USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 862 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 -122:sc= 0.638 USER MOD Set 1.2: A 98 TYR OH : rot 150:sc= 0.67 USER MOD Set 2.1: A 75 ASN : amide:sc= -0.565 K(o=-0.92,f=1.8) USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= -0.356 USER MOD Set 3.1: A 59 GLN : amide:sc= -2.01 K(o=-2,f=-3.9!) USER MOD Set 3.2: A 61 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0855 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.731 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 28:sc= 1.29 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc=-0.00109 (180deg=-0.0926) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -106:sc= 1.19 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 32:sc= 0.041 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -2.45! C(o=-2.5!,f=-11!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 157:sc= -2.31 (180deg=-3.62) USER MOD Single : A 73 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.026) USER MOD Single : A 76 LYS NZ :NH3+ 143:sc= -0.361 (180deg=-1.32!) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 84 TYR OH : rot 165:sc= -0.304 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 33:sc= 0.00546 USER MOD Single : A 92 TYR OH : rot 171:sc= 0.857 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 106 SER OG : rot -68:sc= 0.00258 USER MOD Single : A 108 TYR OH : rot 180:sc=-0.00879 USER MOD Single : A 113 THR OG1 : rot 39:sc= 1.04 USER MOD Single : A 114 GLN : amide:sc= -5.13! C(o=-5.1!,f=-6.5!) USER MOD Single : A 115 THR OG1 : rot 50:sc= 0.0918 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.870 2.175 -21.037 1.00 0.00 N ATOM 2 CA GLY A 1 -20.805 1.222 -21.289 1.00 0.00 C ATOM 3 C GLY A 1 -21.257 -0.214 -21.109 1.00 0.00 C ATOM 4 O GLY A 1 -22.451 -0.485 -20.986 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.927 2.849 -21.827 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.774 1.669 -20.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.673 2.691 -20.156 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.433 1.358 -22.304 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.973 1.425 -20.615 1.00 0.00 H new ATOM 8 N SER A 2 -20.300 -1.137 -21.096 1.00 0.00 N ATOM 9 CA SER A 2 -20.607 -2.553 -20.935 1.00 0.00 C ATOM 10 C SER A 2 -19.364 -3.334 -20.519 1.00 0.00 C ATOM 11 O SER A 2 -18.243 -2.835 -20.613 1.00 0.00 O ATOM 12 CB SER A 2 -21.171 -3.125 -22.237 1.00 0.00 C ATOM 13 OG SER A 2 -22.582 -3.002 -22.280 1.00 0.00 O ATOM 0 H SER A 2 -19.306 -0.929 -21.195 1.00 0.00 H new ATOM 0 HA SER A 2 -21.356 -2.651 -20.149 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.731 -2.603 -23.087 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.892 -4.175 -22.328 1.00 0.00 H new ATOM 0 HG SER A 2 -22.850 -2.162 -21.852 1.00 0.00 H new ATOM 19 N SER A 3 -19.572 -4.564 -20.059 1.00 0.00 N ATOM 20 CA SER A 3 -18.470 -5.414 -19.625 1.00 0.00 C ATOM 21 C SER A 3 -18.954 -6.836 -19.357 1.00 0.00 C ATOM 22 O SER A 3 -20.143 -7.132 -19.472 1.00 0.00 O ATOM 23 CB SER A 3 -17.820 -4.839 -18.365 1.00 0.00 C ATOM 24 OG SER A 3 -18.580 -5.152 -17.211 1.00 0.00 O ATOM 0 H SER A 3 -20.493 -4.994 -19.977 1.00 0.00 H new ATOM 0 HA SER A 3 -17.731 -5.445 -20.425 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.811 -5.237 -18.259 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.728 -3.757 -18.461 1.00 0.00 H new ATOM 0 HG SER A 3 -18.143 -4.775 -16.419 1.00 0.00 H new ATOM 30 N GLY A 4 -18.022 -7.715 -18.999 1.00 0.00 N ATOM 31 CA GLY A 4 -18.371 -9.095 -18.721 1.00 0.00 C ATOM 32 C GLY A 4 -17.463 -9.725 -17.683 1.00 0.00 C ATOM 33 O GLY A 4 -16.483 -9.116 -17.255 1.00 0.00 O ATOM 0 H GLY A 4 -17.031 -7.495 -18.897 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.403 -9.143 -18.373 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.319 -9.673 -19.644 1.00 0.00 H new ATOM 37 N SER A 5 -17.791 -10.947 -17.276 1.00 0.00 N ATOM 38 CA SER A 5 -17.001 -11.658 -16.278 1.00 0.00 C ATOM 39 C SER A 5 -17.163 -13.167 -16.430 1.00 0.00 C ATOM 40 O SER A 5 -18.022 -13.638 -17.175 1.00 0.00 O ATOM 41 CB SER A 5 -17.415 -11.229 -14.869 1.00 0.00 C ATOM 42 OG SER A 5 -16.353 -11.408 -13.948 1.00 0.00 O ATOM 0 H SER A 5 -18.598 -11.465 -17.622 1.00 0.00 H new ATOM 0 HA SER A 5 -15.952 -11.405 -16.434 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.719 -10.182 -14.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.280 -11.809 -14.548 1.00 0.00 H new ATOM 0 HG SER A 5 -16.643 -11.125 -13.056 1.00 0.00 H new ATOM 48 N SER A 6 -16.330 -13.920 -15.719 1.00 0.00 N ATOM 49 CA SER A 6 -16.377 -15.377 -15.778 1.00 0.00 C ATOM 50 C SER A 6 -16.381 -15.977 -14.375 1.00 0.00 C ATOM 51 O SER A 6 -15.982 -15.328 -13.409 1.00 0.00 O ATOM 52 CB SER A 6 -15.185 -15.915 -16.571 1.00 0.00 C ATOM 53 OG SER A 6 -15.409 -17.253 -16.983 1.00 0.00 O ATOM 0 H SER A 6 -15.615 -13.546 -15.096 1.00 0.00 H new ATOM 0 HA SER A 6 -17.300 -15.666 -16.281 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.012 -15.286 -17.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.285 -15.865 -15.959 1.00 0.00 H new ATOM 0 HG SER A 6 -14.634 -17.574 -17.489 1.00 0.00 H new ATOM 59 N GLY A 7 -16.836 -17.222 -14.272 1.00 0.00 N ATOM 60 CA GLY A 7 -16.885 -17.890 -12.984 1.00 0.00 C ATOM 61 C GLY A 7 -17.162 -19.375 -13.112 1.00 0.00 C ATOM 62 O GLY A 7 -18.315 -19.791 -13.222 1.00 0.00 O ATOM 0 H GLY A 7 -17.172 -17.780 -15.057 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.937 -17.744 -12.466 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.659 -17.431 -12.369 1.00 0.00 H new ATOM 66 N ARG A 8 -16.102 -20.176 -13.098 1.00 0.00 N ATOM 67 CA ARG A 8 -16.236 -21.623 -13.216 1.00 0.00 C ATOM 68 C ARG A 8 -15.370 -22.336 -12.181 1.00 0.00 C ATOM 69 O ARG A 8 -14.219 -21.962 -11.957 1.00 0.00 O ATOM 70 CB ARG A 8 -15.849 -22.080 -14.623 1.00 0.00 C ATOM 71 CG ARG A 8 -16.752 -21.526 -15.714 1.00 0.00 C ATOM 72 CD ARG A 8 -16.001 -21.357 -17.025 1.00 0.00 C ATOM 73 NE ARG A 8 -16.898 -21.393 -18.177 1.00 0.00 N ATOM 74 CZ ARG A 8 -16.524 -21.071 -19.411 1.00 0.00 C ATOM 75 NH1 ARG A 8 -15.277 -20.691 -19.650 1.00 0.00 N ATOM 76 NH2 ARG A 8 -17.398 -21.129 -20.407 1.00 0.00 N ATOM 0 H ARG A 8 -15.141 -19.848 -13.006 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.279 -21.882 -13.032 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -14.822 -21.777 -14.825 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -15.873 -23.169 -14.662 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.599 -22.196 -15.862 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.158 -20.565 -15.399 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.462 -20.410 -17.015 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.256 -22.147 -17.121 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.865 -21.681 -18.026 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.603 -20.645 -18.886 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.992 -20.444 -20.598 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -18.358 -21.421 -20.226 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.110 -20.882 -21.354 1.00 0.00 H new ATOM 90 N SER A 9 -15.932 -23.364 -11.554 1.00 0.00 N ATOM 91 CA SER A 9 -15.212 -24.126 -10.540 1.00 0.00 C ATOM 92 C SER A 9 -16.014 -25.352 -10.111 1.00 0.00 C ATOM 93 O SER A 9 -17.241 -25.321 -10.017 1.00 0.00 O ATOM 94 CB SER A 9 -14.916 -23.246 -9.324 1.00 0.00 C ATOM 95 OG SER A 9 -13.688 -22.556 -9.482 1.00 0.00 O ATOM 0 H SER A 9 -16.883 -23.688 -11.730 1.00 0.00 H new ATOM 0 HA SER A 9 -14.270 -24.462 -10.974 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.725 -22.529 -9.185 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.878 -23.862 -8.426 1.00 0.00 H new ATOM 0 HG SER A 9 -13.513 -22.415 -10.436 1.00 0.00 H new ATOM 101 N PRO A 10 -15.304 -26.458 -9.845 1.00 0.00 N ATOM 102 CA PRO A 10 -15.927 -27.716 -9.422 1.00 0.00 C ATOM 103 C PRO A 10 -16.506 -27.630 -8.014 1.00 0.00 C ATOM 104 O PRO A 10 -16.662 -26.541 -7.461 1.00 0.00 O ATOM 105 CB PRO A 10 -14.771 -28.717 -9.464 1.00 0.00 C ATOM 106 CG PRO A 10 -13.546 -27.889 -9.282 1.00 0.00 C ATOM 107 CD PRO A 10 -13.838 -26.567 -9.937 1.00 0.00 C ATOM 0 HA PRO A 10 -16.768 -27.989 -10.060 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.865 -29.464 -8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.748 -29.255 -10.411 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.317 -27.758 -8.224 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.680 -28.368 -9.739 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.341 -25.745 -9.422 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.498 -26.547 -10.972 1.00 0.00 H new ATOM 115 N PHE A 11 -16.823 -28.785 -7.438 1.00 0.00 N ATOM 116 CA PHE A 11 -17.386 -28.841 -6.094 1.00 0.00 C ATOM 117 C PHE A 11 -16.606 -29.817 -5.218 1.00 0.00 C ATOM 118 O PHE A 11 -16.929 -31.004 -5.152 1.00 0.00 O ATOM 119 CB PHE A 11 -18.858 -29.252 -6.150 1.00 0.00 C ATOM 120 CG PHE A 11 -19.079 -30.606 -6.763 1.00 0.00 C ATOM 121 CD1 PHE A 11 -19.036 -30.774 -8.138 1.00 0.00 C ATOM 122 CD2 PHE A 11 -19.331 -31.709 -5.964 1.00 0.00 C ATOM 123 CE1 PHE A 11 -19.238 -32.018 -8.704 1.00 0.00 C ATOM 124 CE2 PHE A 11 -19.534 -32.956 -6.525 1.00 0.00 C ATOM 125 CZ PHE A 11 -19.489 -33.110 -7.897 1.00 0.00 C ATOM 0 H PHE A 11 -16.699 -29.695 -7.881 1.00 0.00 H new ATOM 0 HA PHE A 11 -17.311 -27.846 -5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.267 -29.248 -5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.413 -28.508 -6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -18.842 -29.923 -8.774 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -19.369 -31.594 -4.891 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -19.200 -32.136 -9.777 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.728 -33.809 -5.891 1.00 0.00 H new ATOM 0 HZ PHE A 11 -19.650 -34.083 -8.338 1.00 0.00 H new ATOM 135 N LYS A 12 -15.578 -29.310 -4.547 1.00 0.00 N ATOM 136 CA LYS A 12 -14.751 -30.135 -3.674 1.00 0.00 C ATOM 137 C LYS A 12 -14.411 -29.393 -2.386 1.00 0.00 C ATOM 138 O LYS A 12 -14.699 -28.204 -2.248 1.00 0.00 O ATOM 139 CB LYS A 12 -13.464 -30.545 -4.394 1.00 0.00 C ATOM 140 CG LYS A 12 -13.682 -31.572 -5.492 1.00 0.00 C ATOM 141 CD LYS A 12 -14.002 -30.908 -6.821 1.00 0.00 C ATOM 142 CE LYS A 12 -13.658 -31.813 -7.993 1.00 0.00 C ATOM 143 NZ LYS A 12 -14.805 -32.683 -8.378 1.00 0.00 N ATOM 0 H LYS A 12 -15.297 -28.330 -4.591 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.318 -31.030 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.000 -29.658 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.762 -30.949 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.789 -32.188 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.498 -32.238 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.061 -30.653 -6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.446 -29.974 -6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.361 -31.204 -8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.802 -32.435 -7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.530 -33.285 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.072 -33.282 -7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.614 -32.090 -8.651 1.00 0.00 H new ATOM 157 N VAL A 13 -13.796 -30.102 -1.444 1.00 0.00 N ATOM 158 CA VAL A 13 -13.414 -29.509 -0.168 1.00 0.00 C ATOM 159 C VAL A 13 -12.532 -28.283 -0.373 1.00 0.00 C ATOM 160 O VAL A 13 -11.777 -28.202 -1.343 1.00 0.00 O ATOM 161 CB VAL A 13 -12.668 -30.522 0.720 1.00 0.00 C ATOM 162 CG1 VAL A 13 -11.331 -30.896 0.097 1.00 0.00 C ATOM 163 CG2 VAL A 13 -12.474 -29.961 2.121 1.00 0.00 C ATOM 0 H VAL A 13 -13.552 -31.088 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.336 -29.210 0.330 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.272 -31.426 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.818 -31.613 0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.498 -31.342 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.717 -30.002 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.945 -30.690 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.891 -29.041 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.446 -29.749 2.566 1.00 0.00 H new ATOM 173 N LYS A 14 -12.631 -27.329 0.546 1.00 0.00 N ATOM 174 CA LYS A 14 -11.841 -26.106 0.469 1.00 0.00 C ATOM 175 C LYS A 14 -10.836 -26.034 1.614 1.00 0.00 C ATOM 176 O LYS A 14 -11.215 -25.920 2.779 1.00 0.00 O ATOM 177 CB LYS A 14 -12.757 -24.880 0.502 1.00 0.00 C ATOM 178 CG LYS A 14 -13.384 -24.553 -0.842 1.00 0.00 C ATOM 179 CD LYS A 14 -14.690 -25.303 -1.045 1.00 0.00 C ATOM 180 CE LYS A 14 -15.839 -24.631 -0.310 1.00 0.00 C ATOM 181 NZ LYS A 14 -16.271 -23.375 -0.984 1.00 0.00 N ATOM 0 H LYS A 14 -13.251 -27.379 1.354 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.292 -26.117 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.549 -25.048 1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.185 -24.018 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.565 -23.480 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.688 -24.809 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.919 -25.356 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.581 -26.328 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.682 -25.319 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.535 -24.408 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.183 -23.066 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.558 -22.634 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.375 -23.547 -2.004 1.00 0.00 H new ATOM 195 N VAL A 15 -9.553 -26.101 1.274 1.00 0.00 N ATOM 196 CA VAL A 15 -8.493 -26.040 2.273 1.00 0.00 C ATOM 197 C VAL A 15 -7.876 -24.648 2.337 1.00 0.00 C ATOM 198 O VAL A 15 -8.111 -23.812 1.463 1.00 0.00 O ATOM 199 CB VAL A 15 -7.384 -27.068 1.978 1.00 0.00 C ATOM 200 CG1 VAL A 15 -7.956 -28.477 1.949 1.00 0.00 C ATOM 201 CG2 VAL A 15 -6.689 -26.739 0.666 1.00 0.00 C ATOM 0 H VAL A 15 -9.222 -26.198 0.314 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.951 -26.275 3.234 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.644 -27.018 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.158 -29.189 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.404 -28.708 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.717 -28.545 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.909 -27.475 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.416 -26.760 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.244 -25.746 0.729 1.00 0.00 H new ATOM 211 N LEU A 16 -7.085 -24.404 3.376 1.00 0.00 N ATOM 212 CA LEU A 16 -6.432 -23.112 3.554 1.00 0.00 C ATOM 213 C LEU A 16 -5.721 -22.680 2.276 1.00 0.00 C ATOM 214 O LEU A 16 -5.158 -23.494 1.544 1.00 0.00 O ATOM 215 CB LEU A 16 -5.433 -23.178 4.710 1.00 0.00 C ATOM 216 CG LEU A 16 -5.976 -23.708 6.037 1.00 0.00 C ATOM 217 CD1 LEU A 16 -4.840 -24.208 6.917 1.00 0.00 C ATOM 218 CD2 LEU A 16 -6.774 -22.631 6.756 1.00 0.00 C ATOM 0 H LEU A 16 -6.880 -25.084 4.108 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.200 -22.374 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.597 -23.807 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.035 -22.177 4.877 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.641 -24.545 5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.245 -24.581 7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.310 -25.012 6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.149 -23.389 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.153 -23.027 7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.131 -21.773 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.611 -22.320 6.131 1.00 0.00 H new ATOM 230 N PRO A 17 -5.743 -21.367 2.000 1.00 0.00 N ATOM 231 CA PRO A 17 -5.103 -20.797 0.811 1.00 0.00 C ATOM 232 C PRO A 17 -3.581 -20.854 0.889 1.00 0.00 C ATOM 233 O PRO A 17 -3.002 -20.823 1.975 1.00 0.00 O ATOM 234 CB PRO A 17 -5.584 -19.344 0.812 1.00 0.00 C ATOM 235 CG PRO A 17 -5.896 -19.049 2.238 1.00 0.00 C ATOM 236 CD PRO A 17 -6.395 -20.339 2.828 1.00 0.00 C ATOM 0 HA PRO A 17 -5.362 -21.346 -0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.816 -18.673 0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.463 -19.218 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.011 -18.695 2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.650 -18.266 2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.119 -20.434 3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.481 -20.411 2.776 1.00 0.00 H new ATOM 244 N THR A 18 -2.937 -20.938 -0.271 1.00 0.00 N ATOM 245 CA THR A 18 -1.482 -21.001 -0.334 1.00 0.00 C ATOM 246 C THR A 18 -0.855 -19.687 0.117 1.00 0.00 C ATOM 247 O THR A 18 0.219 -19.675 0.720 1.00 0.00 O ATOM 248 CB THR A 18 -0.995 -21.326 -1.759 1.00 0.00 C ATOM 249 OG1 THR A 18 -1.659 -22.497 -2.248 1.00 0.00 O ATOM 250 CG2 THR A 18 0.510 -21.545 -1.780 1.00 0.00 C ATOM 0 H THR A 18 -3.400 -20.964 -1.179 1.00 0.00 H new ATOM 0 HA THR A 18 -1.171 -21.799 0.340 1.00 0.00 H new ATOM 0 HB THR A 18 -1.232 -20.479 -2.402 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.345 -22.696 -3.155 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.830 -21.773 -2.797 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.014 -20.642 -1.435 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.766 -22.377 -1.124 1.00 0.00 H new ATOM 258 N TYR A 19 -1.532 -18.582 -0.177 1.00 0.00 N ATOM 259 CA TYR A 19 -1.039 -17.262 0.197 1.00 0.00 C ATOM 260 C TYR A 19 -1.287 -16.988 1.677 1.00 0.00 C ATOM 261 O TYR A 19 -2.063 -17.687 2.328 1.00 0.00 O ATOM 262 CB TYR A 19 -1.714 -16.183 -0.652 1.00 0.00 C ATOM 263 CG TYR A 19 -3.153 -15.921 -0.267 1.00 0.00 C ATOM 264 CD1 TYR A 19 -4.179 -16.723 -0.753 1.00 0.00 C ATOM 265 CD2 TYR A 19 -3.486 -14.872 0.580 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.495 -16.487 -0.404 1.00 0.00 C ATOM 267 CE2 TYR A 19 -4.799 -14.630 0.935 1.00 0.00 C ATOM 268 CZ TYR A 19 -5.799 -15.440 0.440 1.00 0.00 C ATOM 269 OH TYR A 19 -7.109 -15.201 0.790 1.00 0.00 O ATOM 0 H TYR A 19 -2.423 -18.575 -0.673 1.00 0.00 H new ATOM 0 HA TYR A 19 0.036 -17.239 0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.148 -15.256 -0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.675 -16.480 -1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.944 -17.544 -1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.705 -14.235 0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.281 -17.119 -0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.041 -13.811 1.596 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.436 -14.409 0.313 1.00 0.00 H new ATOM 279 N ASP A 20 -0.621 -15.965 2.202 1.00 0.00 N ATOM 280 CA ASP A 20 -0.768 -15.596 3.605 1.00 0.00 C ATOM 281 C ASP A 20 -0.562 -14.096 3.797 1.00 0.00 C ATOM 282 O ASP A 20 0.450 -13.540 3.373 1.00 0.00 O ATOM 283 CB ASP A 20 0.228 -16.374 4.467 1.00 0.00 C ATOM 284 CG ASP A 20 -0.338 -17.692 4.957 1.00 0.00 C ATOM 285 OD1 ASP A 20 -1.366 -17.670 5.665 1.00 0.00 O ATOM 286 OD2 ASP A 20 0.248 -18.747 4.633 1.00 0.00 O ATOM 0 H ASP A 20 0.026 -15.377 1.677 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.781 -15.849 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.134 -16.563 3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.517 -15.765 5.324 1.00 0.00 H new ATOM 291 N ALA A 21 -1.530 -13.449 4.437 1.00 0.00 N ATOM 292 CA ALA A 21 -1.455 -12.014 4.685 1.00 0.00 C ATOM 293 C ALA A 21 -0.459 -11.701 5.796 1.00 0.00 C ATOM 294 O ALA A 21 0.480 -10.928 5.602 1.00 0.00 O ATOM 295 CB ALA A 21 -2.830 -11.467 5.037 1.00 0.00 C ATOM 0 H ALA A 21 -2.375 -13.895 4.793 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.106 -11.530 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.759 -10.395 5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.517 -11.650 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.201 -11.964 5.933 1.00 0.00 H new ATOM 301 N SER A 22 -0.669 -12.305 6.961 1.00 0.00 N ATOM 302 CA SER A 22 0.209 -12.087 8.105 1.00 0.00 C ATOM 303 C SER A 22 1.669 -12.298 7.717 1.00 0.00 C ATOM 304 O SER A 22 2.578 -11.788 8.372 1.00 0.00 O ATOM 305 CB SER A 22 -0.168 -13.029 9.251 1.00 0.00 C ATOM 306 OG SER A 22 0.745 -12.911 10.328 1.00 0.00 O ATOM 0 H SER A 22 -1.440 -12.949 7.138 1.00 0.00 H new ATOM 0 HA SER A 22 0.085 -11.056 8.436 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.176 -12.800 9.598 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.180 -14.058 8.891 1.00 0.00 H new ATOM 0 HG SER A 22 0.482 -13.521 11.048 1.00 0.00 H new ATOM 312 N LYS A 23 1.887 -13.054 6.646 1.00 0.00 N ATOM 313 CA LYS A 23 3.236 -13.334 6.168 1.00 0.00 C ATOM 314 C LYS A 23 3.750 -12.195 5.294 1.00 0.00 C ATOM 315 O LYS A 23 4.681 -12.373 4.509 1.00 0.00 O ATOM 316 CB LYS A 23 3.258 -14.646 5.380 1.00 0.00 C ATOM 317 CG LYS A 23 3.139 -15.882 6.254 1.00 0.00 C ATOM 318 CD LYS A 23 4.320 -16.012 7.200 1.00 0.00 C ATOM 319 CE LYS A 23 4.342 -17.372 7.881 1.00 0.00 C ATOM 320 NZ LYS A 23 5.722 -17.776 8.269 1.00 0.00 N ATOM 0 H LYS A 23 1.146 -13.484 6.092 1.00 0.00 H new ATOM 0 HA LYS A 23 3.890 -13.427 7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.440 -14.641 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.185 -14.702 4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.214 -15.834 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.077 -16.769 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.248 -15.866 6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.271 -15.227 7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.709 -17.344 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.919 -18.121 7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.694 -18.708 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.320 -17.827 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.116 -17.075 8.929 1.00 0.00 H new ATOM 334 N VAL A 24 3.138 -11.023 5.436 1.00 0.00 N ATOM 335 CA VAL A 24 3.536 -9.854 4.661 1.00 0.00 C ATOM 336 C VAL A 24 4.075 -8.752 5.566 1.00 0.00 C ATOM 337 O VAL A 24 3.420 -8.345 6.527 1.00 0.00 O ATOM 338 CB VAL A 24 2.358 -9.297 3.840 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.790 -8.072 3.049 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.800 -10.369 2.915 1.00 0.00 C ATOM 0 H VAL A 24 2.365 -10.858 6.081 1.00 0.00 H new ATOM 0 HA VAL A 24 4.323 -10.179 3.980 1.00 0.00 H new ATOM 0 HB VAL A 24 1.568 -8.995 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.944 -7.693 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.139 -7.300 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.597 -8.344 2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.968 -9.959 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.581 -10.703 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.450 -11.215 3.507 1.00 0.00 H new ATOM 350 N THR A 25 5.275 -8.271 5.254 1.00 0.00 N ATOM 351 CA THR A 25 5.904 -7.217 6.039 1.00 0.00 C ATOM 352 C THR A 25 6.460 -6.119 5.140 1.00 0.00 C ATOM 353 O THR A 25 7.144 -6.397 4.155 1.00 0.00 O ATOM 354 CB THR A 25 7.042 -7.772 6.916 1.00 0.00 C ATOM 355 OG1 THR A 25 7.960 -8.519 6.111 1.00 0.00 O ATOM 356 CG2 THR A 25 6.490 -8.659 8.021 1.00 0.00 C ATOM 0 H THR A 25 5.830 -8.595 4.462 1.00 0.00 H new ATOM 0 HA THR A 25 5.130 -6.799 6.683 1.00 0.00 H new ATOM 0 HB THR A 25 7.562 -6.931 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.996 -8.132 5.211 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.312 -9.039 8.627 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.814 -8.079 8.649 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.948 -9.495 7.580 1.00 0.00 H new ATOM 364 N ALA A 26 6.163 -4.870 5.485 1.00 0.00 N ATOM 365 CA ALA A 26 6.636 -3.730 4.710 1.00 0.00 C ATOM 366 C ALA A 26 7.627 -2.894 5.512 1.00 0.00 C ATOM 367 O ALA A 26 7.497 -2.759 6.729 1.00 0.00 O ATOM 368 CB ALA A 26 5.461 -2.874 4.260 1.00 0.00 C ATOM 0 H ALA A 26 5.597 -4.622 6.296 1.00 0.00 H new ATOM 0 HA ALA A 26 7.153 -4.110 3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.829 -2.026 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.791 -3.472 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.920 -2.510 5.134 1.00 0.00 H new ATOM 374 N SER A 27 8.616 -2.334 4.823 1.00 0.00 N ATOM 375 CA SER A 27 9.632 -1.514 5.473 1.00 0.00 C ATOM 376 C SER A 27 10.115 -0.407 4.541 1.00 0.00 C ATOM 377 O SER A 27 10.084 -0.552 3.319 1.00 0.00 O ATOM 378 CB SER A 27 10.814 -2.381 5.910 1.00 0.00 C ATOM 379 OG SER A 27 10.421 -3.322 6.894 1.00 0.00 O ATOM 0 H SER A 27 8.735 -2.433 3.815 1.00 0.00 H new ATOM 0 HA SER A 27 9.184 -1.053 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.224 -2.904 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.607 -1.747 6.305 1.00 0.00 H new ATOM 0 HG SER A 27 11.194 -3.865 7.155 1.00 0.00 H new ATOM 385 N GLY A 28 10.561 0.699 5.127 1.00 0.00 N ATOM 386 CA GLY A 28 11.044 1.815 4.335 1.00 0.00 C ATOM 387 C GLY A 28 10.669 3.157 4.934 1.00 0.00 C ATOM 388 O GLY A 28 10.121 3.238 6.033 1.00 0.00 O ATOM 0 H GLY A 28 10.597 0.843 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.128 1.751 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.636 1.744 3.327 1.00 0.00 H new ATOM 392 N PRO A 29 10.970 4.240 4.203 1.00 0.00 N ATOM 393 CA PRO A 29 10.670 5.604 4.649 1.00 0.00 C ATOM 394 C PRO A 29 9.174 5.899 4.650 1.00 0.00 C ATOM 395 O PRO A 29 8.677 6.632 5.503 1.00 0.00 O ATOM 396 CB PRO A 29 11.387 6.480 3.618 1.00 0.00 C ATOM 397 CG PRO A 29 11.475 5.632 2.396 1.00 0.00 C ATOM 398 CD PRO A 29 11.624 4.217 2.884 1.00 0.00 C ATOM 0 HA PRO A 29 10.994 5.777 5.675 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.832 7.398 3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.377 6.774 3.968 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.582 5.741 1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.325 5.924 1.779 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.144 3.507 2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.672 3.926 2.960 1.00 0.00 H new ATOM 406 N GLY A 30 8.461 5.321 3.688 1.00 0.00 N ATOM 407 CA GLY A 30 7.029 5.534 3.596 1.00 0.00 C ATOM 408 C GLY A 30 6.289 5.035 4.822 1.00 0.00 C ATOM 409 O GLY A 30 5.153 5.436 5.077 1.00 0.00 O ATOM 0 H GLY A 30 8.850 4.709 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.831 6.598 3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.645 5.026 2.712 1.00 0.00 H new ATOM 413 N LEU A 31 6.932 4.155 5.581 1.00 0.00 N ATOM 414 CA LEU A 31 6.328 3.598 6.787 1.00 0.00 C ATOM 415 C LEU A 31 7.181 3.902 8.014 1.00 0.00 C ATOM 416 O LEU A 31 7.121 3.189 9.016 1.00 0.00 O ATOM 417 CB LEU A 31 6.147 2.086 6.639 1.00 0.00 C ATOM 418 CG LEU A 31 5.449 1.616 5.362 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.862 0.192 5.022 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.938 1.713 5.514 1.00 0.00 C ATOM 0 H LEU A 31 7.872 3.811 5.383 1.00 0.00 H new ATOM 0 HA LEU A 31 5.352 4.063 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.129 1.616 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.578 1.723 7.495 1.00 0.00 H new ATOM 0 HG LEU A 31 5.754 2.267 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.356 -0.126 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.941 0.152 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.586 -0.472 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.458 1.375 4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.615 1.086 6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.658 2.748 5.710 1.00 0.00 H new ATOM 432 N SER A 32 7.973 4.966 7.929 1.00 0.00 N ATOM 433 CA SER A 32 8.840 5.364 9.032 1.00 0.00 C ATOM 434 C SER A 32 8.021 5.930 10.189 1.00 0.00 C ATOM 435 O SER A 32 7.436 7.007 10.082 1.00 0.00 O ATOM 436 CB SER A 32 9.860 6.401 8.559 1.00 0.00 C ATOM 437 OG SER A 32 10.752 6.752 9.603 1.00 0.00 O ATOM 0 H SER A 32 8.032 5.568 7.108 1.00 0.00 H new ATOM 0 HA SER A 32 9.370 4.478 9.383 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.422 6.003 7.714 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.341 7.292 8.205 1.00 0.00 H new ATOM 0 HG SER A 32 11.395 7.415 9.275 1.00 0.00 H new ATOM 443 N SER A 33 7.986 5.194 11.296 1.00 0.00 N ATOM 444 CA SER A 33 7.237 5.619 12.472 1.00 0.00 C ATOM 445 C SER A 33 7.708 6.989 12.951 1.00 0.00 C ATOM 446 O SER A 33 6.939 7.755 13.531 1.00 0.00 O ATOM 447 CB SER A 33 7.388 4.593 13.597 1.00 0.00 C ATOM 448 OG SER A 33 8.753 4.376 13.909 1.00 0.00 O ATOM 0 H SER A 33 8.468 4.301 11.402 1.00 0.00 H new ATOM 0 HA SER A 33 6.185 5.692 12.195 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.860 4.941 14.485 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.926 3.652 13.300 1.00 0.00 H new ATOM 0 HG SER A 33 8.823 3.718 14.632 1.00 0.00 H new ATOM 454 N TYR A 34 8.978 7.289 12.704 1.00 0.00 N ATOM 455 CA TYR A 34 9.555 8.565 13.112 1.00 0.00 C ATOM 456 C TYR A 34 8.887 9.724 12.378 1.00 0.00 C ATOM 457 O TYR A 34 8.749 10.820 12.920 1.00 0.00 O ATOM 458 CB TYR A 34 11.061 8.577 12.843 1.00 0.00 C ATOM 459 CG TYR A 34 11.882 8.000 13.973 1.00 0.00 C ATOM 460 CD1 TYR A 34 11.730 6.675 14.363 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.812 8.779 14.651 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.478 6.144 15.396 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.565 8.256 15.684 1.00 0.00 C ATOM 464 CZ TYR A 34 13.394 6.938 16.053 1.00 0.00 C ATOM 465 OH TYR A 34 14.142 6.412 17.082 1.00 0.00 O ATOM 0 H TYR A 34 9.628 6.667 12.223 1.00 0.00 H new ATOM 0 HA TYR A 34 9.383 8.688 14.181 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.264 8.013 11.933 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.381 9.603 12.660 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.015 6.049 13.850 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.948 9.812 14.365 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.346 5.112 15.687 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.284 8.876 16.200 1.00 0.00 H new ATOM 0 HH TYR A 34 14.740 7.102 17.437 1.00 0.00 H new ATOM 475 N GLY A 35 8.473 9.472 11.140 1.00 0.00 N ATOM 476 CA GLY A 35 7.824 10.503 10.351 1.00 0.00 C ATOM 477 C GLY A 35 8.303 10.520 8.913 1.00 0.00 C ATOM 478 O GLY A 35 9.393 10.036 8.608 1.00 0.00 O ATOM 0 H GLY A 35 8.575 8.573 10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.746 10.346 10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.012 11.476 10.805 1.00 0.00 H new ATOM 482 N VAL A 36 7.487 11.080 8.025 1.00 0.00 N ATOM 483 CA VAL A 36 7.833 11.158 6.611 1.00 0.00 C ATOM 484 C VAL A 36 7.848 12.604 6.128 1.00 0.00 C ATOM 485 O VAL A 36 7.079 13.447 6.591 1.00 0.00 O ATOM 486 CB VAL A 36 6.848 10.350 5.746 1.00 0.00 C ATOM 487 CG1 VAL A 36 7.029 8.858 5.985 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.416 10.774 6.032 1.00 0.00 C ATOM 0 H VAL A 36 6.582 11.486 8.260 1.00 0.00 H new ATOM 0 HA VAL A 36 8.831 10.732 6.506 1.00 0.00 H new ATOM 0 HB VAL A 36 7.060 10.555 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.325 8.302 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.047 8.569 5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.844 8.633 7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.734 10.193 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.188 10.600 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.298 11.834 5.806 1.00 0.00 H new ATOM 498 N PRO A 37 8.743 12.901 5.175 1.00 0.00 N ATOM 499 CA PRO A 37 8.879 14.246 4.607 1.00 0.00 C ATOM 500 C PRO A 37 7.684 14.633 3.743 1.00 0.00 C ATOM 501 O PRO A 37 7.381 13.970 2.751 1.00 0.00 O ATOM 502 CB PRO A 37 10.145 14.144 3.753 1.00 0.00 C ATOM 503 CG PRO A 37 10.250 12.700 3.402 1.00 0.00 C ATOM 504 CD PRO A 37 9.691 11.946 4.577 1.00 0.00 C ATOM 0 HA PRO A 37 8.931 15.012 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.071 14.764 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.023 14.482 4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.690 12.478 2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.286 12.418 3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.193 11.028 4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.473 11.662 5.281 1.00 0.00 H new ATOM 512 N ALA A 38 7.008 15.712 4.126 1.00 0.00 N ATOM 513 CA ALA A 38 5.847 16.189 3.384 1.00 0.00 C ATOM 514 C ALA A 38 6.235 16.614 1.972 1.00 0.00 C ATOM 515 O ALA A 38 7.417 16.681 1.636 1.00 0.00 O ATOM 516 CB ALA A 38 5.187 17.344 4.123 1.00 0.00 C ATOM 0 H ALA A 38 7.244 16.272 4.945 1.00 0.00 H new ATOM 0 HA ALA A 38 5.134 15.368 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.322 17.690 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.866 17.009 5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.900 18.161 4.232 1.00 0.00 H new ATOM 522 N SER A 39 5.231 16.899 1.148 1.00 0.00 N ATOM 523 CA SER A 39 5.467 17.314 -0.230 1.00 0.00 C ATOM 524 C SER A 39 6.664 16.575 -0.821 1.00 0.00 C ATOM 525 O SER A 39 7.449 17.147 -1.580 1.00 0.00 O ATOM 526 CB SER A 39 5.701 18.824 -0.298 1.00 0.00 C ATOM 527 OG SER A 39 4.580 19.536 0.195 1.00 0.00 O ATOM 0 H SER A 39 4.247 16.850 1.411 1.00 0.00 H new ATOM 0 HA SER A 39 4.582 17.065 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.586 19.085 0.283 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.898 19.119 -1.329 1.00 0.00 H new ATOM 0 HG SER A 39 4.755 20.499 0.143 1.00 0.00 H new ATOM 533 N LEU A 40 6.798 15.302 -0.470 1.00 0.00 N ATOM 534 CA LEU A 40 7.899 14.483 -0.965 1.00 0.00 C ATOM 535 C LEU A 40 7.411 13.091 -1.354 1.00 0.00 C ATOM 536 O LEU A 40 6.819 12.368 -0.554 1.00 0.00 O ATOM 537 CB LEU A 40 8.996 14.372 0.096 1.00 0.00 C ATOM 538 CG LEU A 40 10.366 13.910 -0.401 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.287 12.490 -0.940 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.895 14.858 -1.467 1.00 0.00 C ATOM 0 H LEU A 40 6.158 14.813 0.156 1.00 0.00 H new ATOM 0 HA LEU A 40 8.307 14.966 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.114 15.346 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.659 13.679 0.867 1.00 0.00 H new ATOM 0 HG LEU A 40 11.058 13.920 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.271 12.178 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.953 11.819 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.580 12.454 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.871 14.513 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.203 14.881 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.991 15.860 -1.048 1.00 0.00 H new ATOM 552 N PRO A 41 7.666 12.705 -2.613 1.00 0.00 N ATOM 553 CA PRO A 41 7.263 11.397 -3.137 1.00 0.00 C ATOM 554 C PRO A 41 8.063 10.254 -2.521 1.00 0.00 C ATOM 555 O PRO A 41 9.181 9.965 -2.948 1.00 0.00 O ATOM 556 CB PRO A 41 7.557 11.508 -4.635 1.00 0.00 C ATOM 557 CG PRO A 41 8.628 12.539 -4.735 1.00 0.00 C ATOM 558 CD PRO A 41 8.367 13.516 -3.623 1.00 0.00 C ATOM 0 HA PRO A 41 6.221 11.171 -2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.887 10.554 -5.046 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.668 11.805 -5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.615 12.088 -4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.602 13.036 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.294 13.934 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.757 14.354 -3.960 1.00 0.00 H new ATOM 566 N VAL A 42 7.484 9.607 -1.515 1.00 0.00 N ATOM 567 CA VAL A 42 8.143 8.495 -0.841 1.00 0.00 C ATOM 568 C VAL A 42 7.463 7.171 -1.173 1.00 0.00 C ATOM 569 O VAL A 42 6.245 7.110 -1.336 1.00 0.00 O ATOM 570 CB VAL A 42 8.147 8.688 0.687 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.724 8.751 1.222 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.930 7.572 1.363 1.00 0.00 C ATOM 0 H VAL A 42 6.560 9.834 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 42 9.172 8.472 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 42 8.637 9.635 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.747 8.888 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.199 9.588 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.205 7.822 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.922 7.724 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.471 6.612 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.959 7.579 1.003 1.00 0.00 H new ATOM 582 N ASP A 43 8.260 6.113 -1.272 1.00 0.00 N ATOM 583 CA ASP A 43 7.736 4.788 -1.583 1.00 0.00 C ATOM 584 C ASP A 43 8.423 3.719 -0.739 1.00 0.00 C ATOM 585 O ASP A 43 9.634 3.766 -0.524 1.00 0.00 O ATOM 586 CB ASP A 43 7.922 4.478 -3.070 1.00 0.00 C ATOM 587 CG ASP A 43 9.377 4.260 -3.437 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.254 4.836 -2.759 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.639 3.514 -4.403 1.00 0.00 O ATOM 0 H ASP A 43 9.271 6.147 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 43 6.672 4.782 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.348 3.588 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.520 5.299 -3.663 1.00 0.00 H new ATOM 594 N PHE A 44 7.641 2.757 -0.260 1.00 0.00 N ATOM 595 CA PHE A 44 8.173 1.678 0.563 1.00 0.00 C ATOM 596 C PHE A 44 8.268 0.381 -0.235 1.00 0.00 C ATOM 597 O PHE A 44 7.983 0.354 -1.432 1.00 0.00 O ATOM 598 CB PHE A 44 7.293 1.467 1.797 1.00 0.00 C ATOM 599 CG PHE A 44 5.838 1.284 1.471 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.010 2.381 1.297 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.298 0.015 1.339 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.671 2.216 0.997 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.960 -0.157 1.038 1.00 0.00 C ATOM 604 CZ PHE A 44 3.145 0.945 0.868 1.00 0.00 C ATOM 0 H PHE A 44 6.636 2.703 -0.428 1.00 0.00 H new ATOM 0 HA PHE A 44 9.175 1.961 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.648 0.592 2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.403 2.323 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.416 3.377 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.930 -0.850 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.037 3.080 0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.552 -1.152 0.936 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.099 0.813 0.635 1.00 0.00 H new ATOM 614 N ALA A 45 8.672 -0.692 0.437 1.00 0.00 N ATOM 615 CA ALA A 45 8.804 -1.993 -0.209 1.00 0.00 C ATOM 616 C ALA A 45 8.172 -3.092 0.638 1.00 0.00 C ATOM 617 O ALA A 45 8.388 -3.158 1.849 1.00 0.00 O ATOM 618 CB ALA A 45 10.269 -2.304 -0.473 1.00 0.00 C ATOM 0 H ALA A 45 8.914 -0.686 1.428 1.00 0.00 H new ATOM 0 HA ALA A 45 8.275 -1.955 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.353 -3.278 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.692 -1.539 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.814 -2.319 0.471 1.00 0.00 H new ATOM 624 N ILE A 46 7.390 -3.953 -0.005 1.00 0.00 N ATOM 625 CA ILE A 46 6.728 -5.049 0.690 1.00 0.00 C ATOM 626 C ILE A 46 7.360 -6.390 0.330 1.00 0.00 C ATOM 627 O ILE A 46 7.169 -6.902 -0.773 1.00 0.00 O ATOM 628 CB ILE A 46 5.224 -5.098 0.359 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.559 -3.766 0.712 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.555 -6.244 1.104 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.262 -3.524 -0.028 1.00 0.00 C ATOM 0 H ILE A 46 7.200 -3.912 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 46 6.852 -4.867 1.757 1.00 0.00 H new ATOM 0 HB ILE A 46 5.107 -5.269 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.367 -3.738 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.251 -2.954 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.493 -6.266 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.014 -7.187 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.678 -6.101 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.846 -2.562 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.451 -3.520 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.553 -4.316 0.212 1.00 0.00 H new ATOM 643 N ASP A 47 8.111 -6.954 1.269 1.00 0.00 N ATOM 644 CA ASP A 47 8.770 -8.237 1.053 1.00 0.00 C ATOM 645 C ASP A 47 7.980 -9.369 1.703 1.00 0.00 C ATOM 646 O ASP A 47 7.767 -9.374 2.915 1.00 0.00 O ATOM 647 CB ASP A 47 10.193 -8.205 1.611 1.00 0.00 C ATOM 648 CG ASP A 47 10.286 -7.436 2.915 1.00 0.00 C ATOM 649 OD1 ASP A 47 10.223 -6.190 2.875 1.00 0.00 O ATOM 650 OD2 ASP A 47 10.422 -8.082 3.975 1.00 0.00 O ATOM 0 H ASP A 47 8.279 -6.543 2.187 1.00 0.00 H new ATOM 0 HA ASP A 47 8.814 -8.419 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.541 -9.226 1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.858 -7.751 0.876 1.00 0.00 H new ATOM 655 N ALA A 48 7.548 -10.326 0.888 1.00 0.00 N ATOM 656 CA ALA A 48 6.783 -11.463 1.384 1.00 0.00 C ATOM 657 C ALA A 48 7.554 -12.766 1.199 1.00 0.00 C ATOM 658 O ALA A 48 7.986 -13.091 0.093 1.00 0.00 O ATOM 659 CB ALA A 48 5.436 -11.541 0.681 1.00 0.00 C ATOM 0 H ALA A 48 7.715 -10.336 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 48 6.615 -11.318 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.876 -12.395 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.874 -10.626 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.592 -11.658 -0.391 1.00 0.00 H new ATOM 665 N ARG A 49 7.724 -13.508 2.289 1.00 0.00 N ATOM 666 CA ARG A 49 8.445 -14.774 2.246 1.00 0.00 C ATOM 667 C ARG A 49 7.480 -15.944 2.078 1.00 0.00 C ATOM 668 O ARG A 49 7.643 -16.772 1.181 1.00 0.00 O ATOM 669 CB ARG A 49 9.269 -14.959 3.522 1.00 0.00 C ATOM 670 CG ARG A 49 10.460 -14.020 3.619 1.00 0.00 C ATOM 671 CD ARG A 49 11.593 -14.462 2.706 1.00 0.00 C ATOM 672 NE ARG A 49 11.483 -13.875 1.373 1.00 0.00 N ATOM 673 CZ ARG A 49 12.246 -14.233 0.347 1.00 0.00 C ATOM 674 NH1 ARG A 49 13.170 -15.173 0.499 1.00 0.00 N ATOM 675 NH2 ARG A 49 12.086 -13.653 -0.835 1.00 0.00 N ATOM 0 H ARG A 49 7.372 -13.254 3.212 1.00 0.00 H new ATOM 0 HA ARG A 49 9.116 -14.752 1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.624 -14.804 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.624 -15.989 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.150 -13.009 3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.814 -13.985 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.547 -14.178 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.590 -15.549 2.625 1.00 0.00 H new ATOM 0 HE ARG A 49 10.781 -13.150 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.296 -15.623 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.755 -15.446 -0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.376 -12.931 -0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.673 -13.929 -1.622 1.00 0.00 H new ATOM 689 N ASP A 50 6.475 -16.005 2.945 1.00 0.00 N ATOM 690 CA ASP A 50 5.483 -17.072 2.891 1.00 0.00 C ATOM 691 C ASP A 50 4.090 -16.508 2.629 1.00 0.00 C ATOM 692 O ASP A 50 3.087 -17.085 3.046 1.00 0.00 O ATOM 693 CB ASP A 50 5.487 -17.866 4.199 1.00 0.00 C ATOM 694 CG ASP A 50 6.581 -18.914 4.236 1.00 0.00 C ATOM 695 OD1 ASP A 50 7.014 -19.361 3.153 1.00 0.00 O ATOM 696 OD2 ASP A 50 7.007 -19.287 5.349 1.00 0.00 O ATOM 0 H ASP A 50 6.326 -15.328 3.693 1.00 0.00 H new ATOM 0 HA ASP A 50 5.746 -17.737 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.616 -17.180 5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.519 -18.350 4.330 1.00 0.00 H new ATOM 701 N ALA A 51 4.038 -15.375 1.936 1.00 0.00 N ATOM 702 CA ALA A 51 2.769 -14.732 1.617 1.00 0.00 C ATOM 703 C ALA A 51 2.216 -15.238 0.288 1.00 0.00 C ATOM 704 O ALA A 51 1.022 -15.124 0.018 1.00 0.00 O ATOM 705 CB ALA A 51 2.937 -13.221 1.580 1.00 0.00 C ATOM 0 H ALA A 51 4.860 -14.884 1.585 1.00 0.00 H new ATOM 0 HA ALA A 51 2.054 -14.987 2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.981 -12.754 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.279 -12.869 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.671 -12.955 0.820 1.00 0.00 H new ATOM 711 N GLY A 52 3.095 -15.796 -0.539 1.00 0.00 N ATOM 712 CA GLY A 52 2.676 -16.309 -1.830 1.00 0.00 C ATOM 713 C GLY A 52 2.136 -15.222 -2.738 1.00 0.00 C ATOM 714 O GLY A 52 2.709 -14.137 -2.826 1.00 0.00 O ATOM 0 H GLY A 52 4.089 -15.902 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.521 -16.797 -2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.910 -17.070 -1.684 1.00 0.00 H new ATOM 718 N GLU A 53 1.031 -15.515 -3.417 1.00 0.00 N ATOM 719 CA GLU A 53 0.416 -14.555 -4.325 1.00 0.00 C ATOM 720 C GLU A 53 -1.017 -14.244 -3.899 1.00 0.00 C ATOM 721 O GLU A 53 -1.752 -15.128 -3.463 1.00 0.00 O ATOM 722 CB GLU A 53 0.428 -15.093 -5.757 1.00 0.00 C ATOM 723 CG GLU A 53 -0.383 -14.254 -6.730 1.00 0.00 C ATOM 724 CD GLU A 53 0.424 -13.124 -7.340 1.00 0.00 C ATOM 725 OE1 GLU A 53 1.446 -12.732 -6.739 1.00 0.00 O ATOM 726 OE2 GLU A 53 0.034 -12.633 -8.420 1.00 0.00 O ATOM 0 H GLU A 53 0.544 -16.409 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 53 0.997 -13.634 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.459 -15.146 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.039 -16.111 -5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.764 -14.894 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.248 -13.839 -6.213 1.00 0.00 H new ATOM 733 N GLY A 54 -1.405 -12.979 -4.030 1.00 0.00 N ATOM 734 CA GLY A 54 -2.747 -12.573 -3.654 1.00 0.00 C ATOM 735 C GLY A 54 -3.069 -11.158 -4.094 1.00 0.00 C ATOM 736 O GLY A 54 -2.190 -10.296 -4.129 1.00 0.00 O ATOM 0 H GLY A 54 -0.815 -12.229 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.468 -13.261 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.856 -12.648 -2.572 1.00 0.00 H new ATOM 740 N LEU A 55 -4.331 -10.918 -4.431 1.00 0.00 N ATOM 741 CA LEU A 55 -4.767 -9.598 -4.872 1.00 0.00 C ATOM 742 C LEU A 55 -4.334 -8.522 -3.882 1.00 0.00 C ATOM 743 O LEU A 55 -4.903 -8.397 -2.796 1.00 0.00 O ATOM 744 CB LEU A 55 -6.287 -9.571 -5.040 1.00 0.00 C ATOM 745 CG LEU A 55 -6.833 -8.568 -6.058 1.00 0.00 C ATOM 746 CD1 LEU A 55 -8.136 -9.072 -6.658 1.00 0.00 C ATOM 747 CD2 LEU A 55 -7.033 -7.206 -5.410 1.00 0.00 C ATOM 0 H LEU A 55 -5.070 -11.620 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.298 -9.390 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.618 -10.568 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.736 -9.355 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.104 -8.462 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.509 -8.345 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.962 -10.024 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.873 -9.208 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.422 -6.505 -6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.741 -7.295 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.079 -6.840 -5.030 1.00 0.00 H new ATOM 759 N LEU A 56 -3.326 -7.746 -4.263 1.00 0.00 N ATOM 760 CA LEU A 56 -2.817 -6.678 -3.409 1.00 0.00 C ATOM 761 C LEU A 56 -3.608 -5.390 -3.617 1.00 0.00 C ATOM 762 O LEU A 56 -3.916 -5.015 -4.748 1.00 0.00 O ATOM 763 CB LEU A 56 -1.335 -6.431 -3.696 1.00 0.00 C ATOM 764 CG LEU A 56 -0.715 -5.208 -3.018 1.00 0.00 C ATOM 765 CD1 LEU A 56 -0.521 -5.463 -1.531 1.00 0.00 C ATOM 766 CD2 LEU A 56 0.609 -4.848 -3.676 1.00 0.00 C ATOM 0 H LEU A 56 -2.845 -7.836 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.933 -6.990 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.774 -7.314 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.206 -6.329 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.397 -4.366 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.079 -4.582 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.486 -5.672 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.141 -6.318 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.036 -3.976 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.298 -5.688 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.442 -4.622 -4.729 1.00 0.00 H new ATOM 778 N ALA A 57 -3.933 -4.717 -2.518 1.00 0.00 N ATOM 779 CA ALA A 57 -4.685 -3.470 -2.581 1.00 0.00 C ATOM 780 C ALA A 57 -4.023 -2.387 -1.735 1.00 0.00 C ATOM 781 O ALA A 57 -3.555 -2.650 -0.627 1.00 0.00 O ATOM 782 CB ALA A 57 -6.119 -3.695 -2.126 1.00 0.00 C ATOM 0 H ALA A 57 -3.687 -5.014 -1.574 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.693 -3.131 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.669 -2.755 -2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.595 -4.431 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.122 -4.060 -1.099 1.00 0.00 H new ATOM 788 N VAL A 58 -3.987 -1.169 -2.264 1.00 0.00 N ATOM 789 CA VAL A 58 -3.382 -0.046 -1.558 1.00 0.00 C ATOM 790 C VAL A 58 -4.435 0.980 -1.153 1.00 0.00 C ATOM 791 O VAL A 58 -4.981 1.689 -1.998 1.00 0.00 O ATOM 792 CB VAL A 58 -2.310 0.648 -2.419 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.801 1.904 -1.729 1.00 0.00 C ATOM 794 CG2 VAL A 58 -1.165 -0.309 -2.716 1.00 0.00 C ATOM 0 H VAL A 58 -4.370 -0.934 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.911 -0.452 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.763 0.942 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.044 2.380 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.630 2.594 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.363 1.639 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.416 0.197 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.711 -0.635 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.546 -1.176 -3.256 1.00 0.00 H new ATOM 804 N GLN A 59 -4.715 1.052 0.144 1.00 0.00 N ATOM 805 CA GLN A 59 -5.703 1.992 0.661 1.00 0.00 C ATOM 806 C GLN A 59 -5.032 3.102 1.462 1.00 0.00 C ATOM 807 O GLN A 59 -4.399 2.845 2.487 1.00 0.00 O ATOM 808 CB GLN A 59 -6.725 1.262 1.535 1.00 0.00 C ATOM 809 CG GLN A 59 -8.099 1.910 1.535 1.00 0.00 C ATOM 810 CD GLN A 59 -8.060 3.361 1.974 1.00 0.00 C ATOM 811 OE1 GLN A 59 -7.914 3.658 3.160 1.00 0.00 O ATOM 812 NE2 GLN A 59 -8.190 4.273 1.018 1.00 0.00 N ATOM 0 H GLN A 59 -4.272 0.471 0.856 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.217 2.442 -0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.818 0.233 1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.352 1.221 2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.525 1.849 0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.760 1.351 2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.309 3.981 0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.171 5.265 1.254 1.00 0.00 H new ATOM 821 N ILE A 60 -5.174 4.336 0.989 1.00 0.00 N ATOM 822 CA ILE A 60 -4.582 5.485 1.662 1.00 0.00 C ATOM 823 C ILE A 60 -5.638 6.538 1.984 1.00 0.00 C ATOM 824 O ILE A 60 -6.421 6.932 1.119 1.00 0.00 O ATOM 825 CB ILE A 60 -3.474 6.128 0.808 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.396 5.096 0.470 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.867 7.318 1.537 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.427 5.562 -0.594 1.00 0.00 C ATOM 0 H ILE A 60 -5.694 4.565 0.142 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.145 5.117 2.590 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.914 6.484 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.840 4.853 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.877 4.177 0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.085 7.762 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.642 8.060 1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.439 6.986 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.691 4.781 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.972 5.777 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.919 6.464 -0.254 1.00 0.00 H new ATOM 840 N THR A 61 -5.651 6.992 3.233 1.00 0.00 N ATOM 841 CA THR A 61 -6.609 8.000 3.669 1.00 0.00 C ATOM 842 C THR A 61 -5.935 9.066 4.525 1.00 0.00 C ATOM 843 O THR A 61 -4.915 8.808 5.165 1.00 0.00 O ATOM 844 CB THR A 61 -7.764 7.369 4.470 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.258 6.342 5.330 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.814 6.785 3.538 1.00 0.00 C ATOM 0 H THR A 61 -5.009 6.678 3.960 1.00 0.00 H new ATOM 0 HA THR A 61 -7.012 8.463 2.768 1.00 0.00 H new ATOM 0 HB THR A 61 -8.230 8.150 5.071 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.997 5.946 5.837 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.619 6.345 4.127 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.218 7.575 2.904 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.359 6.016 2.914 1.00 0.00 H new ATOM 854 N ASP A 62 -6.510 10.263 4.533 1.00 0.00 N ATOM 855 CA ASP A 62 -5.965 11.369 5.312 1.00 0.00 C ATOM 856 C ASP A 62 -6.927 11.776 6.423 1.00 0.00 C ATOM 857 O ASP A 62 -7.965 11.146 6.620 1.00 0.00 O ATOM 858 CB ASP A 62 -5.676 12.566 4.406 1.00 0.00 C ATOM 859 CG ASP A 62 -6.924 13.092 3.725 1.00 0.00 C ATOM 860 OD1 ASP A 62 -8.036 12.745 4.175 1.00 0.00 O ATOM 861 OD2 ASP A 62 -6.789 13.849 2.741 1.00 0.00 O ATOM 0 H ASP A 62 -7.354 10.493 4.009 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.032 11.036 5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.224 13.363 4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.947 12.277 3.649 1.00 0.00 H new ATOM 866 N GLN A 63 -6.574 12.834 7.147 1.00 0.00 N ATOM 867 CA GLN A 63 -7.406 13.324 8.239 1.00 0.00 C ATOM 868 C GLN A 63 -8.840 13.549 7.772 1.00 0.00 C ATOM 869 O GLN A 63 -9.777 13.498 8.569 1.00 0.00 O ATOM 870 CB GLN A 63 -6.830 14.625 8.802 1.00 0.00 C ATOM 871 CG GLN A 63 -7.220 15.859 8.005 1.00 0.00 C ATOM 872 CD GLN A 63 -6.647 15.851 6.601 1.00 0.00 C ATOM 873 OE1 GLN A 63 -7.312 15.440 5.649 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.408 16.307 6.465 1.00 0.00 N ATOM 0 H GLN A 63 -5.718 13.368 6.997 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.414 12.568 9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.167 14.746 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.743 14.549 8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.307 15.923 7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.875 16.750 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.894 16.638 7.281 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.970 16.327 5.544 1.00 0.00 H new ATOM 883 N GLU A 64 -9.004 13.799 6.477 1.00 0.00 N ATOM 884 CA GLU A 64 -10.325 14.033 5.905 1.00 0.00 C ATOM 885 C GLU A 64 -11.032 12.713 5.611 1.00 0.00 C ATOM 886 O GLU A 64 -12.258 12.656 5.540 1.00 0.00 O ATOM 887 CB GLU A 64 -10.211 14.860 4.623 1.00 0.00 C ATOM 888 CG GLU A 64 -11.473 14.848 3.777 1.00 0.00 C ATOM 889 CD GLU A 64 -12.570 15.721 4.355 1.00 0.00 C ATOM 890 OE1 GLU A 64 -13.223 15.289 5.327 1.00 0.00 O ATOM 891 OE2 GLU A 64 -12.776 16.837 3.833 1.00 0.00 O ATOM 0 H GLU A 64 -8.239 13.845 5.804 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.916 14.587 6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.969 15.890 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.381 14.479 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.234 15.190 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.837 13.824 3.688 1.00 0.00 H new ATOM 898 N GLY A 65 -10.247 11.653 5.440 1.00 0.00 N ATOM 899 CA GLY A 65 -10.815 10.348 5.155 1.00 0.00 C ATOM 900 C GLY A 65 -11.047 10.128 3.673 1.00 0.00 C ATOM 901 O GLY A 65 -11.691 9.158 3.275 1.00 0.00 O ATOM 0 H GLY A 65 -9.229 11.675 5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.148 9.574 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.760 10.242 5.687 1.00 0.00 H new ATOM 905 N LYS A 66 -10.522 11.033 2.853 1.00 0.00 N ATOM 906 CA LYS A 66 -10.675 10.934 1.407 1.00 0.00 C ATOM 907 C LYS A 66 -9.507 10.174 0.786 1.00 0.00 C ATOM 908 O LYS A 66 -8.396 10.155 1.317 1.00 0.00 O ATOM 909 CB LYS A 66 -10.775 12.331 0.788 1.00 0.00 C ATOM 910 CG LYS A 66 -9.435 13.033 0.651 1.00 0.00 C ATOM 911 CD LYS A 66 -9.609 14.520 0.394 1.00 0.00 C ATOM 912 CE LYS A 66 -8.329 15.147 -0.139 1.00 0.00 C ATOM 913 NZ LYS A 66 -8.573 16.495 -0.722 1.00 0.00 N ATOM 0 H LYS A 66 -9.987 11.843 3.166 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.593 10.384 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.236 12.251 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.436 12.944 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.851 12.886 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.870 12.585 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.417 14.675 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.902 15.018 1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.600 15.227 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.894 14.496 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.677 16.888 -1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.249 16.416 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.964 17.124 0.009 1.00 0.00 H new ATOM 927 N PRO A 67 -9.761 9.534 -0.364 1.00 0.00 N ATOM 928 CA PRO A 67 -8.742 8.763 -1.083 1.00 0.00 C ATOM 929 C PRO A 67 -7.670 9.653 -1.701 1.00 0.00 C ATOM 930 O PRO A 67 -7.977 10.648 -2.358 1.00 0.00 O ATOM 931 CB PRO A 67 -9.542 8.051 -2.176 1.00 0.00 C ATOM 932 CG PRO A 67 -10.738 8.912 -2.393 1.00 0.00 C ATOM 933 CD PRO A 67 -11.062 9.514 -1.054 1.00 0.00 C ATOM 0 HA PRO A 67 -8.201 8.086 -0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.958 7.948 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.829 7.046 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.532 9.688 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.576 8.327 -2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.479 10.516 -1.154 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.795 8.917 -0.512 1.00 0.00 H new ATOM 941 N LYS A 68 -6.410 9.290 -1.487 1.00 0.00 N ATOM 942 CA LYS A 68 -5.291 10.054 -2.025 1.00 0.00 C ATOM 943 C LYS A 68 -4.676 9.346 -3.227 1.00 0.00 C ATOM 944 O LYS A 68 -4.702 8.118 -3.317 1.00 0.00 O ATOM 945 CB LYS A 68 -4.227 10.267 -0.946 1.00 0.00 C ATOM 946 CG LYS A 68 -4.748 10.980 0.290 1.00 0.00 C ATOM 947 CD LYS A 68 -5.443 12.282 -0.069 1.00 0.00 C ATOM 948 CE LYS A 68 -4.501 13.238 -0.784 1.00 0.00 C ATOM 949 NZ LYS A 68 -4.548 13.060 -2.262 1.00 0.00 N ATOM 0 H LYS A 68 -6.138 8.470 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.669 11.023 -2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.820 9.299 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.404 10.844 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.443 10.329 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.921 11.184 0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.303 12.073 -0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.824 12.754 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.766 14.265 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.483 13.077 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.226 13.933 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.927 12.272 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.524 12.851 -2.556 1.00 0.00 H new ATOM 963 N ARG A 69 -4.122 10.127 -4.149 1.00 0.00 N ATOM 964 CA ARG A 69 -3.500 9.573 -5.346 1.00 0.00 C ATOM 965 C ARG A 69 -2.189 8.872 -5.003 1.00 0.00 C ATOM 966 O ARG A 69 -1.269 9.485 -4.461 1.00 0.00 O ATOM 967 CB ARG A 69 -3.246 10.679 -6.372 1.00 0.00 C ATOM 968 CG ARG A 69 -2.872 10.157 -7.750 1.00 0.00 C ATOM 969 CD ARG A 69 -2.224 11.239 -8.599 1.00 0.00 C ATOM 970 NE ARG A 69 -3.148 12.332 -8.891 1.00 0.00 N ATOM 971 CZ ARG A 69 -4.088 12.268 -9.827 1.00 0.00 C ATOM 972 NH1 ARG A 69 -4.228 11.170 -10.557 1.00 0.00 N ATOM 973 NH2 ARG A 69 -4.891 13.304 -10.035 1.00 0.00 N ATOM 0 H ARG A 69 -4.091 11.145 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.183 8.839 -5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.140 11.296 -6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.447 11.324 -6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.188 9.315 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.764 9.784 -8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.350 11.632 -8.080 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.871 10.803 -9.534 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.067 13.191 -8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.613 10.372 -10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.951 11.124 -11.275 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.787 14.151 -9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.613 13.254 -10.754 1.00 0.00 H new ATOM 987 N ALA A 70 -2.111 7.584 -5.322 1.00 0.00 N ATOM 988 CA ALA A 70 -0.913 6.801 -5.048 1.00 0.00 C ATOM 989 C ALA A 70 -0.525 5.952 -6.255 1.00 0.00 C ATOM 990 O ALA A 70 -1.387 5.491 -7.004 1.00 0.00 O ATOM 991 CB ALA A 70 -1.125 5.919 -3.827 1.00 0.00 C ATOM 0 H ALA A 70 -2.863 7.061 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.096 7.493 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.222 5.340 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.347 6.543 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.959 5.241 -4.008 1.00 0.00 H new ATOM 997 N ILE A 71 0.775 5.750 -6.437 1.00 0.00 N ATOM 998 CA ILE A 71 1.276 4.956 -7.552 1.00 0.00 C ATOM 999 C ILE A 71 1.591 3.529 -7.114 1.00 0.00 C ATOM 1000 O ILE A 71 2.098 3.304 -6.015 1.00 0.00 O ATOM 1001 CB ILE A 71 2.541 5.583 -8.167 1.00 0.00 C ATOM 1002 CG1 ILE A 71 2.269 7.031 -8.580 1.00 0.00 C ATOM 1003 CG2 ILE A 71 3.011 4.765 -9.361 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.497 7.914 -8.532 1.00 0.00 C ATOM 0 H ILE A 71 1.501 6.125 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 71 0.487 4.937 -8.304 1.00 0.00 H new ATOM 0 HB ILE A 71 3.332 5.581 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.863 7.042 -9.592 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.505 7.450 -7.925 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.906 5.221 -9.785 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.239 3.749 -9.039 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.225 4.738 -10.116 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.230 8.926 -8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.892 7.934 -7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.255 7.519 -9.208 1.00 0.00 H new ATOM 1016 N VAL A 72 1.288 2.569 -7.981 1.00 0.00 N ATOM 1017 CA VAL A 72 1.542 1.164 -7.686 1.00 0.00 C ATOM 1018 C VAL A 72 2.734 0.642 -8.480 1.00 0.00 C ATOM 1019 O VAL A 72 2.728 0.656 -9.711 1.00 0.00 O ATOM 1020 CB VAL A 72 0.310 0.294 -7.998 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.299 0.690 -9.335 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.684 -1.181 -7.989 1.00 0.00 C ATOM 0 H VAL A 72 0.866 2.738 -8.894 1.00 0.00 H new ATOM 0 HA VAL A 72 1.763 1.099 -6.621 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.437 0.461 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.168 0.065 -9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.605 1.736 -9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.439 0.554 -10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.198 -1.781 -8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.449 -1.367 -8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.070 -1.453 -7.006 1.00 0.00 H new ATOM 1032 N HIS A 73 3.757 0.181 -7.767 1.00 0.00 N ATOM 1033 CA HIS A 73 4.957 -0.348 -8.405 1.00 0.00 C ATOM 1034 C HIS A 73 4.931 -1.873 -8.433 1.00 0.00 C ATOM 1035 O HIS A 73 4.809 -2.521 -7.393 1.00 0.00 O ATOM 1036 CB HIS A 73 6.207 0.139 -7.671 1.00 0.00 C ATOM 1037 CG HIS A 73 7.405 0.281 -8.557 1.00 0.00 C ATOM 1038 ND1 HIS A 73 8.058 1.480 -8.755 1.00 0.00 N ATOM 1039 CD2 HIS A 73 8.071 -0.634 -9.300 1.00 0.00 C ATOM 1040 CE1 HIS A 73 9.071 1.296 -9.582 1.00 0.00 C ATOM 1041 NE2 HIS A 73 9.101 0.022 -9.928 1.00 0.00 N ATOM 0 H HIS A 73 3.779 0.163 -6.747 1.00 0.00 H new ATOM 0 HA HIS A 73 4.983 0.016 -9.432 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.993 1.101 -7.206 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.441 -0.559 -6.867 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.836 -1.685 -9.383 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.758 2.058 -9.918 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.779 -0.405 -10.559 1.00 0.00 H new ATOM 1049 N ASP A 74 5.044 -2.439 -9.629 1.00 0.00 N ATOM 1050 CA ASP A 74 5.034 -3.888 -9.793 1.00 0.00 C ATOM 1051 C ASP A 74 6.379 -4.387 -10.312 1.00 0.00 C ATOM 1052 O ASP A 74 6.751 -4.123 -11.454 1.00 0.00 O ATOM 1053 CB ASP A 74 3.917 -4.307 -10.751 1.00 0.00 C ATOM 1054 CG ASP A 74 4.079 -3.698 -12.130 1.00 0.00 C ATOM 1055 OD1 ASP A 74 3.835 -2.481 -12.274 1.00 0.00 O ATOM 1056 OD2 ASP A 74 4.450 -4.437 -13.065 1.00 0.00 O ATOM 0 H ASP A 74 5.144 -1.917 -10.499 1.00 0.00 H new ATOM 0 HA ASP A 74 4.853 -4.337 -8.816 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.904 -5.394 -10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.955 -4.008 -10.336 1.00 0.00 H new ATOM 1061 N ASN A 75 7.104 -5.108 -9.463 1.00 0.00 N ATOM 1062 CA ASN A 75 8.410 -5.641 -9.836 1.00 0.00 C ATOM 1063 C ASN A 75 8.279 -7.053 -10.399 1.00 0.00 C ATOM 1064 O ASN A 75 9.089 -7.484 -11.220 1.00 0.00 O ATOM 1065 CB ASN A 75 9.346 -5.647 -8.625 1.00 0.00 C ATOM 1066 CG ASN A 75 9.258 -4.364 -7.821 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.657 -3.297 -8.288 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.735 -4.464 -6.605 1.00 0.00 N ATOM 0 H ASN A 75 6.810 -5.337 -8.513 1.00 0.00 H new ATOM 0 HA ASN A 75 8.831 -4.998 -10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.100 -6.493 -7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.372 -5.791 -8.963 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.651 -3.635 -6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.417 -5.370 -6.259 1.00 0.00 H new ATOM 1075 N LYS A 76 7.254 -7.771 -9.951 1.00 0.00 N ATOM 1076 CA LYS A 76 7.015 -9.134 -10.410 1.00 0.00 C ATOM 1077 C LYS A 76 8.260 -9.996 -10.227 1.00 0.00 C ATOM 1078 O LYS A 76 8.511 -10.914 -11.008 1.00 0.00 O ATOM 1079 CB LYS A 76 6.595 -9.132 -11.881 1.00 0.00 C ATOM 1080 CG LYS A 76 5.232 -8.507 -12.124 1.00 0.00 C ATOM 1081 CD LYS A 76 4.113 -9.516 -11.929 1.00 0.00 C ATOM 1082 CE LYS A 76 3.816 -10.274 -13.214 1.00 0.00 C ATOM 1083 NZ LYS A 76 4.736 -11.429 -13.401 1.00 0.00 N ATOM 0 H LYS A 76 6.575 -7.431 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 76 6.210 -9.557 -9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.342 -8.592 -12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.586 -10.158 -12.249 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.089 -7.668 -11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.190 -8.107 -13.137 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.390 -10.221 -11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.213 -9.002 -11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.786 -10.629 -13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.905 -9.597 -14.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.215 -12.223 -13.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.517 -11.152 -14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.119 -11.720 -12.479 1.00 0.00 H new ATOM 1097 N ASP A 77 9.035 -9.695 -9.191 1.00 0.00 N ATOM 1098 CA ASP A 77 10.253 -10.445 -8.904 1.00 0.00 C ATOM 1099 C ASP A 77 10.213 -11.027 -7.494 1.00 0.00 C ATOM 1100 O ASP A 77 11.055 -11.845 -7.126 1.00 0.00 O ATOM 1101 CB ASP A 77 11.480 -9.546 -9.064 1.00 0.00 C ATOM 1102 CG ASP A 77 12.781 -10.313 -8.931 1.00 0.00 C ATOM 1103 OD1 ASP A 77 12.892 -11.400 -9.534 1.00 0.00 O ATOM 1104 OD2 ASP A 77 13.687 -9.827 -8.222 1.00 0.00 O ATOM 0 H ASP A 77 8.842 -8.937 -8.536 1.00 0.00 H new ATOM 0 HA ASP A 77 10.320 -11.268 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.446 -9.060 -10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.449 -8.756 -8.313 1.00 0.00 H new ATOM 1109 N GLY A 78 9.230 -10.598 -6.709 1.00 0.00 N ATOM 1110 CA GLY A 78 9.100 -11.086 -5.349 1.00 0.00 C ATOM 1111 C GLY A 78 8.948 -9.962 -4.342 1.00 0.00 C ATOM 1112 O GLY A 78 9.239 -10.135 -3.158 1.00 0.00 O ATOM 0 H GLY A 78 8.521 -9.921 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.236 -11.747 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.977 -11.682 -5.095 1.00 0.00 H new ATOM 1116 N THR A 79 8.491 -8.806 -4.813 1.00 0.00 N ATOM 1117 CA THR A 79 8.304 -7.649 -3.946 1.00 0.00 C ATOM 1118 C THR A 79 7.213 -6.730 -4.484 1.00 0.00 C ATOM 1119 O THR A 79 6.641 -6.985 -5.544 1.00 0.00 O ATOM 1120 CB THR A 79 9.608 -6.844 -3.794 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.021 -6.334 -5.067 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.713 -7.709 -3.207 1.00 0.00 C ATOM 0 H THR A 79 8.244 -8.646 -5.790 1.00 0.00 H new ATOM 0 HA THR A 79 8.006 -8.031 -2.970 1.00 0.00 H new ATOM 0 HB THR A 79 9.418 -6.013 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.850 -5.822 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.624 -7.119 -3.109 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.408 -8.072 -2.225 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.899 -8.557 -3.865 1.00 0.00 H new ATOM 1130 N TYR A 80 6.930 -5.661 -3.748 1.00 0.00 N ATOM 1131 CA TYR A 80 5.906 -4.705 -4.151 1.00 0.00 C ATOM 1132 C TYR A 80 6.211 -3.315 -3.600 1.00 0.00 C ATOM 1133 O TYR A 80 6.392 -3.139 -2.396 1.00 0.00 O ATOM 1134 CB TYR A 80 4.530 -5.166 -3.669 1.00 0.00 C ATOM 1135 CG TYR A 80 4.201 -6.592 -4.051 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.710 -6.897 -5.315 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.380 -7.633 -3.149 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.407 -8.198 -5.668 1.00 0.00 C ATOM 1139 CE2 TYR A 80 4.081 -8.937 -3.494 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.595 -9.214 -4.755 1.00 0.00 C ATOM 1141 OH TYR A 80 3.295 -10.511 -5.102 1.00 0.00 O ATOM 0 H TYR A 80 7.396 -5.435 -2.869 1.00 0.00 H new ATOM 0 HA TYR A 80 5.903 -4.652 -5.240 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.483 -5.069 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.769 -4.503 -4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.563 -6.104 -6.033 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.760 -7.419 -2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.025 -8.418 -6.654 1.00 0.00 H new ATOM 0 HE2 TYR A 80 4.227 -9.735 -2.781 1.00 0.00 H new ATOM 0 HH TYR A 80 2.629 -10.871 -4.479 1.00 0.00 H new ATOM 1151 N ALA A 81 6.266 -2.331 -4.492 1.00 0.00 N ATOM 1152 CA ALA A 81 6.546 -0.957 -4.096 1.00 0.00 C ATOM 1153 C ALA A 81 5.332 -0.062 -4.321 1.00 0.00 C ATOM 1154 O ALA A 81 4.543 -0.289 -5.238 1.00 0.00 O ATOM 1155 CB ALA A 81 7.748 -0.422 -4.861 1.00 0.00 C ATOM 0 H ALA A 81 6.120 -2.460 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 81 6.775 -0.952 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.946 0.605 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.620 -1.039 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.540 -0.449 -5.931 1.00 0.00 H new ATOM 1161 N VAL A 82 5.187 0.955 -3.478 1.00 0.00 N ATOM 1162 CA VAL A 82 4.069 1.884 -3.586 1.00 0.00 C ATOM 1163 C VAL A 82 4.504 3.308 -3.258 1.00 0.00 C ATOM 1164 O VAL A 82 4.993 3.584 -2.162 1.00 0.00 O ATOM 1165 CB VAL A 82 2.914 1.484 -2.649 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.703 2.374 -2.882 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.555 0.018 -2.843 1.00 0.00 C ATOM 0 H VAL A 82 5.830 1.156 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 82 3.721 1.842 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 82 3.241 1.621 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.898 2.076 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.972 3.412 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.370 2.273 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.737 -0.248 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.247 -0.148 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.423 -0.602 -2.619 1.00 0.00 H new ATOM 1177 N THR A 83 4.323 4.212 -4.216 1.00 0.00 N ATOM 1178 CA THR A 83 4.697 5.608 -4.030 1.00 0.00 C ATOM 1179 C THR A 83 3.480 6.464 -3.696 1.00 0.00 C ATOM 1180 O THR A 83 2.403 6.276 -4.261 1.00 0.00 O ATOM 1181 CB THR A 83 5.381 6.179 -5.287 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.428 5.301 -5.716 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.952 7.561 -5.012 1.00 0.00 C ATOM 0 H THR A 83 3.919 4.002 -5.129 1.00 0.00 H new ATOM 0 HA THR A 83 5.399 5.638 -3.197 1.00 0.00 H new ATOM 0 HB THR A 83 4.632 6.263 -6.075 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.857 5.670 -6.516 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.430 7.943 -5.914 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.148 8.234 -4.714 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.688 7.498 -4.211 1.00 0.00 H new ATOM 1191 N TYR A 84 3.659 7.403 -2.774 1.00 0.00 N ATOM 1192 CA TYR A 84 2.574 8.287 -2.362 1.00 0.00 C ATOM 1193 C TYR A 84 3.111 9.655 -1.955 1.00 0.00 C ATOM 1194 O TYR A 84 4.119 9.755 -1.253 1.00 0.00 O ATOM 1195 CB TYR A 84 1.795 7.666 -1.202 1.00 0.00 C ATOM 1196 CG TYR A 84 2.446 7.876 0.146 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.181 9.014 0.898 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.328 6.937 0.668 1.00 0.00 C ATOM 1199 CE1 TYR A 84 2.774 9.210 2.130 1.00 0.00 C ATOM 1200 CE2 TYR A 84 3.925 7.124 1.899 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.645 8.262 2.627 1.00 0.00 C ATOM 1202 OH TYR A 84 4.239 8.454 3.853 1.00 0.00 O ATOM 0 H TYR A 84 4.545 7.572 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 84 1.904 8.418 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.791 8.090 -1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.685 6.596 -1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.500 9.758 0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.550 6.045 0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.557 10.100 2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.607 6.384 2.290 1.00 0.00 H new ATOM 0 HH TYR A 84 4.627 7.610 4.164 1.00 0.00 H new ATOM 1212 N ILE A 85 2.431 10.707 -2.398 1.00 0.00 N ATOM 1213 CA ILE A 85 2.838 12.069 -2.079 1.00 0.00 C ATOM 1214 C ILE A 85 1.872 12.714 -1.091 1.00 0.00 C ATOM 1215 O ILE A 85 0.763 13.117 -1.443 1.00 0.00 O ATOM 1216 CB ILE A 85 2.921 12.944 -3.344 1.00 0.00 C ATOM 1217 CG1 ILE A 85 4.023 12.431 -4.274 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.170 14.397 -2.969 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.787 12.762 -5.731 1.00 0.00 C ATOM 0 H ILE A 85 1.595 10.642 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 85 3.828 12.004 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 85 1.969 12.884 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.977 12.857 -3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.106 11.350 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.226 15.002 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.354 14.756 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.109 14.476 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.607 12.368 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.849 12.313 -6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.734 13.844 -5.854 1.00 0.00 H new ATOM 1231 N PRO A 86 2.301 12.817 0.175 1.00 0.00 N ATOM 1232 CA PRO A 86 1.490 13.414 1.240 1.00 0.00 C ATOM 1233 C PRO A 86 1.328 14.921 1.070 1.00 0.00 C ATOM 1234 O PRO A 86 2.115 15.703 1.603 1.00 0.00 O ATOM 1235 CB PRO A 86 2.285 13.102 2.510 1.00 0.00 C ATOM 1236 CG PRO A 86 3.693 12.947 2.047 1.00 0.00 C ATOM 1237 CD PRO A 86 3.611 12.357 0.666 1.00 0.00 C ATOM 0 HA PRO A 86 0.475 13.018 1.249 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.195 13.906 3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.924 12.192 2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.207 13.908 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.255 12.296 2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.424 12.708 0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.672 11.269 0.690 1.00 0.00 H new ATOM 1245 N ASP A 87 0.304 15.321 0.324 1.00 0.00 N ATOM 1246 CA ASP A 87 0.039 16.735 0.084 1.00 0.00 C ATOM 1247 C ASP A 87 -0.346 17.442 1.380 1.00 0.00 C ATOM 1248 O ASP A 87 0.300 18.408 1.788 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.075 16.898 -0.951 1.00 0.00 C ATOM 1250 CG ASP A 87 -0.598 16.621 -2.363 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -0.503 15.433 -2.735 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -0.319 17.593 -3.097 1.00 0.00 O ATOM 0 H ASP A 87 -0.356 14.686 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 87 0.951 17.191 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.894 16.222 -0.708 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.472 17.912 -0.897 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.403 16.957 2.022 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.874 17.542 3.271 1.00 0.00 C ATOM 1259 C LYS A 88 -0.947 17.179 4.427 1.00 0.00 C ATOM 1260 O LYS A 88 -0.042 16.357 4.276 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.296 17.065 3.576 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.375 17.924 2.939 1.00 0.00 C ATOM 1263 CD LYS A 88 -5.761 17.348 3.181 1.00 0.00 C ATOM 1264 CE LYS A 88 -6.838 18.190 2.515 1.00 0.00 C ATOM 1265 NZ LYS A 88 -8.179 17.952 3.116 1.00 0.00 N ATOM 0 H LYS A 88 -1.950 16.160 1.697 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.876 18.626 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.408 16.038 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.443 17.054 4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.324 18.934 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.194 18.001 1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.805 16.329 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.951 17.293 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.582 19.246 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.871 17.961 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.885 18.544 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.435 16.950 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.154 18.195 4.127 1.00 0.00 H new ATOM 1279 N THR A 89 -1.178 17.795 5.582 1.00 0.00 N ATOM 1280 CA THR A 89 -0.363 17.537 6.762 1.00 0.00 C ATOM 1281 C THR A 89 -1.224 17.082 7.935 1.00 0.00 C ATOM 1282 O THR A 89 -2.270 17.667 8.214 1.00 0.00 O ATOM 1283 CB THR A 89 0.434 18.787 7.179 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.454 19.896 7.361 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.481 19.136 6.132 1.00 0.00 C ATOM 0 H THR A 89 -1.923 18.476 5.725 1.00 0.00 H new ATOM 0 HA THR A 89 0.335 16.743 6.497 1.00 0.00 H new ATOM 0 HB THR A 89 0.942 18.570 8.119 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.314 19.574 7.702 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.031 20.022 6.449 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.173 18.301 6.017 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.991 19.335 5.179 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.777 16.034 8.621 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.519 15.520 9.757 1.00 0.00 C ATOM 1295 C GLY A 90 -1.279 14.040 9.983 1.00 0.00 C ATOM 1296 O GLY A 90 -0.142 13.611 10.182 1.00 0.00 O ATOM 0 H GLY A 90 0.086 15.532 8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.235 16.072 10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.584 15.693 9.600 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.353 13.257 9.954 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.255 11.817 10.161 1.00 0.00 C ATOM 1302 C ARG A 91 -2.646 11.059 8.896 1.00 0.00 C ATOM 1303 O ARG A 91 -3.578 11.446 8.191 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.149 11.385 11.324 1.00 0.00 C ATOM 1305 CG ARG A 91 -4.615 11.740 11.130 1.00 0.00 C ATOM 1306 CD ARG A 91 -5.385 11.661 12.439 1.00 0.00 C ATOM 1307 NE ARG A 91 -5.292 12.901 13.204 1.00 0.00 N ATOM 1308 CZ ARG A 91 -5.507 12.975 14.513 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -5.826 11.885 15.198 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -5.404 14.140 15.139 1.00 0.00 N ATOM 0 H ARG A 91 -3.301 13.596 9.789 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.219 11.579 10.401 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.060 10.307 11.459 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.789 11.852 12.241 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.696 12.746 10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.061 11.062 10.402 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.432 11.441 12.231 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.999 10.836 13.038 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.049 13.757 12.706 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.907 10.988 14.720 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.991 11.944 16.203 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.159 14.980 14.615 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.569 14.195 16.144 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.926 9.978 8.615 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.195 9.167 7.433 1.00 0.00 C ATOM 1326 C TYR A 92 -2.425 7.708 7.815 1.00 0.00 C ATOM 1327 O TYR A 92 -1.610 7.100 8.509 1.00 0.00 O ATOM 1328 CB TYR A 92 -1.034 9.270 6.443 1.00 0.00 C ATOM 1329 CG TYR A 92 -1.073 10.519 5.592 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.819 10.562 4.421 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.363 11.655 5.959 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.857 11.701 3.640 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.396 12.799 5.185 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.144 12.817 4.026 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.178 13.954 3.252 1.00 0.00 O ATOM 0 H TYR A 92 -1.152 9.643 9.189 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.101 9.547 6.961 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.094 9.245 6.994 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.044 8.396 5.792 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.379 9.690 4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.225 11.644 6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.442 11.718 2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.161 13.674 5.486 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.739 14.688 3.730 1.00 0.00 H new ATOM 1345 N MET A 93 -3.542 7.152 7.356 1.00 0.00 N ATOM 1346 CA MET A 93 -3.879 5.763 7.648 1.00 0.00 C ATOM 1347 C MET A 93 -3.783 4.905 6.390 1.00 0.00 C ATOM 1348 O MET A 93 -4.391 5.218 5.366 1.00 0.00 O ATOM 1349 CB MET A 93 -5.289 5.671 8.236 1.00 0.00 C ATOM 1350 CG MET A 93 -5.708 4.254 8.590 1.00 0.00 C ATOM 1351 SD MET A 93 -7.440 4.143 9.078 1.00 0.00 S ATOM 1352 CE MET A 93 -7.348 4.691 10.780 1.00 0.00 C ATOM 0 H MET A 93 -4.228 7.641 6.781 1.00 0.00 H new ATOM 0 HA MET A 93 -3.163 5.387 8.379 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.342 6.291 9.131 1.00 0.00 H new ATOM 0 HB3 MET A 93 -6.000 6.083 7.520 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.534 3.603 7.733 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.081 3.886 9.403 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.345 4.677 11.221 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.693 4.025 11.342 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.950 5.705 10.815 1.00 0.00 H new ATOM 1362 N ILE A 94 -3.016 3.823 6.475 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.842 2.921 5.344 1.00 0.00 C ATOM 1364 C ILE A 94 -3.263 1.500 5.705 1.00 0.00 C ATOM 1365 O ILE A 94 -2.769 0.922 6.672 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.381 2.904 4.857 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.957 4.301 4.400 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.210 1.897 3.729 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.542 4.503 4.387 1.00 0.00 C ATOM 0 H ILE A 94 -2.506 3.550 7.315 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.479 3.294 4.542 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.741 2.603 5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.349 4.481 3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.410 5.043 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.172 1.897 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.477 0.902 4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.858 2.170 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.770 5.515 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.938 4.355 5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.000 3.785 3.707 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.178 0.941 4.918 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.648 -0.408 5.170 1.00 0.00 C ATOM 1383 C GLY A 95 -4.235 -1.379 4.081 1.00 0.00 C ATOM 1384 O GLY A 95 -4.915 -1.508 3.063 1.00 0.00 O ATOM 0 H GLY A 95 -4.602 1.399 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.257 -0.753 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.735 -0.401 5.253 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.115 -2.063 4.294 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.611 -3.026 3.323 1.00 0.00 C ATOM 1390 C VAL A 96 -3.340 -4.360 3.442 1.00 0.00 C ATOM 1391 O VAL A 96 -3.480 -4.908 4.536 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.099 -3.263 3.499 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.604 -4.312 2.515 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.333 -1.959 3.332 1.00 0.00 C ATOM 0 H VAL A 96 -2.540 -1.968 5.131 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.792 -2.603 2.335 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.922 -3.635 4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.466 -4.466 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.131 -5.250 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.792 -3.973 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.733 -2.145 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.515 -1.555 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.668 -1.242 4.081 1.00 0.00 H new ATOM 1404 N THR A 97 -3.804 -4.878 2.309 1.00 0.00 N ATOM 1405 CA THR A 97 -4.520 -6.147 2.286 1.00 0.00 C ATOM 1406 C THR A 97 -3.932 -7.091 1.243 1.00 0.00 C ATOM 1407 O THR A 97 -3.414 -6.652 0.216 1.00 0.00 O ATOM 1408 CB THR A 97 -6.018 -5.942 1.990 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.180 -5.059 0.874 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.736 -5.371 3.203 1.00 0.00 C ATOM 0 H THR A 97 -3.697 -4.438 1.395 1.00 0.00 H new ATOM 0 HA THR A 97 -4.410 -6.590 3.276 1.00 0.00 H new ATOM 0 HB THR A 97 -6.455 -6.912 1.752 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.135 -4.935 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.792 -5.235 2.970 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.635 -6.059 4.043 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.296 -4.409 3.467 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.017 -8.389 1.512 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.491 -9.395 0.598 1.00 0.00 C ATOM 1420 C TYR A 98 -4.430 -10.594 0.508 1.00 0.00 C ATOM 1421 O TYR A 98 -4.661 -11.291 1.495 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.104 -9.853 1.052 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.206 -10.285 -0.086 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.709 -9.359 -0.995 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -0.855 -11.619 -0.251 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.110 -9.750 -2.036 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.034 -12.018 -1.288 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.445 -11.080 -2.178 1.00 0.00 C ATOM 1429 OH TYR A 98 1.263 -11.473 -3.213 1.00 0.00 O ATOM 0 H TYR A 98 -4.445 -8.769 2.356 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.411 -8.943 -0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.622 -9.040 1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.215 -10.682 1.751 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.967 -8.316 -0.886 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.230 -12.357 0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.486 -9.018 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.231 -13.059 -1.401 1.00 0.00 H new ATOM 0 HH TYR A 98 1.780 -12.260 -2.941 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.970 -10.827 -0.684 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.878 -11.942 -0.883 1.00 0.00 C ATOM 1441 C GLY A 99 -7.135 -11.822 -0.045 1.00 0.00 C ATOM 1442 O GLY A 99 -7.574 -12.791 0.572 1.00 0.00 O ATOM 0 H GLY A 99 -4.795 -10.263 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.151 -12.000 -1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.367 -12.872 -0.634 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.717 -10.626 -0.021 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.925 -10.404 0.752 1.00 0.00 C ATOM 1448 C GLY A 100 -8.697 -10.561 2.242 1.00 0.00 C ATOM 1449 O GLY A 100 -9.619 -10.892 2.987 1.00 0.00 O ATOM 0 H GLY A 100 -7.373 -9.807 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.303 -9.402 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.693 -11.106 0.429 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.464 -10.326 2.678 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.117 -10.444 4.090 1.00 0.00 C ATOM 1455 C ASP A 101 -6.135 -9.351 4.501 1.00 0.00 C ATOM 1456 O ASP A 101 -5.026 -9.269 3.973 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.515 -11.821 4.375 1.00 0.00 C ATOM 1458 CG ASP A 101 -7.575 -12.890 4.552 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -7.990 -13.487 3.537 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -7.990 -13.129 5.706 1.00 0.00 O ATOM 0 H ASP A 101 -6.688 -10.053 2.074 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.029 -10.326 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.853 -12.102 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.903 -11.768 5.275 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.551 -8.513 5.444 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.709 -7.425 5.926 1.00 0.00 C ATOM 1467 C ASP A 102 -4.718 -7.927 6.971 1.00 0.00 C ATOM 1468 O ASP A 102 -5.096 -8.613 7.921 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.571 -6.308 6.517 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.796 -6.840 7.234 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.732 -7.971 7.758 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -8.820 -6.125 7.269 1.00 0.00 O ATOM 0 H ASP A 102 -7.467 -8.567 5.890 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.147 -7.030 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.972 -5.721 7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.884 -5.634 5.720 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.448 -7.581 6.789 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.403 -7.996 7.716 1.00 0.00 C ATOM 1479 C ILE A 103 -2.681 -7.483 9.124 1.00 0.00 C ATOM 1480 O ILE A 103 -3.343 -6.464 9.321 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.018 -7.497 7.264 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.053 -5.988 7.012 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.569 -8.238 6.013 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.256 -5.430 6.500 1.00 0.00 C ATOM 0 H ILE A 103 -3.118 -7.014 6.008 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.403 -9.086 7.723 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.299 -7.698 8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.840 -5.767 6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.318 -5.479 7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.412 -7.874 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.510 -9.306 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.287 -8.066 5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.157 -4.356 6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.043 -5.620 7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.513 -5.912 5.556 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.163 -8.204 10.130 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.341 -7.839 11.539 1.00 0.00 C ATOM 1498 C PRO A 104 -1.568 -6.579 11.913 1.00 0.00 C ATOM 1499 O PRO A 104 -1.563 -6.163 13.073 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.785 -9.050 12.292 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.813 -9.670 11.348 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.363 -9.430 9.970 1.00 0.00 C ATOM 0 HA PRO A 104 -3.382 -7.615 11.774 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.299 -8.750 13.220 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.578 -9.748 12.559 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.175 -9.224 11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.704 -10.737 11.544 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.567 -9.297 9.237 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -1.973 -10.266 9.630 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.916 -5.975 10.926 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.139 -4.761 11.152 1.00 0.00 C ATOM 1512 C LEU A 105 -0.950 -3.521 10.790 1.00 0.00 C ATOM 1513 O LEU A 105 -0.701 -2.431 11.306 1.00 0.00 O ATOM 1514 CB LEU A 105 1.151 -4.798 10.332 1.00 0.00 C ATOM 1515 CG LEU A 105 2.327 -5.545 10.963 1.00 0.00 C ATOM 1516 CD1 LEU A 105 2.874 -4.770 12.152 1.00 0.00 C ATOM 1517 CD2 LEU A 105 1.904 -6.944 11.384 1.00 0.00 C ATOM 0 H LEU A 105 -0.910 -6.306 9.961 1.00 0.00 H new ATOM 0 HA LEU A 105 0.113 -4.712 12.211 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.932 -5.256 9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.462 -3.772 10.135 1.00 0.00 H new ATOM 0 HG LEU A 105 3.119 -5.635 10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.710 -5.316 12.589 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.215 -3.789 11.821 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.090 -4.649 12.899 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.753 -7.462 11.831 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.096 -6.876 12.112 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.560 -7.498 10.511 1.00 0.00 H new ATOM 1529 N SER A 106 -1.923 -3.695 9.901 1.00 0.00 N ATOM 1530 CA SER A 106 -2.770 -2.589 9.469 1.00 0.00 C ATOM 1531 C SER A 106 -3.904 -2.353 10.462 1.00 0.00 C ATOM 1532 O SER A 106 -4.338 -3.258 11.175 1.00 0.00 O ATOM 1533 CB SER A 106 -3.345 -2.873 8.080 1.00 0.00 C ATOM 1534 OG SER A 106 -4.562 -3.594 8.168 1.00 0.00 O ATOM 0 H SER A 106 -2.144 -4.591 9.466 1.00 0.00 H new ATOM 0 HA SER A 106 -2.156 -1.689 9.424 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.513 -1.933 7.554 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.623 -3.442 7.494 1.00 0.00 H new ATOM 0 HG SER A 106 -4.383 -4.498 8.502 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.395 -1.106 10.512 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.886 -0.020 9.669 1.00 0.00 C ATOM 1542 C PRO A 107 -2.480 0.413 10.069 1.00 0.00 C ATOM 1543 O PRO A 107 -1.873 -0.167 10.969 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.884 1.115 9.910 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.454 0.838 11.259 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.486 -0.660 11.395 1.00 0.00 C ATOM 0 HA PRO A 107 -3.805 -0.319 8.624 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.392 2.087 9.880 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.662 1.127 9.146 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.842 1.288 12.041 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.454 1.260 11.354 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.322 -0.973 12.426 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.447 -1.071 11.086 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.967 1.437 9.395 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.631 1.947 9.679 1.00 0.00 C ATOM 1556 C TYR A 108 -0.686 3.410 10.107 1.00 0.00 C ATOM 1557 O TYR A 108 -1.336 4.233 9.463 1.00 0.00 O ATOM 1558 CB TYR A 108 0.267 1.797 8.450 1.00 0.00 C ATOM 1559 CG TYR A 108 1.007 0.479 8.398 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.319 -0.722 8.269 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.393 0.434 8.475 1.00 0.00 C ATOM 1562 CE1 TYR A 108 0.991 -1.928 8.222 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.074 -0.767 8.427 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.368 -1.945 8.301 1.00 0.00 C ATOM 1565 OH TYR A 108 3.041 -3.145 8.252 1.00 0.00 O ATOM 0 H TYR A 108 -2.457 1.930 8.648 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.214 1.363 10.499 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.341 1.898 7.551 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.991 2.611 8.438 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.759 -0.712 8.204 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.949 1.355 8.574 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.441 -2.852 8.124 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.152 -0.783 8.488 1.00 0.00 H new ATOM 0 HH TYR A 108 4.005 -2.982 8.319 1.00 0.00 H new ATOM 1575 N ARG A 109 0.003 3.726 11.199 1.00 0.00 N ATOM 1576 CA ARG A 109 0.033 5.090 11.715 1.00 0.00 C ATOM 1577 C ARG A 109 1.271 5.831 11.219 1.00 0.00 C ATOM 1578 O ARG A 109 2.401 5.408 11.467 1.00 0.00 O ATOM 1579 CB ARG A 109 0.009 5.080 13.244 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.321 4.635 13.830 1.00 0.00 C ATOM 1581 CD ARG A 109 -2.363 5.740 13.747 1.00 0.00 C ATOM 1582 NE ARG A 109 -2.264 6.671 14.868 1.00 0.00 N ATOM 1583 CZ ARG A 109 -2.792 6.439 16.065 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -3.453 5.313 16.294 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -2.660 7.335 17.035 1.00 0.00 N ATOM 0 H ARG A 109 0.547 3.057 11.743 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.852 5.610 11.349 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.796 4.418 13.607 1.00 0.00 H new ATOM 0 HB3 ARG A 109 0.240 6.081 13.609 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -1.679 3.755 13.296 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.182 4.342 14.871 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.240 6.285 12.811 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.359 5.298 13.730 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.762 7.547 14.724 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.557 4.623 15.551 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.857 5.137 17.214 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -2.153 8.203 16.862 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.066 7.156 17.953 1.00 0.00 H new ATOM 1599 N ILE A 110 1.051 6.938 10.519 1.00 0.00 N ATOM 1600 CA ILE A 110 2.148 7.738 9.990 1.00 0.00 C ATOM 1601 C ILE A 110 1.863 9.229 10.138 1.00 0.00 C ATOM 1602 O ILE A 110 0.707 9.653 10.146 1.00 0.00 O ATOM 1603 CB ILE A 110 2.410 7.423 8.505 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.208 5.930 8.235 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.816 7.852 8.112 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.695 5.491 6.872 1.00 0.00 C ATOM 0 H ILE A 110 0.122 7.302 10.305 1.00 0.00 H new ATOM 0 HA ILE A 110 3.034 7.480 10.570 1.00 0.00 H new ATOM 0 HB ILE A 110 1.698 7.983 7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.731 5.357 9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.148 5.693 8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.986 7.623 7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.927 8.924 8.272 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.544 7.317 8.722 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.520 4.422 6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.155 6.038 6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.762 5.696 6.783 1.00 0.00 H new ATOM 1618 N ARG A 111 2.925 10.020 10.255 1.00 0.00 N ATOM 1619 CA ARG A 111 2.789 11.464 10.402 1.00 0.00 C ATOM 1620 C ARG A 111 3.687 12.198 9.411 1.00 0.00 C ATOM 1621 O ARG A 111 4.873 11.894 9.289 1.00 0.00 O ATOM 1622 CB ARG A 111 3.136 11.887 11.831 1.00 0.00 C ATOM 1623 CG ARG A 111 2.076 11.509 12.852 1.00 0.00 C ATOM 1624 CD ARG A 111 2.432 12.018 14.240 1.00 0.00 C ATOM 1625 NE ARG A 111 3.489 11.223 14.860 1.00 0.00 N ATOM 1626 CZ ARG A 111 3.741 11.226 16.164 1.00 0.00 C ATOM 1627 NH1 ARG A 111 3.016 11.977 16.981 1.00 0.00 N ATOM 1628 NH2 ARG A 111 4.720 10.475 16.653 1.00 0.00 N ATOM 0 H ARG A 111 3.888 9.685 10.251 1.00 0.00 H new ATOM 0 HA ARG A 111 1.753 11.730 10.193 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.083 11.429 12.117 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.284 12.967 11.856 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.114 11.921 12.548 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.965 10.425 12.878 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.752 13.058 14.174 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.544 11.997 14.872 1.00 0.00 H new ATOM 0 HE ARG A 111 4.065 10.634 14.259 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.262 12.555 16.609 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.212 11.977 17.982 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.279 9.895 16.027 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.913 10.478 17.655 1.00 0.00 H new ATOM 1642 N ALA A 112 3.113 13.167 8.705 1.00 0.00 N ATOM 1643 CA ALA A 112 3.861 13.945 7.726 1.00 0.00 C ATOM 1644 C ALA A 112 4.514 15.161 8.374 1.00 0.00 C ATOM 1645 O ALA A 112 3.833 16.021 8.934 1.00 0.00 O ATOM 1646 CB ALA A 112 2.949 14.379 6.588 1.00 0.00 C ATOM 0 H ALA A 112 2.132 13.432 8.793 1.00 0.00 H new ATOM 0 HA ALA A 112 4.651 13.311 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.521 14.959 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.533 13.498 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.139 14.991 6.984 1.00 0.00 H new ATOM 1652 N THR A 113 5.840 15.227 8.297 1.00 0.00 N ATOM 1653 CA THR A 113 6.585 16.336 8.878 1.00 0.00 C ATOM 1654 C THR A 113 6.981 17.351 7.812 1.00 0.00 C ATOM 1655 O THR A 113 7.935 17.138 7.064 1.00 0.00 O ATOM 1656 CB THR A 113 7.855 15.843 9.598 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.726 15.193 8.666 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.501 14.883 10.724 1.00 0.00 C ATOM 0 H THR A 113 6.420 14.525 7.837 1.00 0.00 H new ATOM 0 HA THR A 113 5.926 16.814 9.604 1.00 0.00 H new ATOM 0 HB THR A 113 8.362 16.708 10.026 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.714 15.678 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.414 14.549 11.217 1.00 0.00 H new ATOM 0 HG22 THR A 113 6.862 15.390 11.447 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.973 14.022 10.315 1.00 0.00 H new ATOM 1666 N GLN A 114 6.242 18.454 7.749 1.00 0.00 N ATOM 1667 CA GLN A 114 6.517 19.502 6.773 1.00 0.00 C ATOM 1668 C GLN A 114 7.578 20.466 7.294 1.00 0.00 C ATOM 1669 O GLN A 114 7.404 21.093 8.340 1.00 0.00 O ATOM 1670 CB GLN A 114 5.235 20.267 6.440 1.00 0.00 C ATOM 1671 CG GLN A 114 4.391 20.600 7.660 1.00 0.00 C ATOM 1672 CD GLN A 114 3.266 21.566 7.345 1.00 0.00 C ATOM 1673 OE1 GLN A 114 2.852 21.700 6.193 1.00 0.00 O ATOM 1674 NE2 GLN A 114 2.763 22.245 8.370 1.00 0.00 N ATOM 0 H GLN A 114 5.449 18.645 8.362 1.00 0.00 H new ATOM 0 HA GLN A 114 6.895 19.029 5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.497 21.192 5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 114 4.638 19.675 5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.972 19.681 8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.029 21.030 8.432 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.136 22.103 9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.003 22.909 8.219 1.00 0.00 H new ATOM 1683 N THR A 115 8.679 20.581 6.558 1.00 0.00 N ATOM 1684 CA THR A 115 9.769 21.467 6.946 1.00 0.00 C ATOM 1685 C THR A 115 10.074 22.478 5.847 1.00 0.00 C ATOM 1686 O THR A 115 10.717 22.151 4.850 1.00 0.00 O ATOM 1687 CB THR A 115 11.050 20.675 7.269 1.00 0.00 C ATOM 1688 OG1 THR A 115 11.248 19.645 6.294 1.00 0.00 O ATOM 1689 CG2 THR A 115 10.969 20.057 8.657 1.00 0.00 C ATOM 0 H THR A 115 8.839 20.071 5.689 1.00 0.00 H new ATOM 0 HA THR A 115 9.442 21.995 7.842 1.00 0.00 H new ATOM 0 HB THR A 115 11.893 21.365 7.244 1.00 0.00 H new ATOM 0 HG1 THR A 115 11.173 20.027 5.395 1.00 0.00 H new ATOM 0 HG21 THR A 115 11.885 19.503 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 115 10.848 20.845 9.400 1.00 0.00 H new ATOM 0 HG23 THR A 115 10.117 19.379 8.704 1.00 0.00 H new ATOM 1697 N GLY A 116 9.609 23.709 6.035 1.00 0.00 N ATOM 1698 CA GLY A 116 9.843 24.749 5.050 1.00 0.00 C ATOM 1699 C GLY A 116 9.108 24.493 3.750 1.00 0.00 C ATOM 1700 O GLY A 116 9.703 24.044 2.770 1.00 0.00 O ATOM 0 H GLY A 116 9.074 24.005 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.528 25.709 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.912 24.822 4.851 1.00 0.00 H new ATOM 1704 N ASP A 117 7.810 24.776 3.740 1.00 0.00 N ATOM 1705 CA ASP A 117 6.991 24.573 2.550 1.00 0.00 C ATOM 1706 C ASP A 117 7.492 25.432 1.393 1.00 0.00 C ATOM 1707 O ASP A 117 7.761 24.927 0.304 1.00 0.00 O ATOM 1708 CB ASP A 117 5.528 24.901 2.849 1.00 0.00 C ATOM 1709 CG ASP A 117 4.699 25.052 1.589 1.00 0.00 C ATOM 1710 OD1 ASP A 117 5.077 24.461 0.556 1.00 0.00 O ATOM 1711 OD2 ASP A 117 3.673 25.762 1.635 1.00 0.00 O ATOM 0 H ASP A 117 7.302 25.147 4.543 1.00 0.00 H new ATOM 0 HA ASP A 117 7.068 23.525 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.101 24.112 3.469 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.476 25.824 3.427 1.00 0.00 H new ATOM 1716 N ALA A 118 7.613 26.732 1.638 1.00 0.00 N ATOM 1717 CA ALA A 118 8.082 27.661 0.617 1.00 0.00 C ATOM 1718 C ALA A 118 9.601 27.625 0.498 1.00 0.00 C ATOM 1719 O ALA A 118 10.315 27.754 1.493 1.00 0.00 O ATOM 1720 CB ALA A 118 7.608 29.073 0.930 1.00 0.00 C ATOM 0 H ALA A 118 7.393 27.166 2.534 1.00 0.00 H new ATOM 0 HA ALA A 118 7.662 27.352 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.966 29.756 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.519 29.094 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.000 29.382 1.899 1.00 0.00 H new ATOM 1726 N SER A 119 10.091 27.448 -0.725 1.00 0.00 N ATOM 1727 CA SER A 119 11.527 27.390 -0.973 1.00 0.00 C ATOM 1728 C SER A 119 12.120 28.793 -1.059 1.00 0.00 C ATOM 1729 O SER A 119 13.319 28.983 -0.862 1.00 0.00 O ATOM 1730 CB SER A 119 11.812 26.623 -2.266 1.00 0.00 C ATOM 1731 OG SER A 119 11.397 25.273 -2.160 1.00 0.00 O ATOM 0 H SER A 119 9.514 27.342 -1.560 1.00 0.00 H new ATOM 0 HA SER A 119 11.994 26.867 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.295 27.101 -3.098 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.878 26.663 -2.488 1.00 0.00 H new ATOM 0 HG SER A 119 11.588 24.805 -3.000 1.00 0.00 H new TER 1737 SER A 119