USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 621 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 49 HIS :FLIP no HD1:sc= -0.0304 F(o=-1.3,f=0.06) USER MOD Set 1.2: A 63 GLN : amide:sc= 0.0909 K(o=0.06,f=-2.9!) USER MOD Set 2.1: A 26 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 30 TYR OH : rot 157:sc= 1.06 USER MOD Set 2.3: A 62 HIS : no HD1:sc= 0.681 K(o=1.7,f=-3.9!) USER MOD Set 3.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0867 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 150:sc=0.000199 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.603 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0134 K(o=-0.013,f=-0.57) USER MOD Single : A 20 MET CE :methyl 138:sc= -0.355 (180deg=-1.85) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.303 K(o=0.3,f=-0.46) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.56) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0669 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= -1.46 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -95:sc= -0.0764 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 82 SER OG : rot 25:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.500 -0.126 0.317 1.00 0.00 N ATOM 2 CA GLY A 1 -3.003 -1.488 0.366 1.00 0.00 C ATOM 3 C GLY A 1 -1.802 -1.700 -0.534 1.00 0.00 C ATOM 4 O GLY A 1 -1.170 -0.739 -0.973 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.549 0.261 1.281 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.859 0.457 -0.258 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.449 -0.118 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.732 -1.736 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.799 -2.173 0.072 1.00 0.00 H new ATOM 8 N SER A 2 -1.485 -2.961 -0.808 1.00 0.00 N ATOM 9 CA SER A 2 -0.348 -3.296 -1.658 1.00 0.00 C ATOM 10 C SER A 2 -0.806 -3.618 -3.077 1.00 0.00 C ATOM 11 O SER A 2 -0.473 -2.907 -4.025 1.00 0.00 O ATOM 12 CB SER A 2 0.418 -4.485 -1.075 1.00 0.00 C ATOM 13 OG SER A 2 1.759 -4.502 -1.533 1.00 0.00 O ATOM 0 H SER A 2 -1.999 -3.768 -0.454 1.00 0.00 H new ATOM 0 HA SER A 2 0.313 -2.430 -1.696 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.403 -4.433 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.078 -5.414 -1.356 1.00 0.00 H new ATOM 0 HG SER A 2 2.228 -5.270 -1.145 1.00 0.00 H new ATOM 19 N SER A 3 -1.572 -4.695 -3.214 1.00 0.00 N ATOM 20 CA SER A 3 -2.073 -5.115 -4.518 1.00 0.00 C ATOM 21 C SER A 3 -3.599 -5.108 -4.541 1.00 0.00 C ATOM 22 O SER A 3 -4.247 -5.220 -3.502 1.00 0.00 O ATOM 23 CB SER A 3 -1.554 -6.512 -4.862 1.00 0.00 C ATOM 24 OG SER A 3 -0.487 -6.445 -5.793 1.00 0.00 O ATOM 0 H SER A 3 -1.859 -5.293 -2.439 1.00 0.00 H new ATOM 0 HA SER A 3 -1.711 -4.407 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.217 -7.012 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.364 -7.113 -5.275 1.00 0.00 H new ATOM 0 HG SER A 3 -0.172 -7.351 -5.995 1.00 0.00 H new ATOM 30 N GLY A 4 -4.166 -4.974 -5.736 1.00 0.00 N ATOM 31 CA GLY A 4 -5.610 -4.954 -5.874 1.00 0.00 C ATOM 32 C GLY A 4 -6.200 -3.586 -5.596 1.00 0.00 C ATOM 33 O GLY A 4 -7.355 -3.472 -5.185 1.00 0.00 O ATOM 0 H GLY A 4 -3.651 -4.879 -6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.880 -5.264 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.047 -5.681 -5.190 1.00 0.00 H new ATOM 37 N SER A 5 -5.405 -2.544 -5.819 1.00 0.00 N ATOM 38 CA SER A 5 -5.854 -1.176 -5.584 1.00 0.00 C ATOM 39 C SER A 5 -5.635 -0.313 -6.823 1.00 0.00 C ATOM 40 O SER A 5 -4.505 -0.139 -7.280 1.00 0.00 O ATOM 41 CB SER A 5 -5.113 -0.572 -4.389 1.00 0.00 C ATOM 42 OG SER A 5 -4.979 0.831 -4.530 1.00 0.00 O ATOM 0 H SER A 5 -4.447 -2.621 -6.162 1.00 0.00 H new ATOM 0 HA SER A 5 -6.921 -1.202 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.653 -0.799 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.127 -1.028 -4.300 1.00 0.00 H new ATOM 0 HG SER A 5 -4.504 1.194 -3.754 1.00 0.00 H new ATOM 48 N SER A 6 -6.724 0.226 -7.361 1.00 0.00 N ATOM 49 CA SER A 6 -6.653 1.069 -8.549 1.00 0.00 C ATOM 50 C SER A 6 -6.131 0.278 -9.745 1.00 0.00 C ATOM 51 O SER A 6 -4.947 0.338 -10.074 1.00 0.00 O ATOM 52 CB SER A 6 -5.751 2.277 -8.289 1.00 0.00 C ATOM 53 OG SER A 6 -6.105 2.927 -7.080 1.00 0.00 O ATOM 0 H SER A 6 -7.666 0.094 -6.993 1.00 0.00 H new ATOM 0 HA SER A 6 -7.660 1.419 -8.778 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.711 1.955 -8.241 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.829 2.979 -9.119 1.00 0.00 H new ATOM 0 HG SER A 6 -5.513 3.694 -6.936 1.00 0.00 H new ATOM 59 N GLY A 7 -7.025 -0.463 -10.393 1.00 0.00 N ATOM 60 CA GLY A 7 -6.637 -1.255 -11.545 1.00 0.00 C ATOM 61 C GLY A 7 -7.208 -0.713 -12.840 1.00 0.00 C ATOM 62 O GLY A 7 -6.494 -0.578 -13.834 1.00 0.00 O ATOM 0 H GLY A 7 -8.011 -0.529 -10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.550 -1.282 -11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.973 -2.283 -11.405 1.00 0.00 H new ATOM 66 N VAL A 8 -8.501 -0.404 -12.831 1.00 0.00 N ATOM 67 CA VAL A 8 -9.168 0.126 -14.014 1.00 0.00 C ATOM 68 C VAL A 8 -8.511 1.418 -14.484 1.00 0.00 C ATOM 69 O VAL A 8 -8.592 1.777 -15.659 1.00 0.00 O ATOM 70 CB VAL A 8 -10.661 0.391 -13.745 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.379 0.762 -15.033 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.309 -0.823 -13.095 1.00 0.00 C ATOM 0 H VAL A 8 -9.107 -0.512 -12.018 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.075 -0.630 -14.794 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.744 1.232 -13.056 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.433 0.945 -14.822 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.931 1.662 -15.453 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.289 -0.056 -15.748 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.364 -0.618 -12.912 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.216 -1.683 -13.758 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.812 -1.038 -12.149 1.00 0.00 H new ATOM 82 N SER A 9 -7.859 2.115 -13.558 1.00 0.00 N ATOM 83 CA SER A 9 -7.189 3.370 -13.877 1.00 0.00 C ATOM 84 C SER A 9 -5.931 3.121 -14.704 1.00 0.00 C ATOM 85 O SER A 9 -5.496 3.981 -15.469 1.00 0.00 O ATOM 86 CB SER A 9 -6.829 4.120 -12.593 1.00 0.00 C ATOM 87 OG SER A 9 -6.110 3.287 -11.700 1.00 0.00 O ATOM 0 H SER A 9 -7.781 1.832 -12.581 1.00 0.00 H new ATOM 0 HA SER A 9 -7.874 3.979 -14.466 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.231 4.998 -12.837 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.738 4.477 -12.110 1.00 0.00 H new ATOM 0 HG SER A 9 -5.500 3.834 -11.162 1.00 0.00 H new ATOM 93 N LYS A 10 -5.352 1.936 -14.544 1.00 0.00 N ATOM 94 CA LYS A 10 -4.145 1.569 -15.275 1.00 0.00 C ATOM 95 C LYS A 10 -4.457 0.549 -16.365 1.00 0.00 C ATOM 96 O LYS A 10 -3.581 -0.200 -16.796 1.00 0.00 O ATOM 97 CB LYS A 10 -3.095 1.002 -14.316 1.00 0.00 C ATOM 98 CG LYS A 10 -2.733 1.946 -13.183 1.00 0.00 C ATOM 99 CD LYS A 10 -1.291 2.415 -13.287 1.00 0.00 C ATOM 100 CE LYS A 10 -1.176 3.682 -14.122 1.00 0.00 C ATOM 101 NZ LYS A 10 -0.450 3.440 -15.399 1.00 0.00 N ATOM 0 H LYS A 10 -5.699 1.213 -13.914 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.749 2.468 -15.747 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.467 0.068 -13.895 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.193 0.761 -14.879 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.399 2.809 -13.200 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.885 1.444 -12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.894 2.599 -12.289 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.682 1.628 -13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.173 4.066 -14.338 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.656 4.449 -13.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.393 4.327 -15.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.510 3.097 -15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.960 2.726 -15.958 1.00 0.00 H new ATOM 115 N TRP A 11 -5.710 0.527 -16.806 1.00 0.00 N ATOM 116 CA TRP A 11 -6.137 -0.401 -17.847 1.00 0.00 C ATOM 117 C TRP A 11 -5.599 0.024 -19.209 1.00 0.00 C ATOM 118 O TRP A 11 -5.762 1.173 -19.620 1.00 0.00 O ATOM 119 CB TRP A 11 -7.663 -0.483 -17.891 1.00 0.00 C ATOM 120 CG TRP A 11 -8.214 -1.682 -17.180 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.644 -2.348 -16.133 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.444 -2.358 -17.467 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.445 -3.397 -15.751 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.555 -3.425 -16.553 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.462 -2.165 -18.404 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.643 -4.293 -16.553 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.541 -3.029 -18.403 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.625 -4.081 -17.482 1.00 0.00 C ATOM 0 H TRP A 11 -6.447 1.141 -16.459 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.734 -1.385 -17.609 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.081 0.419 -17.445 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.989 -0.505 -18.931 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.702 -2.088 -15.673 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.245 -4.049 -14.993 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.407 -1.355 -19.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.710 -5.105 -15.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.333 -2.891 -19.125 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.482 -4.738 -17.506 1.00 0.00 H new ATOM 139 N SER A 12 -4.957 -0.909 -19.905 1.00 0.00 N ATOM 140 CA SER A 12 -4.392 -0.630 -21.220 1.00 0.00 C ATOM 141 C SER A 12 -5.486 -0.240 -22.209 1.00 0.00 C ATOM 142 O SER A 12 -6.669 -0.514 -22.006 1.00 0.00 O ATOM 143 CB SER A 12 -3.629 -1.849 -21.740 1.00 0.00 C ATOM 144 OG SER A 12 -3.784 -2.957 -20.871 1.00 0.00 O ATOM 0 H SER A 12 -4.815 -1.865 -19.580 1.00 0.00 H new ATOM 0 HA SER A 12 -3.700 0.207 -21.121 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.989 -2.110 -22.735 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.571 -1.605 -21.838 1.00 0.00 H new ATOM 0 HG SER A 12 -3.288 -3.724 -21.227 1.00 0.00 H new ATOM 150 N PRO A 13 -5.083 0.416 -23.308 1.00 0.00 N ATOM 151 CA PRO A 13 -6.012 0.858 -24.352 1.00 0.00 C ATOM 152 C PRO A 13 -6.593 -0.310 -25.143 1.00 0.00 C ATOM 153 O PRO A 13 -7.619 -0.171 -25.808 1.00 0.00 O ATOM 154 CB PRO A 13 -5.141 1.734 -25.254 1.00 0.00 C ATOM 155 CG PRO A 13 -3.754 1.231 -25.047 1.00 0.00 C ATOM 156 CD PRO A 13 -3.688 0.776 -23.615 1.00 0.00 C ATOM 0 HA PRO A 13 -6.876 1.377 -23.936 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.441 1.648 -26.298 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.225 2.787 -24.984 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.531 0.410 -25.728 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.022 2.014 -25.242 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.017 -0.075 -23.494 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.323 1.566 -22.959 1.00 0.00 H new ATOM 164 N SER A 14 -5.930 -1.459 -25.065 1.00 0.00 N ATOM 165 CA SER A 14 -6.379 -2.650 -25.776 1.00 0.00 C ATOM 166 C SER A 14 -7.253 -3.522 -24.880 1.00 0.00 C ATOM 167 O SER A 14 -8.097 -4.276 -25.363 1.00 0.00 O ATOM 168 CB SER A 14 -5.177 -3.456 -26.275 1.00 0.00 C ATOM 169 OG SER A 14 -4.548 -2.809 -27.367 1.00 0.00 O ATOM 0 H SER A 14 -5.080 -1.590 -24.517 1.00 0.00 H new ATOM 0 HA SER A 14 -6.973 -2.329 -26.632 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.461 -3.587 -25.464 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.502 -4.452 -26.576 1.00 0.00 H new ATOM 0 HG SER A 14 -3.782 -3.342 -27.666 1.00 0.00 H new ATOM 175 N GLN A 15 -7.043 -3.411 -23.572 1.00 0.00 N ATOM 176 CA GLN A 15 -7.812 -4.189 -22.607 1.00 0.00 C ATOM 177 C GLN A 15 -9.269 -3.740 -22.582 1.00 0.00 C ATOM 178 O GLN A 15 -10.184 -4.564 -22.612 1.00 0.00 O ATOM 179 CB GLN A 15 -7.201 -4.056 -21.211 1.00 0.00 C ATOM 180 CG GLN A 15 -6.079 -5.046 -20.941 1.00 0.00 C ATOM 181 CD GLN A 15 -6.562 -6.298 -20.236 1.00 0.00 C ATOM 182 OE1 GLN A 15 -7.736 -6.657 -20.319 1.00 0.00 O ATOM 183 NE2 GLN A 15 -5.655 -6.970 -19.536 1.00 0.00 N ATOM 0 H GLN A 15 -6.348 -2.791 -23.157 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.779 -5.235 -22.913 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.818 -3.043 -21.086 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.984 -4.195 -20.466 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.610 -5.323 -21.885 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.313 -4.564 -20.333 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.692 -6.636 -19.495 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.921 -7.820 -19.040 1.00 0.00 H new ATOM 192 N VAL A 16 -9.478 -2.429 -22.528 1.00 0.00 N ATOM 193 CA VAL A 16 -10.824 -1.870 -22.499 1.00 0.00 C ATOM 194 C VAL A 16 -11.674 -2.427 -23.636 1.00 0.00 C ATOM 195 O VAL A 16 -12.869 -2.674 -23.469 1.00 0.00 O ATOM 196 CB VAL A 16 -10.796 -0.333 -22.599 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.208 0.231 -22.558 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.945 0.257 -21.486 1.00 0.00 C ATOM 0 H VAL A 16 -8.732 -1.734 -22.503 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.266 -2.156 -21.544 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.348 -0.056 -23.553 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.168 1.318 -22.630 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.783 -0.167 -23.394 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.686 -0.053 -21.621 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.936 1.344 -21.572 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.362 -0.027 -20.520 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.926 -0.122 -21.567 1.00 0.00 H new ATOM 208 N VAL A 17 -11.050 -2.622 -24.793 1.00 0.00 N ATOM 209 CA VAL A 17 -11.749 -3.152 -25.958 1.00 0.00 C ATOM 210 C VAL A 17 -12.332 -4.530 -25.670 1.00 0.00 C ATOM 211 O VAL A 17 -13.398 -4.883 -26.176 1.00 0.00 O ATOM 212 CB VAL A 17 -10.813 -3.248 -27.178 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.600 -3.615 -28.427 1.00 0.00 C ATOM 214 CG2 VAL A 17 -10.062 -1.940 -27.377 1.00 0.00 C ATOM 0 H VAL A 17 -10.062 -2.421 -24.949 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.559 -2.458 -26.183 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.083 -4.036 -26.993 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.922 -3.678 -29.278 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.088 -4.578 -28.279 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.354 -2.852 -28.619 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.405 -2.025 -28.243 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.775 -1.132 -27.541 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.466 -1.724 -26.490 1.00 0.00 H new ATOM 224 N ASP A 18 -11.628 -5.306 -24.853 1.00 0.00 N ATOM 225 CA ASP A 18 -12.077 -6.646 -24.495 1.00 0.00 C ATOM 226 C ASP A 18 -13.285 -6.585 -23.566 1.00 0.00 C ATOM 227 O ASP A 18 -14.094 -7.512 -23.522 1.00 0.00 O ATOM 228 CB ASP A 18 -10.943 -7.425 -23.826 1.00 0.00 C ATOM 229 CG ASP A 18 -11.229 -8.912 -23.748 1.00 0.00 C ATOM 230 OD1 ASP A 18 -12.231 -9.290 -23.105 1.00 0.00 O ATOM 231 OD2 ASP A 18 -10.452 -9.697 -24.330 1.00 0.00 O ATOM 0 H ASP A 18 -10.744 -5.030 -24.426 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.371 -7.160 -25.410 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.019 -7.264 -24.381 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.782 -7.036 -22.821 1.00 0.00 H new ATOM 236 N TRP A 19 -13.400 -5.488 -22.825 1.00 0.00 N ATOM 237 CA TRP A 19 -14.510 -5.307 -21.896 1.00 0.00 C ATOM 238 C TRP A 19 -15.817 -5.082 -22.647 1.00 0.00 C ATOM 239 O TRP A 19 -16.851 -5.651 -22.297 1.00 0.00 O ATOM 240 CB TRP A 19 -14.233 -4.126 -20.964 1.00 0.00 C ATOM 241 CG TRP A 19 -15.386 -3.797 -20.065 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.968 -4.619 -19.143 1.00 0.00 C ATOM 243 CD2 TRP A 19 -16.098 -2.556 -20.004 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.999 -3.964 -18.513 1.00 0.00 N ATOM 245 CE2 TRP A 19 -17.098 -2.697 -19.022 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.986 -1.339 -20.682 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.979 -1.667 -18.705 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.862 -0.317 -20.366 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.847 -0.486 -19.384 1.00 0.00 C ATOM 0 H TRP A 19 -12.739 -4.712 -22.849 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.606 -6.216 -21.302 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.358 -4.351 -20.354 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.987 -3.249 -21.563 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.663 -5.635 -18.939 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.594 -4.358 -17.784 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.229 -1.199 -21.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.740 -1.795 -17.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.786 0.627 -20.885 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.515 0.332 -19.158 1.00 0.00 H new ATOM 260 N MET A 20 -15.765 -4.249 -23.682 1.00 0.00 N ATOM 261 CA MET A 20 -16.946 -3.951 -24.483 1.00 0.00 C ATOM 262 C MET A 20 -17.499 -5.217 -25.129 1.00 0.00 C ATOM 263 O MET A 20 -18.681 -5.289 -25.467 1.00 0.00 O ATOM 264 CB MET A 20 -16.611 -2.919 -25.561 1.00 0.00 C ATOM 265 CG MET A 20 -15.863 -1.706 -25.030 1.00 0.00 C ATOM 266 SD MET A 20 -15.613 -0.439 -26.288 1.00 0.00 S ATOM 267 CE MET A 20 -17.308 -0.043 -26.711 1.00 0.00 C ATOM 0 H MET A 20 -14.918 -3.769 -23.985 1.00 0.00 H new ATOM 0 HA MET A 20 -17.708 -3.540 -23.821 1.00 0.00 H new ATOM 0 HB2 MET A 20 -16.010 -3.396 -26.335 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.535 -2.587 -26.034 1.00 0.00 H new ATOM 0 HG2 MET A 20 -16.418 -1.279 -24.195 1.00 0.00 H new ATOM 0 HG3 MET A 20 -14.895 -2.022 -24.641 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.414 1.037 -26.818 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.571 -0.528 -27.651 1.00 0.00 H new ATOM 0 HE3 MET A 20 -17.972 -0.396 -25.922 1.00 0.00 H new ATOM 277 N LYS A 21 -16.637 -6.214 -25.298 1.00 0.00 N ATOM 278 CA LYS A 21 -17.038 -7.479 -25.902 1.00 0.00 C ATOM 279 C LYS A 21 -18.037 -8.214 -25.014 1.00 0.00 C ATOM 280 O LYS A 21 -18.693 -9.159 -25.451 1.00 0.00 O ATOM 281 CB LYS A 21 -15.813 -8.361 -26.150 1.00 0.00 C ATOM 282 CG LYS A 21 -14.834 -7.776 -27.153 1.00 0.00 C ATOM 283 CD LYS A 21 -13.967 -8.854 -27.780 1.00 0.00 C ATOM 284 CE LYS A 21 -13.088 -8.290 -28.886 1.00 0.00 C ATOM 285 NZ LYS A 21 -11.642 -8.523 -28.618 1.00 0.00 N ATOM 0 H LYS A 21 -15.655 -6.170 -25.025 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.519 -7.261 -26.855 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.296 -8.525 -25.204 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.144 -9.337 -26.505 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.383 -7.249 -27.934 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.200 -7.041 -26.658 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.341 -9.310 -27.013 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.601 -9.643 -28.185 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.360 -8.750 -29.836 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.271 -7.220 -28.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.076 -8.124 -29.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.376 -8.063 -27.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.462 -9.545 -28.548 1.00 0.00 H new ATOM 299 N GLY A 22 -18.147 -7.773 -23.764 1.00 0.00 N ATOM 300 CA GLY A 22 -19.069 -8.400 -22.835 1.00 0.00 C ATOM 301 C GLY A 22 -20.147 -7.448 -22.356 1.00 0.00 C ATOM 302 O GLY A 22 -20.678 -7.602 -21.256 1.00 0.00 O ATOM 0 H GLY A 22 -17.614 -6.993 -23.379 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.536 -9.260 -23.316 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.514 -8.777 -21.976 1.00 0.00 H new ATOM 306 N LEU A 23 -20.471 -6.460 -23.183 1.00 0.00 N ATOM 307 CA LEU A 23 -21.492 -5.478 -22.838 1.00 0.00 C ATOM 308 C LEU A 23 -22.658 -5.536 -23.819 1.00 0.00 C ATOM 309 O LEU A 23 -22.749 -6.451 -24.638 1.00 0.00 O ATOM 310 CB LEU A 23 -20.891 -4.071 -22.825 1.00 0.00 C ATOM 311 CG LEU A 23 -19.611 -3.896 -22.007 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.180 -2.437 -21.996 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.812 -4.404 -20.586 1.00 0.00 C ATOM 0 H LEU A 23 -20.041 -6.318 -24.097 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.867 -5.716 -21.843 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.684 -3.776 -23.854 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.642 -3.380 -22.440 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.821 -4.484 -22.474 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.268 -2.332 -21.409 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.995 -2.105 -23.017 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.968 -1.828 -21.553 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.891 -4.272 -20.019 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.616 -3.843 -20.109 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -20.074 -5.462 -20.611 1.00 0.00 H new ATOM 325 N ASP A 24 -23.547 -4.552 -23.733 1.00 0.00 N ATOM 326 CA ASP A 24 -24.706 -4.489 -24.616 1.00 0.00 C ATOM 327 C ASP A 24 -24.283 -4.610 -26.077 1.00 0.00 C ATOM 328 O ASP A 24 -23.245 -4.085 -26.478 1.00 0.00 O ATOM 329 CB ASP A 24 -25.468 -3.181 -24.399 1.00 0.00 C ATOM 330 CG ASP A 24 -26.963 -3.397 -24.266 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.433 -3.602 -23.128 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.662 -3.362 -25.301 1.00 0.00 O ATOM 0 H ASP A 24 -23.487 -3.787 -23.061 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.361 -5.326 -24.376 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.093 -2.690 -23.501 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.274 -2.508 -25.234 1.00 0.00 H new ATOM 337 N ASP A 25 -25.094 -5.306 -26.866 1.00 0.00 N ATOM 338 CA ASP A 25 -24.804 -5.496 -28.283 1.00 0.00 C ATOM 339 C ASP A 25 -24.712 -4.155 -29.003 1.00 0.00 C ATOM 340 O ASP A 25 -24.043 -4.035 -30.030 1.00 0.00 O ATOM 341 CB ASP A 25 -25.881 -6.366 -28.933 1.00 0.00 C ATOM 342 CG ASP A 25 -25.449 -7.812 -29.077 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.504 -8.074 -29.851 1.00 0.00 O ATOM 344 OD2 ASP A 25 -26.054 -8.681 -28.416 1.00 0.00 O ATOM 0 H ASP A 25 -25.957 -5.748 -26.549 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.841 -6.000 -28.368 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.791 -6.320 -28.335 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.125 -5.963 -29.916 1.00 0.00 H new ATOM 349 N CYS A 26 -25.390 -3.150 -28.460 1.00 0.00 N ATOM 350 CA CYS A 26 -25.386 -1.817 -29.052 1.00 0.00 C ATOM 351 C CYS A 26 -24.023 -1.153 -28.888 1.00 0.00 C ATOM 352 O CYS A 26 -23.670 -0.241 -29.637 1.00 0.00 O ATOM 353 CB CYS A 26 -26.471 -0.949 -28.413 1.00 0.00 C ATOM 354 SG CYS A 26 -28.114 -1.170 -29.133 1.00 0.00 S ATOM 0 H CYS A 26 -25.949 -3.233 -27.611 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.594 -1.919 -30.117 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.520 -1.174 -27.348 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.184 0.098 -28.505 1.00 0.00 H new ATOM 0 HG CYS A 26 -28.962 -0.395 -28.525 1.00 0.00 H new ATOM 360 N LEU A 27 -23.261 -1.614 -27.902 1.00 0.00 N ATOM 361 CA LEU A 27 -21.936 -1.064 -27.638 1.00 0.00 C ATOM 362 C LEU A 27 -20.856 -1.885 -28.335 1.00 0.00 C ATOM 363 O LEU A 27 -19.690 -1.854 -27.943 1.00 0.00 O ATOM 364 CB LEU A 27 -21.670 -1.024 -26.132 1.00 0.00 C ATOM 365 CG LEU A 27 -22.859 -0.639 -25.250 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.526 -0.854 -23.782 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.263 0.806 -25.501 1.00 0.00 C ATOM 0 H LEU A 27 -23.538 -2.367 -27.272 1.00 0.00 H new ATOM 0 HA LEU A 27 -21.906 -0.049 -28.034 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.315 -2.006 -25.820 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.861 -0.318 -25.945 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.701 -1.281 -25.508 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.383 -0.575 -23.170 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.286 -1.904 -23.613 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.669 -0.238 -23.509 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.110 1.063 -24.865 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.425 1.463 -25.271 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.544 0.929 -26.547 1.00 0.00 H new ATOM 379 N GLN A 28 -21.253 -2.616 -29.371 1.00 0.00 N ATOM 380 CA GLN A 28 -20.318 -3.444 -30.124 1.00 0.00 C ATOM 381 C GLN A 28 -19.745 -2.677 -31.311 1.00 0.00 C ATOM 382 O GLN A 28 -18.532 -2.651 -31.518 1.00 0.00 O ATOM 383 CB GLN A 28 -21.010 -4.718 -30.611 1.00 0.00 C ATOM 384 CG GLN A 28 -21.546 -5.588 -29.486 1.00 0.00 C ATOM 385 CD GLN A 28 -20.444 -6.155 -28.612 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.466 -6.712 -29.111 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.597 -6.016 -27.301 1.00 0.00 N ATOM 0 H GLN A 28 -22.215 -2.652 -29.708 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.497 -3.716 -29.460 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.833 -4.445 -31.271 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.305 -5.300 -31.205 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.227 -5.001 -28.870 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.126 -6.407 -29.910 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.424 -5.547 -26.931 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.888 -6.378 -26.664 1.00 0.00 H new ATOM 396 N GLN A 29 -20.626 -2.053 -32.087 1.00 0.00 N ATOM 397 CA GLN A 29 -20.207 -1.286 -33.254 1.00 0.00 C ATOM 398 C GLN A 29 -19.196 -0.212 -32.865 1.00 0.00 C ATOM 399 O GLN A 29 -18.382 0.214 -33.684 1.00 0.00 O ATOM 400 CB GLN A 29 -21.419 -0.642 -33.930 1.00 0.00 C ATOM 401 CG GLN A 29 -22.125 0.386 -33.061 1.00 0.00 C ATOM 402 CD GLN A 29 -23.627 0.388 -33.263 1.00 0.00 C ATOM 403 OE1 GLN A 29 -24.177 1.280 -33.909 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.300 -0.615 -32.711 1.00 0.00 N ATOM 0 H GLN A 29 -21.634 -2.064 -31.929 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.730 -1.971 -33.956 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.097 -0.164 -34.855 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.129 -1.422 -34.205 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.903 0.184 -32.013 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.731 1.377 -33.285 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -23.803 -1.333 -32.184 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.313 -0.667 -32.814 1.00 0.00 H new ATOM 413 N TYR A 30 -19.256 0.223 -31.611 1.00 0.00 N ATOM 414 CA TYR A 30 -18.348 1.250 -31.115 1.00 0.00 C ATOM 415 C TYR A 30 -16.963 0.668 -30.845 1.00 0.00 C ATOM 416 O TYR A 30 -15.961 1.383 -30.876 1.00 0.00 O ATOM 417 CB TYR A 30 -18.906 1.879 -29.837 1.00 0.00 C ATOM 418 CG TYR A 30 -20.266 2.515 -30.020 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.550 3.285 -31.141 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.267 2.344 -29.072 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.790 3.868 -31.311 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.511 2.922 -29.234 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.768 3.684 -30.355 1.00 0.00 C ATOM 424 OH TYR A 30 -24.005 4.262 -30.522 1.00 0.00 O ATOM 0 H TYR A 30 -19.924 -0.120 -30.920 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.256 2.019 -31.882 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.973 1.113 -29.064 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.206 2.634 -29.478 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.788 3.430 -31.892 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.069 1.749 -28.193 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -21.993 4.465 -32.188 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.278 2.778 -28.487 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.669 3.771 -29.994 1.00 0.00 H new ATOM 434 N ILE A 31 -16.916 -0.633 -30.581 1.00 0.00 N ATOM 435 CA ILE A 31 -15.655 -1.312 -30.308 1.00 0.00 C ATOM 436 C ILE A 31 -14.628 -1.023 -31.398 1.00 0.00 C ATOM 437 O ILE A 31 -13.439 -0.867 -31.120 1.00 0.00 O ATOM 438 CB ILE A 31 -15.850 -2.835 -30.192 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.869 -3.159 -29.098 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.521 -3.518 -29.904 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.136 -4.640 -28.941 1.00 0.00 C ATOM 0 H ILE A 31 -17.736 -1.238 -30.550 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.289 -0.928 -29.356 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.232 -3.211 -31.141 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.511 -2.760 -28.149 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.806 -2.651 -29.324 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.675 -4.594 -29.825 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.822 -3.310 -30.714 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.113 -3.140 -28.967 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.868 -4.796 -28.148 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.524 -5.041 -29.877 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.208 -5.152 -28.684 1.00 0.00 H new ATOM 453 N LYS A 32 -15.096 -0.952 -32.640 1.00 0.00 N ATOM 454 CA LYS A 32 -14.220 -0.679 -33.773 1.00 0.00 C ATOM 455 C LYS A 32 -13.537 0.677 -33.618 1.00 0.00 C ATOM 456 O LYS A 32 -12.396 0.859 -34.040 1.00 0.00 O ATOM 457 CB LYS A 32 -15.016 -0.715 -35.079 1.00 0.00 C ATOM 458 CG LYS A 32 -15.551 -2.093 -35.428 1.00 0.00 C ATOM 459 CD LYS A 32 -15.091 -2.538 -36.806 1.00 0.00 C ATOM 460 CE LYS A 32 -15.821 -1.785 -37.907 1.00 0.00 C ATOM 461 NZ LYS A 32 -14.885 -0.997 -38.756 1.00 0.00 N ATOM 0 H LYS A 32 -16.077 -1.080 -32.887 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.452 -1.452 -33.802 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.851 -0.018 -35.005 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.380 -0.365 -35.892 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.217 -2.814 -34.682 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.640 -2.081 -35.394 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.018 -2.375 -36.903 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.263 -3.608 -36.920 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.368 -2.493 -38.530 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.558 -1.116 -37.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.422 -0.499 -39.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.381 -0.304 -38.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.197 -1.638 -39.201 1.00 0.00 H new ATOM 475 N ASN A 33 -14.243 1.624 -33.010 1.00 0.00 N ATOM 476 CA ASN A 33 -13.704 2.963 -32.799 1.00 0.00 C ATOM 477 C ASN A 33 -12.754 2.985 -31.605 1.00 0.00 C ATOM 478 O ASN A 33 -11.741 3.684 -31.617 1.00 0.00 O ATOM 479 CB ASN A 33 -14.840 3.964 -32.579 1.00 0.00 C ATOM 480 CG ASN A 33 -15.834 3.971 -33.725 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.475 3.719 -34.875 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.093 4.260 -33.414 1.00 0.00 N ATOM 0 H ASN A 33 -15.190 1.490 -32.655 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.146 3.247 -33.691 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.360 3.722 -31.652 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.422 4.963 -32.458 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.807 4.279 -34.142 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.346 4.463 -32.447 1.00 0.00 H new ATOM 489 N PHE A 34 -13.089 2.214 -30.575 1.00 0.00 N ATOM 490 CA PHE A 34 -12.266 2.145 -29.373 1.00 0.00 C ATOM 491 C PHE A 34 -10.952 1.423 -29.655 1.00 0.00 C ATOM 492 O PHE A 34 -9.949 1.653 -28.979 1.00 0.00 O ATOM 493 CB PHE A 34 -13.023 1.430 -28.252 1.00 0.00 C ATOM 494 CG PHE A 34 -13.915 2.340 -27.457 1.00 0.00 C ATOM 495 CD1 PHE A 34 -15.072 2.860 -28.015 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.597 2.676 -26.151 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.894 3.698 -27.285 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.415 3.513 -25.416 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.566 4.024 -25.984 1.00 0.00 C ATOM 0 H PHE A 34 -13.924 1.629 -30.549 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.040 3.164 -29.058 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.625 0.630 -28.683 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.304 0.961 -27.580 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.334 2.608 -29.032 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.699 2.279 -25.702 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.792 4.098 -27.732 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.155 3.767 -24.399 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.208 4.677 -25.412 1.00 0.00 H new ATOM 509 N GLU A 35 -10.965 0.550 -30.657 1.00 0.00 N ATOM 510 CA GLU A 35 -9.775 -0.207 -31.026 1.00 0.00 C ATOM 511 C GLU A 35 -8.757 0.689 -31.726 1.00 0.00 C ATOM 512 O GLU A 35 -7.548 0.486 -31.605 1.00 0.00 O ATOM 513 CB GLU A 35 -10.150 -1.378 -31.937 1.00 0.00 C ATOM 514 CG GLU A 35 -9.670 -2.725 -31.424 1.00 0.00 C ATOM 515 CD GLU A 35 -8.158 -2.835 -31.400 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.538 -2.746 -32.480 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.594 -3.011 -30.299 1.00 0.00 O ATOM 0 H GLU A 35 -11.786 0.350 -31.228 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.325 -0.596 -30.113 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.234 -1.407 -32.050 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.730 -1.205 -32.928 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.058 -2.886 -30.418 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.078 -3.516 -32.053 1.00 0.00 H new ATOM 524 N ARG A 36 -9.254 1.681 -32.457 1.00 0.00 N ATOM 525 CA ARG A 36 -8.389 2.607 -33.178 1.00 0.00 C ATOM 526 C ARG A 36 -8.050 3.819 -32.314 1.00 0.00 C ATOM 527 O ARG A 36 -6.936 4.338 -32.367 1.00 0.00 O ATOM 528 CB ARG A 36 -9.061 3.064 -34.474 1.00 0.00 C ATOM 529 CG ARG A 36 -8.102 3.699 -35.467 1.00 0.00 C ATOM 530 CD ARG A 36 -8.842 4.294 -36.654 1.00 0.00 C ATOM 531 NE ARG A 36 -8.822 5.754 -36.635 1.00 0.00 N ATOM 532 CZ ARG A 36 -9.477 6.510 -37.510 1.00 0.00 C ATOM 533 NH1 ARG A 36 -10.199 5.946 -38.468 1.00 0.00 N ATOM 534 NH2 ARG A 36 -9.410 7.832 -37.428 1.00 0.00 N ATOM 0 H ARG A 36 -10.251 1.864 -32.566 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.464 2.085 -33.421 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.543 2.207 -34.945 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.847 3.780 -34.233 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.524 4.478 -34.969 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.392 2.950 -35.818 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.389 3.937 -37.579 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.875 3.945 -36.649 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.275 6.219 -35.910 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.253 4.930 -38.535 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.701 6.528 -39.138 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.855 8.270 -36.693 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.913 8.411 -38.100 1.00 0.00 H new ATOM 548 N GLU A 37 -9.019 4.262 -31.519 1.00 0.00 N ATOM 549 CA GLU A 37 -8.823 5.413 -30.645 1.00 0.00 C ATOM 550 C GLU A 37 -7.881 5.068 -29.495 1.00 0.00 C ATOM 551 O GLU A 37 -7.280 5.951 -28.883 1.00 0.00 O ATOM 552 CB GLU A 37 -10.165 5.896 -30.093 1.00 0.00 C ATOM 553 CG GLU A 37 -10.880 6.880 -31.004 1.00 0.00 C ATOM 554 CD GLU A 37 -11.026 8.254 -30.378 1.00 0.00 C ATOM 555 OE1 GLU A 37 -10.118 8.661 -29.624 1.00 0.00 O ATOM 556 OE2 GLU A 37 -12.048 8.921 -30.642 1.00 0.00 O ATOM 0 H GLU A 37 -9.947 3.842 -31.462 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.372 6.212 -31.234 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.811 5.034 -29.925 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.001 6.365 -29.123 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.330 6.968 -31.941 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.868 6.490 -31.250 1.00 0.00 H new ATOM 563 N LYS A 38 -7.759 3.777 -29.206 1.00 0.00 N ATOM 564 CA LYS A 38 -6.891 3.313 -28.130 1.00 0.00 C ATOM 565 C LYS A 38 -7.324 3.899 -26.790 1.00 0.00 C ATOM 566 O LYS A 38 -6.497 4.385 -26.018 1.00 0.00 O ATOM 567 CB LYS A 38 -5.437 3.694 -28.419 1.00 0.00 C ATOM 568 CG LYS A 38 -4.930 3.186 -29.758 1.00 0.00 C ATOM 569 CD LYS A 38 -3.888 2.094 -29.581 1.00 0.00 C ATOM 570 CE LYS A 38 -3.789 1.213 -30.817 1.00 0.00 C ATOM 571 NZ LYS A 38 -4.213 -0.187 -30.536 1.00 0.00 N ATOM 0 H LYS A 38 -8.250 3.033 -29.702 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.972 2.227 -28.075 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.342 4.780 -28.392 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.802 3.299 -27.626 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.766 2.802 -30.343 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.500 4.013 -30.323 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.917 2.546 -29.376 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.144 1.482 -28.716 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.411 1.629 -31.610 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.762 1.215 -31.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.131 -0.755 -31.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.604 -0.593 -29.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.201 -0.192 -30.211 1.00 0.00 H new ATOM 585 N ILE A 39 -8.624 3.848 -26.520 1.00 0.00 N ATOM 586 CA ILE A 39 -9.165 4.372 -25.272 1.00 0.00 C ATOM 587 C ILE A 39 -8.632 3.596 -24.073 1.00 0.00 C ATOM 588 O ILE A 39 -8.966 2.427 -23.879 1.00 0.00 O ATOM 589 CB ILE A 39 -10.705 4.319 -25.260 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.273 5.119 -26.434 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.243 4.850 -23.940 1.00 0.00 C ATOM 592 CD1 ILE A 39 -10.943 6.595 -26.376 1.00 0.00 C ATOM 0 H ILE A 39 -9.322 3.449 -27.148 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.844 5.411 -25.201 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.019 3.281 -25.366 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.887 4.705 -27.366 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.356 4.998 -26.456 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.332 4.806 -23.947 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.861 4.242 -23.120 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.922 5.883 -23.806 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.377 7.099 -27.239 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.353 7.024 -25.461 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.861 6.727 -26.386 1.00 0.00 H new ATOM 604 N SER A 40 -7.803 4.254 -23.270 1.00 0.00 N ATOM 605 CA SER A 40 -7.221 3.626 -22.089 1.00 0.00 C ATOM 606 C SER A 40 -8.160 3.743 -20.893 1.00 0.00 C ATOM 607 O SER A 40 -9.127 4.504 -20.920 1.00 0.00 O ATOM 608 CB SER A 40 -5.872 4.265 -21.757 1.00 0.00 C ATOM 609 OG SER A 40 -5.849 5.632 -22.132 1.00 0.00 O ATOM 0 H SER A 40 -7.519 5.223 -23.415 1.00 0.00 H new ATOM 0 HA SER A 40 -7.070 2.569 -22.308 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.676 4.174 -20.689 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.075 3.729 -22.274 1.00 0.00 H new ATOM 0 HG SER A 40 -4.977 6.018 -21.908 1.00 0.00 H new ATOM 615 N GLY A 41 -7.868 2.982 -19.842 1.00 0.00 N ATOM 616 CA GLY A 41 -8.695 3.014 -18.650 1.00 0.00 C ATOM 617 C GLY A 41 -8.762 4.395 -18.028 1.00 0.00 C ATOM 618 O GLY A 41 -9.830 4.844 -17.612 1.00 0.00 O ATOM 0 H GLY A 41 -7.073 2.344 -19.795 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.703 2.683 -18.902 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.301 2.308 -17.919 1.00 0.00 H new ATOM 622 N ASP A 42 -7.619 5.068 -17.963 1.00 0.00 N ATOM 623 CA ASP A 42 -7.552 6.406 -17.386 1.00 0.00 C ATOM 624 C ASP A 42 -8.580 7.329 -18.033 1.00 0.00 C ATOM 625 O ASP A 42 -9.067 8.267 -17.403 1.00 0.00 O ATOM 626 CB ASP A 42 -6.147 6.988 -17.556 1.00 0.00 C ATOM 627 CG ASP A 42 -6.087 8.464 -17.217 1.00 0.00 C ATOM 628 OD1 ASP A 42 -5.929 8.792 -16.023 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.200 9.291 -18.146 1.00 0.00 O ATOM 0 H ASP A 42 -6.726 4.710 -18.302 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.779 6.328 -16.323 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.451 6.443 -16.918 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.818 6.841 -18.585 1.00 0.00 H new ATOM 634 N GLN A 43 -8.903 7.056 -19.293 1.00 0.00 N ATOM 635 CA GLN A 43 -9.871 7.864 -20.025 1.00 0.00 C ATOM 636 C GLN A 43 -11.282 7.308 -19.855 1.00 0.00 C ATOM 637 O GLN A 43 -12.263 8.050 -19.911 1.00 0.00 O ATOM 638 CB GLN A 43 -9.505 7.916 -21.509 1.00 0.00 C ATOM 639 CG GLN A 43 -8.344 8.847 -21.817 1.00 0.00 C ATOM 640 CD GLN A 43 -8.605 9.725 -23.025 1.00 0.00 C ATOM 641 OE1 GLN A 43 -8.956 10.898 -22.891 1.00 0.00 O ATOM 642 NE2 GLN A 43 -8.435 9.161 -24.215 1.00 0.00 N ATOM 0 H GLN A 43 -8.509 6.282 -19.828 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.847 8.875 -19.617 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.254 6.911 -21.848 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.377 8.236 -22.079 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.149 9.478 -20.950 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.445 8.256 -21.990 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -8.143 8.186 -24.280 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.596 9.703 -25.064 1.00 0.00 H new ATOM 651 N LEU A 44 -11.376 5.999 -19.650 1.00 0.00 N ATOM 652 CA LEU A 44 -12.667 5.344 -19.473 1.00 0.00 C ATOM 653 C LEU A 44 -13.267 5.681 -18.111 1.00 0.00 C ATOM 654 O LEU A 44 -14.462 5.958 -17.999 1.00 0.00 O ATOM 655 CB LEU A 44 -12.515 3.828 -19.614 1.00 0.00 C ATOM 656 CG LEU A 44 -13.779 3.002 -19.373 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.500 2.734 -20.685 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.435 1.694 -18.675 1.00 0.00 C ATOM 0 H LEU A 44 -10.574 5.371 -19.602 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.341 5.710 -20.247 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.149 3.611 -20.618 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.748 3.493 -18.916 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.445 3.573 -18.726 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.397 2.145 -20.494 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.779 3.681 -21.147 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.841 2.184 -21.356 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.346 1.118 -18.511 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.749 1.119 -19.297 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.963 1.907 -17.716 1.00 0.00 H new ATOM 670 N LEU A 45 -12.430 5.658 -17.080 1.00 0.00 N ATOM 671 CA LEU A 45 -12.877 5.964 -15.725 1.00 0.00 C ATOM 672 C LEU A 45 -13.426 7.385 -15.641 1.00 0.00 C ATOM 673 O LEU A 45 -14.366 7.654 -14.893 1.00 0.00 O ATOM 674 CB LEU A 45 -11.723 5.791 -14.735 1.00 0.00 C ATOM 675 CG LEU A 45 -12.020 4.938 -13.502 1.00 0.00 C ATOM 676 CD1 LEU A 45 -12.489 3.550 -13.912 1.00 0.00 C ATOM 677 CD2 LEU A 45 -10.791 4.845 -12.609 1.00 0.00 C ATOM 0 H LEU A 45 -11.439 5.431 -17.156 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.676 5.270 -15.467 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.880 5.348 -15.264 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.406 6.779 -14.401 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.820 5.417 -12.937 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.695 2.958 -13.021 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.397 3.634 -14.510 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.711 3.062 -14.500 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.021 4.234 -11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.971 4.390 -13.165 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.500 5.844 -12.286 1.00 0.00 H new ATOM 689 N ARG A 46 -12.833 8.289 -16.414 1.00 0.00 N ATOM 690 CA ARG A 46 -13.264 9.682 -16.427 1.00 0.00 C ATOM 691 C ARG A 46 -13.884 10.047 -17.772 1.00 0.00 C ATOM 692 O ARG A 46 -13.720 11.166 -18.259 1.00 0.00 O ATOM 693 CB ARG A 46 -12.081 10.606 -16.131 1.00 0.00 C ATOM 694 CG ARG A 46 -11.047 10.648 -17.244 1.00 0.00 C ATOM 695 CD ARG A 46 -9.671 11.018 -16.713 1.00 0.00 C ATOM 696 NE ARG A 46 -9.491 12.464 -16.620 1.00 0.00 N ATOM 697 CZ ARG A 46 -8.303 13.054 -16.542 1.00 0.00 C ATOM 698 NH1 ARG A 46 -7.196 12.324 -16.547 1.00 0.00 N ATOM 699 NH2 ARG A 46 -8.221 14.375 -16.460 1.00 0.00 N ATOM 0 H ARG A 46 -12.054 8.082 -17.039 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.020 9.810 -15.652 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.454 11.615 -15.955 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.598 10.280 -15.210 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.999 9.676 -17.735 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.353 11.372 -17.999 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.530 10.571 -15.729 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.906 10.599 -17.366 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.323 13.054 -16.615 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.256 11.308 -16.611 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.285 12.779 -16.487 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.071 14.939 -16.457 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.308 14.827 -16.400 1.00 0.00 H new ATOM 713 N ILE A 47 -14.595 9.095 -18.367 1.00 0.00 N ATOM 714 CA ILE A 47 -15.240 9.317 -19.656 1.00 0.00 C ATOM 715 C ILE A 47 -16.566 10.049 -19.488 1.00 0.00 C ATOM 716 O ILE A 47 -17.361 9.724 -18.606 1.00 0.00 O ATOM 717 CB ILE A 47 -15.489 7.990 -20.396 1.00 0.00 C ATOM 718 CG1 ILE A 47 -15.946 8.259 -21.832 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.521 7.155 -19.654 1.00 0.00 C ATOM 720 CD1 ILE A 47 -14.935 7.842 -22.876 1.00 0.00 C ATOM 0 H ILE A 47 -14.739 8.163 -17.978 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.561 9.932 -20.247 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.554 7.430 -20.431 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -16.882 7.729 -22.012 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.155 9.323 -21.945 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.686 6.220 -20.190 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.159 6.938 -18.649 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.459 7.707 -19.591 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.326 8.062 -23.869 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.006 8.390 -22.722 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.744 6.772 -22.790 1.00 0.00 H new ATOM 732 N THR A 48 -16.802 11.040 -20.343 1.00 0.00 N ATOM 733 CA THR A 48 -18.032 11.819 -20.291 1.00 0.00 C ATOM 734 C THR A 48 -18.776 11.762 -21.620 1.00 0.00 C ATOM 735 O THR A 48 -18.247 11.272 -22.619 1.00 0.00 O ATOM 736 CB THR A 48 -17.751 13.291 -19.935 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.983 13.983 -19.702 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.980 13.979 -21.052 1.00 0.00 C ATOM 0 H THR A 48 -16.156 11.322 -21.080 1.00 0.00 H new ATOM 0 HA THR A 48 -18.653 11.377 -19.511 1.00 0.00 H new ATOM 0 HB THR A 48 -17.146 13.314 -19.029 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.795 14.918 -19.475 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.793 15.017 -20.779 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.030 13.468 -21.207 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.564 13.945 -21.972 1.00 0.00 H new ATOM 746 N HIS A 49 -20.006 12.266 -21.628 1.00 0.00 N ATOM 747 CA HIS A 49 -20.822 12.274 -22.836 1.00 0.00 C ATOM 748 C HIS A 49 -20.073 12.929 -23.993 1.00 0.00 C ATOM 749 O HIS A 49 -20.164 12.481 -25.136 1.00 0.00 O ATOM 750 CB HIS A 49 -22.138 13.010 -22.584 1.00 0.00 C ATOM 751 CG HIS A 49 -23.287 12.096 -22.286 1.00 0.00 C ATOM 752 ND1 HIS A 49 -24.276 11.628 -23.084 1.00 0.00 N flip ATOM 753 CD2 HIS A 49 -23.517 11.558 -21.038 1.00 0.00 C flip ATOM 754 CE1 HIS A 49 -25.075 10.822 -22.311 1.00 0.00 C flip ATOM 755 NE2 HIS A 49 -24.596 10.797 -21.080 1.00 0.00 N flip ATOM 0 H HIS A 49 -20.459 12.674 -20.811 1.00 0.00 H new ATOM 0 HA HIS A 49 -21.039 11.240 -23.105 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -22.006 13.698 -21.749 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.381 13.613 -23.459 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -22.910 11.732 -20.162 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -25.953 10.294 -22.654 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -24.992 10.279 -20.296 1.00 0.00 H new ATOM 763 N GLN A 50 -19.335 13.992 -23.688 1.00 0.00 N ATOM 764 CA GLN A 50 -18.573 14.709 -24.703 1.00 0.00 C ATOM 765 C GLN A 50 -17.489 13.818 -25.301 1.00 0.00 C ATOM 766 O GLN A 50 -17.140 13.950 -26.473 1.00 0.00 O ATOM 767 CB GLN A 50 -17.942 15.967 -24.104 1.00 0.00 C ATOM 768 CG GLN A 50 -18.376 17.252 -24.791 1.00 0.00 C ATOM 769 CD GLN A 50 -19.348 18.061 -23.956 1.00 0.00 C ATOM 770 OE1 GLN A 50 -18.965 18.679 -22.962 1.00 0.00 O ATOM 771 NE2 GLN A 50 -20.614 18.062 -24.356 1.00 0.00 N ATOM 0 H GLN A 50 -19.249 14.375 -22.747 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.259 14.999 -25.499 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -18.201 16.025 -23.047 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.857 15.882 -24.163 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -17.497 17.859 -25.007 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.839 17.010 -25.747 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -20.887 17.536 -25.186 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -21.314 18.589 -23.833 1.00 0.00 H new ATOM 780 N GLU A 51 -16.960 12.910 -24.486 1.00 0.00 N ATOM 781 CA GLU A 51 -15.915 11.998 -24.935 1.00 0.00 C ATOM 782 C GLU A 51 -16.493 10.909 -25.834 1.00 0.00 C ATOM 783 O GLU A 51 -16.021 10.696 -26.952 1.00 0.00 O ATOM 784 CB GLU A 51 -15.211 11.363 -23.734 1.00 0.00 C ATOM 785 CG GLU A 51 -14.326 12.329 -22.965 1.00 0.00 C ATOM 786 CD GLU A 51 -12.849 12.050 -23.161 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.451 10.870 -23.070 1.00 0.00 O ATOM 788 OE2 GLU A 51 -12.091 13.012 -23.406 1.00 0.00 O ATOM 0 H GLU A 51 -17.238 12.787 -23.512 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.189 12.573 -25.510 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.962 10.955 -23.058 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.605 10.526 -24.080 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.545 13.348 -23.284 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.565 12.269 -21.903 1.00 0.00 H new ATOM 795 N LEU A 52 -17.516 10.222 -25.339 1.00 0.00 N ATOM 796 CA LEU A 52 -18.159 9.154 -26.096 1.00 0.00 C ATOM 797 C LEU A 52 -18.620 9.656 -27.461 1.00 0.00 C ATOM 798 O LEU A 52 -18.639 8.904 -28.435 1.00 0.00 O ATOM 799 CB LEU A 52 -19.350 8.594 -25.317 1.00 0.00 C ATOM 800 CG LEU A 52 -19.033 7.490 -24.308 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.205 7.279 -23.361 1.00 0.00 C ATOM 802 CD2 LEU A 52 -18.686 6.194 -25.027 1.00 0.00 C ATOM 0 H LEU A 52 -17.918 10.385 -24.416 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.428 8.360 -26.249 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.831 9.416 -24.787 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.077 8.208 -26.032 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.169 7.799 -23.720 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.961 6.490 -22.650 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.407 8.204 -22.821 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.088 6.992 -23.933 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.463 5.419 -24.293 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.531 5.881 -25.640 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.815 6.353 -25.663 1.00 0.00 H new ATOM 814 N GLU A 53 -18.989 10.931 -27.523 1.00 0.00 N ATOM 815 CA GLU A 53 -19.448 11.533 -28.769 1.00 0.00 C ATOM 816 C GLU A 53 -18.326 11.566 -29.803 1.00 0.00 C ATOM 817 O GLU A 53 -18.577 11.516 -31.008 1.00 0.00 O ATOM 818 CB GLU A 53 -19.965 12.951 -28.516 1.00 0.00 C ATOM 819 CG GLU A 53 -21.230 13.284 -29.289 1.00 0.00 C ATOM 820 CD GLU A 53 -21.347 14.762 -29.608 1.00 0.00 C ATOM 821 OE1 GLU A 53 -20.956 15.586 -28.754 1.00 0.00 O ATOM 822 OE2 GLU A 53 -21.828 15.095 -30.711 1.00 0.00 O ATOM 0 H GLU A 53 -18.979 11.567 -26.726 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.261 10.922 -29.160 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.158 13.074 -27.450 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.187 13.666 -28.784 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.245 12.713 -30.218 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.098 12.971 -28.709 1.00 0.00 H new ATOM 829 N ASP A 54 -17.090 11.651 -29.324 1.00 0.00 N ATOM 830 CA ASP A 54 -15.930 11.689 -30.206 1.00 0.00 C ATOM 831 C ASP A 54 -15.657 10.314 -30.807 1.00 0.00 C ATOM 832 O ASP A 54 -15.222 10.200 -31.953 1.00 0.00 O ATOM 833 CB ASP A 54 -14.698 12.179 -29.442 1.00 0.00 C ATOM 834 CG ASP A 54 -13.617 12.708 -30.364 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.048 11.905 -31.132 1.00 0.00 O ATOM 836 OD2 ASP A 54 -13.341 13.925 -30.317 1.00 0.00 O ATOM 0 H ASP A 54 -16.866 11.695 -28.330 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.145 12.383 -31.018 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.994 12.964 -28.746 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.294 11.360 -28.846 1.00 0.00 H new ATOM 841 N LEU A 55 -15.915 9.271 -30.025 1.00 0.00 N ATOM 842 CA LEU A 55 -15.697 7.902 -30.479 1.00 0.00 C ATOM 843 C LEU A 55 -16.669 7.538 -31.597 1.00 0.00 C ATOM 844 O LEU A 55 -16.353 6.732 -32.471 1.00 0.00 O ATOM 845 CB LEU A 55 -15.855 6.926 -29.312 1.00 0.00 C ATOM 846 CG LEU A 55 -14.604 6.682 -28.468 1.00 0.00 C ATOM 847 CD1 LEU A 55 -13.544 5.955 -29.281 1.00 0.00 C ATOM 848 CD2 LEU A 55 -14.058 7.997 -27.931 1.00 0.00 C ATOM 0 H LEU A 55 -16.275 9.347 -29.074 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.681 7.831 -30.869 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.644 7.298 -28.658 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.194 5.969 -29.708 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.878 6.052 -27.621 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.661 5.790 -28.663 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.937 4.995 -29.616 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.273 6.558 -30.148 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.168 7.804 -27.333 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.801 8.651 -28.764 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.814 8.479 -27.311 1.00 0.00 H new ATOM 860 N GLY A 56 -17.855 8.139 -31.563 1.00 0.00 N ATOM 861 CA GLY A 56 -18.854 7.867 -32.579 1.00 0.00 C ATOM 862 C GLY A 56 -20.243 7.698 -31.996 1.00 0.00 C ATOM 863 O GLY A 56 -21.241 7.812 -32.707 1.00 0.00 O ATOM 0 H GLY A 56 -18.141 8.809 -30.850 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.864 8.683 -33.302 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.579 6.963 -33.122 1.00 0.00 H new ATOM 867 N VAL A 57 -20.309 7.423 -30.697 1.00 0.00 N ATOM 868 CA VAL A 57 -21.586 7.238 -30.018 1.00 0.00 C ATOM 869 C VAL A 57 -22.400 8.527 -30.017 1.00 0.00 C ATOM 870 O VAL A 57 -22.271 9.354 -29.115 1.00 0.00 O ATOM 871 CB VAL A 57 -21.386 6.769 -28.565 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.720 6.398 -27.935 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.418 5.597 -28.512 1.00 0.00 C ATOM 0 H VAL A 57 -19.493 7.323 -30.094 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.129 6.470 -30.569 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.957 7.591 -27.992 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.559 6.069 -26.908 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.378 7.267 -27.938 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.180 5.592 -28.506 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.288 5.279 -27.478 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.816 4.769 -29.099 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.455 5.902 -28.921 1.00 0.00 H new ATOM 883 N SER A 58 -23.240 8.690 -31.035 1.00 0.00 N ATOM 884 CA SER A 58 -24.074 9.880 -31.154 1.00 0.00 C ATOM 885 C SER A 58 -25.364 9.722 -30.355 1.00 0.00 C ATOM 886 O SER A 58 -25.900 10.693 -29.821 1.00 0.00 O ATOM 887 CB SER A 58 -24.401 10.155 -32.623 1.00 0.00 C ATOM 888 OG SER A 58 -25.028 9.035 -33.224 1.00 0.00 O ATOM 0 H SER A 58 -23.361 8.013 -31.788 1.00 0.00 H new ATOM 0 HA SER A 58 -23.517 10.725 -30.749 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.054 11.024 -32.697 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.486 10.397 -33.163 1.00 0.00 H new ATOM 0 HG SER A 58 -25.228 9.236 -34.162 1.00 0.00 H new ATOM 894 N ARG A 59 -25.857 8.490 -30.277 1.00 0.00 N ATOM 895 CA ARG A 59 -27.084 8.202 -29.545 1.00 0.00 C ATOM 896 C ARG A 59 -26.935 8.565 -28.070 1.00 0.00 C ATOM 897 O ARG A 59 -25.861 8.974 -27.627 1.00 0.00 O ATOM 898 CB ARG A 59 -27.452 6.724 -29.683 1.00 0.00 C ATOM 899 CG ARG A 59 -28.559 6.463 -30.691 1.00 0.00 C ATOM 900 CD ARG A 59 -28.000 5.993 -32.025 1.00 0.00 C ATOM 901 NE ARG A 59 -29.052 5.545 -32.932 1.00 0.00 N ATOM 902 CZ ARG A 59 -29.848 6.372 -33.600 1.00 0.00 C ATOM 903 NH1 ARG A 59 -29.712 7.684 -33.463 1.00 0.00 N ATOM 904 NH2 ARG A 59 -30.783 5.888 -34.408 1.00 0.00 N ATOM 0 H ARG A 59 -25.425 7.675 -30.712 1.00 0.00 H new ATOM 0 HA ARG A 59 -27.882 8.809 -29.972 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.565 6.163 -29.977 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.761 6.343 -28.710 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.242 5.711 -30.296 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -29.139 7.374 -30.839 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -27.442 6.805 -32.490 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -27.296 5.178 -31.856 1.00 0.00 H new ATOM 0 HE ARG A 59 -29.183 4.542 -33.060 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -28.995 8.060 -32.843 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -30.325 8.317 -33.977 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -30.891 4.880 -34.517 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -31.394 6.524 -34.920 1.00 0.00 H new ATOM 918 N ILE A 60 -28.018 8.413 -27.316 1.00 0.00 N ATOM 919 CA ILE A 60 -28.007 8.723 -25.892 1.00 0.00 C ATOM 920 C ILE A 60 -28.228 7.468 -25.054 1.00 0.00 C ATOM 921 O ILE A 60 -27.629 7.305 -23.992 1.00 0.00 O ATOM 922 CB ILE A 60 -29.086 9.762 -25.534 1.00 0.00 C ATOM 923 CG1 ILE A 60 -28.914 11.023 -26.384 1.00 0.00 C ATOM 924 CG2 ILE A 60 -29.023 10.102 -24.053 1.00 0.00 C ATOM 925 CD1 ILE A 60 -27.606 11.742 -26.139 1.00 0.00 C ATOM 0 H ILE A 60 -28.915 8.077 -27.668 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.025 9.139 -25.667 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.066 9.334 -25.747 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -28.979 10.753 -27.438 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -29.739 11.705 -26.178 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -29.792 10.837 -23.816 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.190 9.200 -23.465 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -28.042 10.513 -23.815 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -27.552 12.626 -26.775 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.547 12.043 -25.093 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -26.775 11.076 -26.372 1.00 0.00 H new ATOM 937 N GLY A 61 -29.091 6.582 -25.541 1.00 0.00 N ATOM 938 CA GLY A 61 -29.374 5.351 -24.826 1.00 0.00 C ATOM 939 C GLY A 61 -28.158 4.453 -24.713 1.00 0.00 C ATOM 940 O GLY A 61 -28.066 3.632 -23.800 1.00 0.00 O ATOM 0 H GLY A 61 -29.599 6.695 -26.418 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.739 5.590 -23.827 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.173 4.813 -25.337 1.00 0.00 H new ATOM 944 N HIS A 62 -27.222 4.607 -25.645 1.00 0.00 N ATOM 945 CA HIS A 62 -26.006 3.802 -25.647 1.00 0.00 C ATOM 946 C HIS A 62 -24.931 4.440 -24.773 1.00 0.00 C ATOM 947 O HIS A 62 -24.208 3.746 -24.058 1.00 0.00 O ATOM 948 CB HIS A 62 -25.484 3.632 -27.074 1.00 0.00 C ATOM 949 CG HIS A 62 -26.532 3.181 -28.045 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.553 3.575 -29.367 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.598 2.364 -27.881 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.588 3.020 -29.973 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.238 2.280 -29.093 1.00 0.00 N ATOM 0 H HIS A 62 -27.283 5.281 -26.408 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.248 2.821 -25.237 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.068 4.580 -27.415 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.668 2.909 -27.070 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.891 1.870 -26.967 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -27.857 3.149 -31.011 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -29.079 1.735 -29.283 1.00 0.00 H new ATOM 961 N GLN A 63 -24.832 5.764 -24.836 1.00 0.00 N ATOM 962 CA GLN A 63 -23.844 6.494 -24.051 1.00 0.00 C ATOM 963 C GLN A 63 -23.988 6.179 -22.565 1.00 0.00 C ATOM 964 O GLN A 63 -22.997 6.087 -21.842 1.00 0.00 O ATOM 965 CB GLN A 63 -23.989 7.999 -24.282 1.00 0.00 C ATOM 966 CG GLN A 63 -23.386 8.474 -25.594 1.00 0.00 C ATOM 967 CD GLN A 63 -23.128 9.968 -25.611 1.00 0.00 C ATOM 968 OE1 GLN A 63 -22.294 10.474 -24.861 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.846 10.682 -26.470 1.00 0.00 N ATOM 0 H GLN A 63 -25.424 6.353 -25.422 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.853 6.178 -24.376 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.047 8.261 -24.262 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.513 8.532 -23.459 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.449 7.945 -25.771 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -24.058 8.216 -26.413 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.527 10.220 -27.073 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.717 11.692 -26.527 1.00 0.00 H new ATOM 978 N GLU A 64 -25.229 6.016 -22.118 1.00 0.00 N ATOM 979 CA GLU A 64 -25.503 5.713 -20.718 1.00 0.00 C ATOM 980 C GLU A 64 -25.299 4.227 -20.433 1.00 0.00 C ATOM 981 O GLU A 64 -24.987 3.837 -19.308 1.00 0.00 O ATOM 982 CB GLU A 64 -26.931 6.122 -20.354 1.00 0.00 C ATOM 983 CG GLU A 64 -27.063 7.581 -19.953 1.00 0.00 C ATOM 984 CD GLU A 64 -26.923 7.791 -18.458 1.00 0.00 C ATOM 985 OE1 GLU A 64 -27.743 7.232 -17.700 1.00 0.00 O ATOM 986 OE2 GLU A 64 -25.992 8.513 -18.045 1.00 0.00 O ATOM 0 H GLU A 64 -26.060 6.089 -22.705 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.803 6.282 -20.106 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.584 5.927 -21.205 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.281 5.495 -19.534 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.303 8.166 -20.471 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -28.032 7.957 -20.280 1.00 0.00 H new ATOM 993 N LEU A 65 -25.478 3.404 -21.461 1.00 0.00 N ATOM 994 CA LEU A 65 -25.315 1.961 -21.322 1.00 0.00 C ATOM 995 C LEU A 65 -23.897 1.614 -20.880 1.00 0.00 C ATOM 996 O LEU A 65 -23.700 0.784 -19.991 1.00 0.00 O ATOM 997 CB LEU A 65 -25.634 1.263 -22.645 1.00 0.00 C ATOM 998 CG LEU A 65 -27.011 0.605 -22.741 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.297 0.172 -24.171 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.102 -0.583 -21.794 1.00 0.00 C ATOM 0 H LEU A 65 -25.736 3.711 -22.399 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.010 1.613 -20.558 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.546 1.994 -23.449 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.876 0.500 -22.823 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.763 1.337 -22.447 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.281 -0.294 -24.220 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.275 1.043 -24.826 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.540 -0.543 -24.493 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -28.089 -1.039 -21.876 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.340 -1.317 -22.057 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -26.942 -0.245 -20.770 1.00 0.00 H new ATOM 1012 N ILE A 66 -22.915 2.254 -21.504 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.516 2.015 -21.172 1.00 0.00 C ATOM 1014 C ILE A 66 -21.167 2.599 -19.807 1.00 0.00 C ATOM 1015 O ILE A 66 -20.565 1.928 -18.968 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.574 2.618 -22.231 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -20.957 2.120 -23.627 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.128 2.267 -21.916 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.185 2.793 -24.741 1.00 0.00 C ATOM 0 H ILE A 66 -23.062 2.942 -22.242 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.378 0.934 -21.149 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.676 3.703 -22.211 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.790 1.044 -23.679 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.023 2.285 -23.783 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.475 2.700 -22.674 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -18.862 2.665 -20.937 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.009 1.183 -21.912 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.508 2.391 -25.702 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.371 3.867 -24.716 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.119 2.606 -24.609 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.550 3.852 -19.591 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.280 4.528 -18.326 1.00 0.00 C ATOM 1033 C LEU A 67 -21.892 3.762 -17.158 1.00 0.00 C ATOM 1034 O LEU A 67 -21.228 3.508 -16.154 1.00 0.00 O ATOM 1035 CB LEU A 67 -21.830 5.955 -18.360 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.311 6.848 -19.487 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.288 7.980 -19.764 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -19.936 7.399 -19.141 1.00 0.00 C ATOM 0 H LEU A 67 -22.049 4.421 -20.275 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.200 4.565 -18.185 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.916 5.903 -18.436 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.600 6.434 -17.409 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.221 6.245 -20.390 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.902 8.605 -20.569 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.252 7.565 -20.058 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.411 8.583 -18.864 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.583 8.032 -19.955 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.999 7.987 -18.225 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.239 6.573 -18.995 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.162 3.395 -17.298 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.863 2.657 -16.254 1.00 0.00 C ATOM 1052 C GLU A 68 -23.070 1.423 -15.834 1.00 0.00 C ATOM 1053 O GLU A 68 -23.144 0.986 -14.686 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.254 2.242 -16.738 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.066 1.497 -15.692 1.00 0.00 C ATOM 1056 CD GLU A 68 -26.070 -0.003 -15.915 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -26.314 -0.430 -17.063 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -25.830 -0.749 -14.943 1.00 0.00 O ATOM 0 H GLU A 68 -23.726 3.597 -18.124 1.00 0.00 H new ATOM 0 HA GLU A 68 -23.967 3.312 -15.389 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.803 3.132 -17.045 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.149 1.611 -17.621 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -25.662 1.712 -14.703 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -27.092 1.865 -15.704 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.312 0.866 -16.773 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.504 -0.316 -16.501 1.00 0.00 C ATOM 1067 C ALA A 69 -20.183 0.063 -15.839 1.00 0.00 C ATOM 1068 O ALA A 69 -19.687 -0.652 -14.968 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.249 -1.088 -17.787 1.00 0.00 C ATOM 0 H ALA A 69 -22.241 1.215 -17.729 1.00 0.00 H new ATOM 0 HA ALA A 69 -22.057 -0.953 -15.811 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.644 -1.968 -17.569 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.200 -1.399 -18.219 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.720 -0.451 -18.495 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.619 1.191 -16.257 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.355 1.664 -15.703 1.00 0.00 C ATOM 1077 C VAL A 70 -18.463 1.884 -14.198 1.00 0.00 C ATOM 1078 O VAL A 70 -17.504 1.660 -13.458 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.907 2.978 -16.372 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.605 3.471 -15.760 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.762 2.788 -17.874 1.00 0.00 C ATOM 0 H VAL A 70 -20.016 1.794 -16.977 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.612 0.891 -15.902 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.672 3.734 -16.197 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.304 4.400 -16.245 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.748 3.648 -14.694 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.829 2.719 -15.902 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.445 3.726 -18.330 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.017 2.018 -18.073 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.720 2.484 -18.296 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.635 2.321 -13.752 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.869 2.569 -12.334 1.00 0.00 C ATOM 1093 C ASP A 71 -19.606 1.311 -11.512 1.00 0.00 C ATOM 1094 O ASP A 71 -19.249 1.389 -10.336 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.303 3.051 -12.109 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.414 4.011 -10.940 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.833 5.113 -11.021 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -22.081 3.659 -9.944 1.00 0.00 O ATOM 0 H ASP A 71 -20.438 2.511 -14.352 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.178 3.346 -12.007 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.665 3.541 -13.013 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.949 2.191 -11.932 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.787 0.154 -12.138 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.571 -1.122 -11.464 1.00 0.00 C ATOM 1105 C LEU A 72 -18.093 -1.498 -11.471 1.00 0.00 C ATOM 1106 O LEU A 72 -17.611 -2.183 -10.568 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.392 -2.223 -12.138 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.894 -2.210 -11.851 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -22.676 -2.647 -13.081 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -22.218 -3.107 -10.665 1.00 0.00 C ATOM 0 H LEU A 72 -20.083 0.072 -13.111 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.896 -1.017 -10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.247 -2.148 -13.216 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.991 -3.188 -11.829 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.188 -1.191 -11.601 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.743 -2.632 -12.858 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -22.468 -1.965 -13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.378 -3.657 -13.361 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.291 -3.086 -10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -21.909 -4.129 -10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -21.686 -2.750 -9.783 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.377 -1.044 -12.494 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.952 -1.331 -12.618 1.00 0.00 C ATOM 1124 C LEU A 73 -15.165 -0.677 -11.487 1.00 0.00 C ATOM 1125 O LEU A 73 -14.218 -1.261 -10.958 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.429 -0.841 -13.969 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.356 -1.889 -15.081 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.958 -1.242 -16.398 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -14.377 -2.993 -14.710 1.00 0.00 C ATOM 0 H LEU A 73 -17.760 -0.476 -13.250 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.816 -2.411 -12.553 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.066 -0.024 -14.308 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.432 -0.427 -13.821 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.344 -2.333 -15.201 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.911 -2.002 -17.177 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.696 -0.488 -16.671 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.981 -0.771 -16.291 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.338 -3.730 -15.513 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.385 -2.565 -14.562 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.705 -3.476 -13.790 1.00 0.00 H new ATOM 1141 N CYS A 74 -15.563 0.536 -11.121 1.00 0.00 N ATOM 1142 CA CYS A 74 -14.895 1.270 -10.051 1.00 0.00 C ATOM 1143 C CYS A 74 -15.395 0.813 -8.684 1.00 0.00 C ATOM 1144 O CYS A 74 -14.614 0.660 -7.746 1.00 0.00 O ATOM 1145 CB CYS A 74 -15.125 2.773 -10.215 1.00 0.00 C ATOM 1146 SG CYS A 74 -13.653 3.693 -10.721 1.00 0.00 S ATOM 0 H CYS A 74 -16.345 1.032 -11.549 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.827 1.064 -10.114 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -15.911 2.931 -10.953 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -15.488 3.179 -9.271 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.947 4.954 -10.835 1.00 0.00 H new ATOM 1152 N ALA A 75 -16.702 0.598 -8.580 1.00 0.00 N ATOM 1153 CA ALA A 75 -17.306 0.158 -7.328 1.00 0.00 C ATOM 1154 C ALA A 75 -16.742 -1.189 -6.889 1.00 0.00 C ATOM 1155 O ALA A 75 -16.698 -1.497 -5.698 1.00 0.00 O ATOM 1156 CB ALA A 75 -18.819 0.077 -7.472 1.00 0.00 C ATOM 0 H ALA A 75 -17.363 0.721 -9.347 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.063 0.892 -6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.257 -0.253 -6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.213 1.060 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -19.072 -0.634 -8.258 1.00 0.00 H new ATOM 1162 N LEU A 76 -16.311 -1.988 -7.859 1.00 0.00 N ATOM 1163 CA LEU A 76 -15.749 -3.304 -7.573 1.00 0.00 C ATOM 1164 C LEU A 76 -14.327 -3.183 -7.034 1.00 0.00 C ATOM 1165 O LEU A 76 -13.881 -4.012 -6.242 1.00 0.00 O ATOM 1166 CB LEU A 76 -15.757 -4.169 -8.834 1.00 0.00 C ATOM 1167 CG LEU A 76 -17.075 -4.875 -9.155 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -16.992 -5.574 -10.503 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -17.430 -5.868 -8.059 1.00 0.00 C ATOM 0 H LEU A 76 -16.340 -1.748 -8.850 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.368 -3.778 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.488 -3.541 -9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -14.977 -4.925 -8.737 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.863 -4.124 -9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -17.939 -6.071 -10.714 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -16.786 -4.840 -11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -16.192 -6.313 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -18.371 -6.360 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -16.641 -6.615 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -17.533 -5.341 -7.110 1.00 0.00 H new ATOM 1181 N ASN A 77 -13.621 -2.144 -7.469 1.00 0.00 N ATOM 1182 CA ASN A 77 -12.250 -1.914 -7.029 1.00 0.00 C ATOM 1183 C ASN A 77 -12.190 -0.786 -6.003 1.00 0.00 C ATOM 1184 O ASN A 77 -11.541 0.236 -6.226 1.00 0.00 O ATOM 1185 CB ASN A 77 -11.358 -1.578 -8.226 1.00 0.00 C ATOM 1186 CG ASN A 77 -10.870 -2.818 -8.950 1.00 0.00 C ATOM 1187 OD1 ASN A 77 -9.887 -3.439 -8.546 1.00 0.00 O ATOM 1188 ND2 ASN A 77 -11.557 -3.183 -10.026 1.00 0.00 N ATOM 0 H ASN A 77 -13.976 -1.449 -8.125 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.887 -2.828 -6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.911 -0.948 -8.923 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.500 -0.999 -7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.276 -4.009 -10.555 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.366 -2.638 -10.324 1.00 0.00 H new ATOM 1195 N SER A 78 -12.871 -0.980 -4.878 1.00 0.00 N ATOM 1196 CA SER A 78 -12.898 0.022 -3.819 1.00 0.00 C ATOM 1197 C SER A 78 -13.318 -0.603 -2.492 1.00 0.00 C ATOM 1198 O SER A 78 -12.559 -0.599 -1.524 1.00 0.00 O ATOM 1199 CB SER A 78 -13.855 1.158 -4.186 1.00 0.00 C ATOM 1200 OG SER A 78 -15.144 0.658 -4.499 1.00 0.00 O ATOM 0 H SER A 78 -13.411 -1.821 -4.677 1.00 0.00 H new ATOM 0 HA SER A 78 -11.892 0.426 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.926 1.861 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.459 1.710 -5.038 1.00 0.00 H new ATOM 0 HG SER A 78 -15.222 0.537 -5.468 1.00 0.00 H new ATOM 1206 N GLY A 79 -14.534 -1.139 -2.455 1.00 0.00 N ATOM 1207 CA GLY A 79 -15.035 -1.760 -1.243 1.00 0.00 C ATOM 1208 C GLY A 79 -16.471 -1.375 -0.945 1.00 0.00 C ATOM 1209 O GLY A 79 -17.067 -0.543 -1.629 1.00 0.00 O ATOM 0 H GLY A 79 -15.181 -1.154 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.965 -2.844 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.403 -1.472 -0.403 1.00 0.00 H new ATOM 1213 N PRO A 80 -17.048 -1.990 0.098 1.00 0.00 N ATOM 1214 CA PRO A 80 -18.430 -1.723 0.508 1.00 0.00 C ATOM 1215 C PRO A 80 -18.599 -0.332 1.109 1.00 0.00 C ATOM 1216 O PRO A 80 -17.921 0.024 2.073 1.00 0.00 O ATOM 1217 CB PRO A 80 -18.701 -2.799 1.563 1.00 0.00 C ATOM 1218 CG PRO A 80 -17.356 -3.145 2.104 1.00 0.00 C ATOM 1219 CD PRO A 80 -16.396 -2.992 0.957 1.00 0.00 C ATOM 0 HA PRO A 80 -19.118 -1.752 -0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -19.360 -2.427 2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -19.188 -3.670 1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.086 -2.486 2.929 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -17.342 -4.164 2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.416 -2.655 1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -16.245 -3.935 0.431 1.00 0.00 H new ATOM 1227 N SER A 81 -19.507 0.450 0.535 1.00 0.00 N ATOM 1228 CA SER A 81 -19.762 1.804 1.012 1.00 0.00 C ATOM 1229 C SER A 81 -20.952 1.828 1.966 1.00 0.00 C ATOM 1230 O SER A 81 -22.052 1.402 1.615 1.00 0.00 O ATOM 1231 CB SER A 81 -20.020 2.743 -0.167 1.00 0.00 C ATOM 1232 OG SER A 81 -20.098 2.023 -1.385 1.00 0.00 O ATOM 0 H SER A 81 -20.079 0.169 -0.262 1.00 0.00 H new ATOM 0 HA SER A 81 -18.879 2.145 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 81 -20.949 3.290 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 81 -19.222 3.482 -0.229 1.00 0.00 H new ATOM 0 HG SER A 81 -20.265 2.646 -2.123 1.00 0.00 H new ATOM 1238 N SER A 82 -20.723 2.330 3.176 1.00 0.00 N ATOM 1239 CA SER A 82 -21.775 2.407 4.183 1.00 0.00 C ATOM 1240 C SER A 82 -22.025 3.854 4.597 1.00 0.00 C ATOM 1241 O SER A 82 -21.103 4.568 4.986 1.00 0.00 O ATOM 1242 CB SER A 82 -21.399 1.571 5.408 1.00 0.00 C ATOM 1243 OG SER A 82 -20.271 2.116 6.070 1.00 0.00 O ATOM 0 H SER A 82 -19.819 2.689 3.482 1.00 0.00 H new ATOM 0 HA SER A 82 -22.691 2.009 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 82 -22.243 1.528 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.185 0.547 5.102 1.00 0.00 H new ATOM 0 HG SER A 82 -20.207 3.074 5.872 1.00 0.00 H new ATOM 1249 N GLY A 83 -23.283 4.278 4.511 1.00 0.00 N ATOM 1250 CA GLY A 83 -23.633 5.637 4.880 1.00 0.00 C ATOM 1251 C GLY A 83 -25.113 5.920 4.712 1.00 0.00 C ATOM 1252 O GLY A 83 -25.896 5.015 4.424 1.00 0.00 O ATOM 0 H GLY A 83 -24.065 3.705 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -23.348 5.814 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -23.061 6.335 4.269 1.00 0.00 H new TER 1256 GLY A 83