A 92 5.603 3.599 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 92 4.747 5.024 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.379 2.534 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.171 3.147 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 92 4.141 2.280 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.292 2.651 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.137 4.159 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.440 3.378 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.471 0.525 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.706 1.119 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.196 0.424 -1.880 1.00 0.00 H new ATOM 1482 N ALA A 93 6.555 6.627 -1.478 1.00 0.00 N ATOM 1483 CA ALA A 93 7.582 7.537 -0.967 1.00 0.00 C ATOM 1484 C ALA A 93 7.806 7.373 0.536 1.00 0.00 C ATOM 1485 O ALA A 93 8.771 6.737 0.959 1.00 0.00 O ATOM 1486 CB ALA A 93 7.210 8.977 -1.290 1.00 0.00 C ATOM 0 H ALA A 93 5.618 7.029 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 93 8.519 7.282 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.980 9.647 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.129 9.098 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.254 9.219 -0.825 1.00 0.00 H new ATOM 1492 N ALA A 94 6.915 7.954 1.342 1.00 0.00 N ATOM 1493 CA ALA A 94 7.030 7.871 2.798 1.00 0.00 C ATOM 1494 C ALA A 94 5.864 7.089 3.400 1.00 0.00 C ATOM 1495 O ALA A 94 4.887 6.807 2.719 1.00 0.00 O ATOM 1496 CB ALA A 94 7.099 9.266 3.400 1.00 0.00 C ATOM 0 H ALA A 94 6.109 8.485 1.012 1.00 0.00 H new ATOM 0 HA ALA A 94 7.950 7.337 3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.184 9.191 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.968 9.791 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.194 9.818 3.145 1.00 0.00 H new ATOM 1502 N PRO A 95 5.951 6.730 4.692 1.00 0.00 N ATOM 1503 CA PRO A 95 4.891 5.979 5.376 1.00 0.00 C ATOM 1504 C PRO A 95 3.702 6.861 5.736 1.00 0.00 C ATOM 1505 O PRO A 95 3.837 8.077 5.866 1.00 0.00 O ATOM 1506 CB PRO A 95 5.582 5.487 6.645 1.00 0.00 C ATOM 1507 CG PRO A 95 6.617 6.520 6.930 1.00 0.00 C ATOM 1508 CD PRO A 95 7.085 7.026 5.590 1.00 0.00 C ATOM 0 HA PRO A 95 4.483 5.183 4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.876 5.394 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.031 4.505 6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 95 6.203 7.331 7.530 1.00 0.00 H new ATOM 0 HG3 PRO A 95 7.445 6.095 7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.305 8.093 5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.995 6.521 5.266 1.00 0.00 H new ATOM 1516 N CYS A 96 2.539 6.241 5.900 1.00 0.00 N ATOM 1517 CA CYS A 96 1.332 6.977 6.251 1.00 0.00 C ATOM 1518 C CYS A 96 1.495 7.656 7.609 1.00 0.00 C ATOM 1519 O CYS A 96 2.608 7.776 8.120 1.00 0.00 O ATOM 1520 CB CYS A 96 0.121 6.041 6.268 1.00 0.00 C ATOM 1521 SG CYS A 96 -1.339 6.712 5.442 1.00 0.00 S ATOM 0 H CYS A 96 2.407 5.235 5.796 1.00 0.00 H new ATOM 0 HA CYS A 96 1.167 7.746 5.496 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.395 5.100 5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.133 5.811 7.303 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.048 7.864 4.915 1.00 0.00 H new ATOM 1527 N ARG A 97 0.384 8.099 8.187 1.00 0.00 N ATOM 1528 CA ARG A 97 0.416 8.766 9.483 1.00 0.00 C ATOM 1529 C ARG A 97 -0.994 8.968 10.032 1.00 0.00 C ATOM 1530 O ARG A 97 -1.959 9.059 9.273 1.00 0.00 O ATOM 1531 CB ARG A 97 1.135 10.112 9.364 1.00 0.00 C ATOM 1532 CG ARG A 97 2.267 10.290 10.361 1.00 0.00 C ATOM 1533 CD ARG A 97 2.539 11.760 10.636 1.00 0.00 C ATOM 1534 NE ARG A 97 3.718 11.952 11.476 1.00 0.00 N ATOM 1535 CZ ARG A 97 4.370 13.107 11.586 1.00 0.00 C ATOM 1536 NH1 ARG A 97 3.961 14.174 10.910 1.00 0.00 N ATOM 1537 NH2 ARG A 97 5.432 13.197 12.373 1.00 0.00 N ATOM 0 H ARG A 97 -0.547 8.009 7.780 1.00 0.00 H new ATOM 0 HA ARG A 97 0.962 8.130 10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.533 10.213 8.354 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.411 10.914 9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.015 9.785 11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.171 9.817 9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.678 12.286 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.671 12.204 11.123 1.00 0.00 H new ATOM 0 HE ARG A 97 4.062 11.154 12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.144 14.111 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.464 15.057 10.998 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.750 12.381 12.895 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.931 14.083 12.457 1.00 0.00 H new ATOM 1551 N LYS A 98 -1.103 9.037 11.355 1.00 0.00 N ATOM 1552 CA LYS A 98 -2.393 9.229 12.009 1.00 0.00 C ATOM 1553 C LYS A 98 -2.207 9.649 13.464 1.00 0.00 C ATOM 1554 O LYS A 98 -1.108 9.553 14.012 1.00 0.00 O ATOM 1555 CB LYS A 98 -3.221 7.943 11.938 1.00 0.00 C ATOM 1556 CG LYS A 98 -4.679 8.136 12.317 1.00 0.00 C ATOM 1557 CD LYS A 98 -5.562 7.057 11.710 1.00 0.00 C ATOM 1558 CE LYS A 98 -7.029 7.293 12.029 1.00 0.00 C ATOM 1559 NZ LYS A 98 -7.597 8.418 11.235 1.00 0.00 N ATOM 0 H LYS A 98 -0.313 8.963 11.996 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.924 10.024 11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.168 7.542 10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.778 7.199 12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.779 8.121 13.402 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.017 9.116 11.980 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.422 7.037 10.629 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.259 6.081 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.595 6.384 11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.139 7.507 13.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.615 8.503 11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.119 9.304 11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.455 8.234 10.221 1.00 0.00 H new ATOM 1573 N HIS A 99 -3.286 10.116 14.086 1.00 0.00 N ATOM 1574 CA HIS A 99 -3.242 10.552 15.479 1.00 0.00 C ATOM 1575 C HIS A 99 -2.422 11.830 15.622 1.00 0.00 C ATOM 1576 O HIS A 99 -1.281 11.901 15.166 1.00 0.00 O ATOM 1577 CB HIS A 99 -2.656 9.452 16.368 1.00 0.00 C ATOM 1578 CG HIS A 99 -3.297 9.367 17.718 1.00 0.00 C ATOM 1579 ND1 HIS A 99 -4.661 9.430 17.911 1.00 0.00 N ATOM 1580 CD2 HIS A 99 -2.752 9.221 18.950 1.00 0.00 C ATOM 1581 CE1 HIS A 99 -4.927 9.327 19.201 1.00 0.00 C ATOM 1582 NE2 HIS A 99 -3.786 9.198 19.852 1.00 0.00 N ATOM 0 H HIS A 99 -4.203 10.202 13.647 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.263 10.758 15.800 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.764 8.492 15.863 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -1.588 9.628 16.493 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.700 9.138 19.179 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -5.910 9.345 19.647 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.689 9.097 20.862 1.00 0.00 H new ATOM 1591 N GLU A 100 -3.010 12.838 16.259 1.00 0.00 N ATOM 1592 CA GLU A 100 -2.333 14.113 16.463 1.00 0.00 C ATOM 1593 C GLU A 100 -2.276 14.469 17.945 1.00 0.00 C ATOM 1594 O GLU A 100 -1.539 15.413 18.297 1.00 0.00 O ATOM 1595 CB GLU A 100 -3.048 15.221 15.687 1.00 0.00 C ATOM 1596 CG GLU A 100 -3.161 14.943 14.196 1.00 0.00 C ATOM 1597 CD GLU A 100 -4.600 14.860 13.725 1.00 0.00 C ATOM 1598 OE1 GLU A 100 -5.344 13.999 14.240 1.00 0.00 O ATOM 1599 OE2 GLU A 100 -4.982 15.655 12.841 1.00 0.00 O ATOM 1600 OXT GLU A 100 -2.971 13.801 18.740 1.00 0.00 O ATOM 0 H GLU A 100 -3.954 12.796 16.643 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.312 14.018 16.093 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.048 15.356 16.100 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.513 16.159 15.834 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.647 15.730 13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.653 14.007 13.965 1.00 0.00 H new TER 1607 GLU A 100