USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=33 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 113 THR OG1 : rot -71:sc= 0.0737 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 68 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.116) USER MOD Set 3.2: A 92 TYR OH : rot 175:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.086 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 0.256! 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 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -127:sc= -1.19 (180deg=-3.27!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -150:sc= 1.12 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00715 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -5:sc= 0.109 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 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 63 GLN : amide:sc= -2.13 K(o=-2.1,f=-6.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0415 X(o=-0.041,f=-0.2) USER MOD Single : A 76 LYS NZ :NH3+ -123:sc= -0.105 (180deg=-2.83!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.0284 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 41:sc= 0.0171 USER MOD Single : A 93 MET CE :methyl 175:sc= 0 (180deg=-0.027) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 149:sc= 0.62 USER MOD Single : A 106 SER OG : rot -29:sc= -0.185 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -3.33! C(o=-3.3!,f=-3!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.350 0.685 -27.962 1.00 0.00 N ATOM 2 CA GLY A 1 -18.062 -0.685 -28.341 1.00 0.00 C ATOM 3 C GLY A 1 -17.471 -1.491 -27.200 1.00 0.00 C ATOM 4 O GLY A 1 -17.480 -1.050 -26.051 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.292 0.952 -28.314 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.331 0.770 -26.926 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.635 1.317 -28.375 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.979 -1.164 -28.683 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.368 -0.688 -29.181 1.00 0.00 H new ATOM 8 N SER A 2 -16.959 -2.675 -27.518 1.00 0.00 N ATOM 9 CA SER A 2 -16.367 -3.547 -26.510 1.00 0.00 C ATOM 10 C SER A 2 -15.596 -4.689 -27.164 1.00 0.00 C ATOM 11 O SER A 2 -16.134 -5.418 -27.998 1.00 0.00 O ATOM 12 CB SER A 2 -17.452 -4.109 -25.590 1.00 0.00 C ATOM 13 OG SER A 2 -18.225 -5.092 -26.256 1.00 0.00 O ATOM 0 H SER A 2 -16.942 -3.053 -28.465 1.00 0.00 H new ATOM 0 HA SER A 2 -15.670 -2.955 -25.917 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.992 -4.543 -24.702 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.100 -3.301 -25.250 1.00 0.00 H new ATOM 0 HG SER A 2 -17.765 -5.370 -27.076 1.00 0.00 H new ATOM 19 N SER A 3 -14.333 -4.840 -26.779 1.00 0.00 N ATOM 20 CA SER A 3 -13.486 -5.891 -27.331 1.00 0.00 C ATOM 21 C SER A 3 -13.911 -7.261 -26.808 1.00 0.00 C ATOM 22 O SER A 3 -14.055 -8.212 -27.575 1.00 0.00 O ATOM 23 CB SER A 3 -12.020 -5.631 -26.979 1.00 0.00 C ATOM 24 OG SER A 3 -11.460 -4.643 -27.827 1.00 0.00 O ATOM 0 H SER A 3 -13.874 -4.248 -26.087 1.00 0.00 H new ATOM 0 HA SER A 3 -13.599 -5.883 -28.415 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.944 -5.309 -25.940 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.451 -6.557 -27.069 1.00 0.00 H new ATOM 0 HG SER A 3 -10.523 -4.494 -27.581 1.00 0.00 H new ATOM 30 N GLY A 4 -14.109 -7.352 -25.497 1.00 0.00 N ATOM 31 CA GLY A 4 -14.515 -8.607 -24.893 1.00 0.00 C ATOM 32 C GLY A 4 -14.021 -8.752 -23.468 1.00 0.00 C ATOM 33 O GLY A 4 -13.191 -7.967 -23.008 1.00 0.00 O ATOM 0 H GLY A 4 -13.995 -6.578 -24.842 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.603 -8.678 -24.906 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.135 -9.435 -25.492 1.00 0.00 H new ATOM 37 N SER A 5 -14.533 -9.757 -22.765 1.00 0.00 N ATOM 38 CA SER A 5 -14.142 -9.999 -21.380 1.00 0.00 C ATOM 39 C SER A 5 -12.751 -10.620 -21.309 1.00 0.00 C ATOM 40 O SER A 5 -11.877 -10.132 -20.593 1.00 0.00 O ATOM 41 CB SER A 5 -15.158 -10.914 -20.694 1.00 0.00 C ATOM 42 OG SER A 5 -16.224 -10.165 -20.136 1.00 0.00 O ATOM 0 H SER A 5 -15.219 -10.417 -23.131 1.00 0.00 H new ATOM 0 HA SER A 5 -14.119 -9.040 -20.862 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.551 -11.631 -21.415 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.664 -11.488 -19.910 1.00 0.00 H new ATOM 0 HG SER A 5 -16.860 -10.773 -19.705 1.00 0.00 H new ATOM 48 N SER A 6 -12.553 -11.701 -22.057 1.00 0.00 N ATOM 49 CA SER A 6 -11.270 -12.393 -22.077 1.00 0.00 C ATOM 50 C SER A 6 -10.871 -12.838 -20.673 1.00 0.00 C ATOM 51 O SER A 6 -9.714 -12.711 -20.274 1.00 0.00 O ATOM 52 CB SER A 6 -10.186 -11.486 -22.663 1.00 0.00 C ATOM 53 OG SER A 6 -10.120 -11.616 -24.073 1.00 0.00 O ATOM 0 H SER A 6 -13.265 -12.116 -22.657 1.00 0.00 H new ATOM 0 HA SER A 6 -11.373 -13.278 -22.705 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.394 -10.449 -22.400 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.220 -11.739 -22.226 1.00 0.00 H new ATOM 0 HG SER A 6 -9.421 -11.025 -24.424 1.00 0.00 H new ATOM 59 N GLY A 7 -11.840 -13.361 -19.927 1.00 0.00 N ATOM 60 CA GLY A 7 -11.571 -13.817 -18.576 1.00 0.00 C ATOM 61 C GLY A 7 -11.832 -15.300 -18.403 1.00 0.00 C ATOM 62 O GLY A 7 -12.229 -15.983 -19.348 1.00 0.00 O ATOM 0 H GLY A 7 -12.806 -13.477 -20.234 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.533 -13.602 -18.323 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.192 -13.258 -17.876 1.00 0.00 H new ATOM 66 N ARG A 8 -11.607 -15.801 -17.192 1.00 0.00 N ATOM 67 CA ARG A 8 -11.817 -17.214 -16.899 1.00 0.00 C ATOM 68 C ARG A 8 -12.502 -17.392 -15.547 1.00 0.00 C ATOM 69 O ARG A 8 -12.329 -16.578 -14.640 1.00 0.00 O ATOM 70 CB ARG A 8 -10.484 -17.963 -16.910 1.00 0.00 C ATOM 71 CG ARG A 8 -10.628 -19.466 -16.731 1.00 0.00 C ATOM 72 CD ARG A 8 -9.272 -20.151 -16.661 1.00 0.00 C ATOM 73 NE ARG A 8 -8.535 -20.035 -17.916 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.563 -20.865 -18.277 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.213 -21.867 -17.482 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.938 -20.694 -19.436 1.00 0.00 N ATOM 0 H ARG A 8 -11.280 -15.250 -16.399 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.464 -17.628 -17.673 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.974 -17.765 -17.853 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.850 -17.570 -16.115 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.189 -19.673 -15.820 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.203 -19.879 -17.560 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.685 -19.712 -15.854 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.410 -21.204 -16.418 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.780 -19.275 -18.550 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.691 -22.002 -16.591 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.466 -22.503 -17.762 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.204 -19.924 -20.050 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.192 -21.332 -19.712 1.00 0.00 H new ATOM 90 N SER A 9 -13.280 -18.463 -15.420 1.00 0.00 N ATOM 91 CA SER A 9 -13.994 -18.746 -14.181 1.00 0.00 C ATOM 92 C SER A 9 -13.107 -19.514 -13.206 1.00 0.00 C ATOM 93 O SER A 9 -12.330 -20.389 -13.590 1.00 0.00 O ATOM 94 CB SER A 9 -15.265 -19.547 -14.471 1.00 0.00 C ATOM 95 OG SER A 9 -16.214 -18.762 -15.172 1.00 0.00 O ATOM 0 H SER A 9 -13.431 -19.148 -16.160 1.00 0.00 H new ATOM 0 HA SER A 9 -14.269 -17.795 -13.724 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.015 -20.431 -15.058 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.699 -19.898 -13.535 1.00 0.00 H new ATOM 0 HG SER A 9 -17.016 -19.297 -15.347 1.00 0.00 H new ATOM 101 N PRO A 10 -13.224 -19.180 -11.912 1.00 0.00 N ATOM 102 CA PRO A 10 -12.441 -19.826 -10.854 1.00 0.00 C ATOM 103 C PRO A 10 -12.865 -21.272 -10.621 1.00 0.00 C ATOM 104 O PRO A 10 -14.039 -21.555 -10.381 1.00 0.00 O ATOM 105 CB PRO A 10 -12.744 -18.974 -9.619 1.00 0.00 C ATOM 106 CG PRO A 10 -14.075 -18.365 -9.895 1.00 0.00 C ATOM 107 CD PRO A 10 -14.129 -18.147 -11.382 1.00 0.00 C ATOM 0 HA PRO A 10 -11.381 -19.877 -11.104 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.767 -19.582 -8.715 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.982 -18.209 -9.469 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.881 -19.022 -9.567 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.193 -17.424 -9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -15.142 -18.263 -11.769 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.797 -17.145 -11.653 1.00 0.00 H new ATOM 115 N PHE A 11 -11.901 -22.185 -10.692 1.00 0.00 N ATOM 116 CA PHE A 11 -12.175 -23.603 -10.488 1.00 0.00 C ATOM 117 C PHE A 11 -12.642 -23.867 -9.060 1.00 0.00 C ATOM 118 O PHE A 11 -12.448 -23.041 -8.168 1.00 0.00 O ATOM 119 CB PHE A 11 -10.926 -24.433 -10.790 1.00 0.00 C ATOM 120 CG PHE A 11 -10.639 -24.573 -12.258 1.00 0.00 C ATOM 121 CD1 PHE A 11 -10.265 -23.472 -13.012 1.00 0.00 C ATOM 122 CD2 PHE A 11 -10.743 -25.805 -12.883 1.00 0.00 C ATOM 123 CE1 PHE A 11 -10.001 -23.598 -14.363 1.00 0.00 C ATOM 124 CE2 PHE A 11 -10.480 -25.937 -14.234 1.00 0.00 C ATOM 125 CZ PHE A 11 -10.108 -24.832 -14.974 1.00 0.00 C ATOM 0 H PHE A 11 -10.924 -21.968 -10.889 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.972 -23.896 -11.172 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.067 -23.972 -10.302 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.045 -25.425 -10.355 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.179 -22.505 -12.539 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.033 -26.672 -12.308 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.711 -22.732 -14.940 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.565 -26.903 -14.710 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.901 -24.933 -16.029 1.00 0.00 H new ATOM 135 N LYS A 12 -13.260 -25.025 -8.851 1.00 0.00 N ATOM 136 CA LYS A 12 -13.756 -25.401 -7.532 1.00 0.00 C ATOM 137 C LYS A 12 -12.607 -25.808 -6.615 1.00 0.00 C ATOM 138 O LYS A 12 -11.761 -26.621 -6.987 1.00 0.00 O ATOM 139 CB LYS A 12 -14.760 -26.549 -7.650 1.00 0.00 C ATOM 140 CG LYS A 12 -16.106 -26.125 -8.213 1.00 0.00 C ATOM 141 CD LYS A 12 -16.138 -26.239 -9.728 1.00 0.00 C ATOM 142 CE LYS A 12 -17.332 -25.503 -10.317 1.00 0.00 C ATOM 143 NZ LYS A 12 -17.240 -25.394 -11.799 1.00 0.00 N ATOM 0 H LYS A 12 -13.429 -25.720 -9.579 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.255 -24.534 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.338 -27.326 -8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.911 -26.991 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.893 -26.746 -7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.316 -25.096 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.217 -25.832 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.180 -27.290 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.250 -26.026 -10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.394 -24.505 -9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.072 -24.886 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.377 -24.873 -12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.207 -26.346 -12.216 1.00 0.00 H new ATOM 157 N VAL A 13 -12.584 -25.239 -5.414 1.00 0.00 N ATOM 158 CA VAL A 13 -11.541 -25.545 -4.443 1.00 0.00 C ATOM 159 C VAL A 13 -12.099 -25.562 -3.024 1.00 0.00 C ATOM 160 O VAL A 13 -12.904 -24.709 -2.651 1.00 0.00 O ATOM 161 CB VAL A 13 -10.388 -24.526 -4.517 1.00 0.00 C ATOM 162 CG1 VAL A 13 -9.330 -24.839 -3.470 1.00 0.00 C ATOM 163 CG2 VAL A 13 -9.782 -24.508 -5.912 1.00 0.00 C ATOM 0 H VAL A 13 -13.276 -24.563 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.158 -26.535 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.789 -23.534 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.524 -24.109 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.777 -24.795 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.930 -25.838 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.969 -23.783 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.395 -25.498 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.547 -24.230 -6.637 1.00 0.00 H new ATOM 173 N LYS A 14 -11.665 -26.540 -2.235 1.00 0.00 N ATOM 174 CA LYS A 14 -12.118 -26.669 -0.856 1.00 0.00 C ATOM 175 C LYS A 14 -10.941 -26.910 0.084 1.00 0.00 C ATOM 176 O LYS A 14 -11.030 -27.713 1.013 1.00 0.00 O ATOM 177 CB LYS A 14 -13.125 -27.815 -0.734 1.00 0.00 C ATOM 178 CG LYS A 14 -14.161 -27.601 0.356 1.00 0.00 C ATOM 179 CD LYS A 14 -15.348 -26.800 -0.153 1.00 0.00 C ATOM 180 CE LYS A 14 -16.222 -27.628 -1.082 1.00 0.00 C ATOM 181 NZ LYS A 14 -15.792 -27.507 -2.503 1.00 0.00 N ATOM 0 H LYS A 14 -10.999 -27.255 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.602 -25.735 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.635 -27.942 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.586 -28.741 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.505 -28.566 0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.703 -27.080 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.942 -26.451 0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.992 -25.915 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.184 -28.674 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.259 -27.306 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.606 -27.233 -3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.049 -26.783 -2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.420 -28.421 -2.832 1.00 0.00 H new ATOM 195 N VAL A 15 -9.839 -26.209 -0.163 1.00 0.00 N ATOM 196 CA VAL A 15 -8.645 -26.345 0.662 1.00 0.00 C ATOM 197 C VAL A 15 -8.030 -24.984 0.968 1.00 0.00 C ATOM 198 O VAL A 15 -7.960 -24.113 0.099 1.00 0.00 O ATOM 199 CB VAL A 15 -7.588 -27.232 -0.021 1.00 0.00 C ATOM 200 CG1 VAL A 15 -8.127 -28.638 -0.233 1.00 0.00 C ATOM 201 CG2 VAL A 15 -7.150 -26.616 -1.341 1.00 0.00 C ATOM 0 H VAL A 15 -9.749 -25.541 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.957 -26.817 1.594 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.717 -27.297 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.366 -29.250 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.388 -29.077 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.014 -28.596 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.403 -27.256 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.012 -26.520 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.721 -25.631 -1.158 1.00 0.00 H new ATOM 211 N LEU A 16 -7.585 -24.806 2.207 1.00 0.00 N ATOM 212 CA LEU A 16 -6.974 -23.550 2.628 1.00 0.00 C ATOM 213 C LEU A 16 -5.951 -23.072 1.603 1.00 0.00 C ATOM 214 O LEU A 16 -5.209 -23.860 1.016 1.00 0.00 O ATOM 215 CB LEU A 16 -6.306 -23.718 3.994 1.00 0.00 C ATOM 216 CG LEU A 16 -5.003 -24.518 4.009 1.00 0.00 C ATOM 217 CD1 LEU A 16 -4.051 -23.967 5.060 1.00 0.00 C ATOM 218 CD2 LEU A 16 -5.284 -25.992 4.262 1.00 0.00 C ATOM 0 H LEU A 16 -7.636 -25.516 2.938 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.760 -22.799 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.106 -22.728 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.015 -24.203 4.666 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.529 -24.422 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.129 -24.549 5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.824 -22.925 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.517 -24.032 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.345 -26.545 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.781 -26.108 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.928 -26.380 3.473 1.00 0.00 H new ATOM 230 N PRO A 17 -5.906 -21.750 1.384 1.00 0.00 N ATOM 231 CA PRO A 17 -4.975 -21.136 0.432 1.00 0.00 C ATOM 232 C PRO A 17 -3.529 -21.204 0.910 1.00 0.00 C ATOM 233 O PRO A 17 -3.264 -21.378 2.100 1.00 0.00 O ATOM 234 CB PRO A 17 -5.447 -19.682 0.361 1.00 0.00 C ATOM 235 CG PRO A 17 -6.130 -19.442 1.663 1.00 0.00 C ATOM 236 CD PRO A 17 -6.761 -20.751 2.048 1.00 0.00 C ATOM 0 HA PRO A 17 -4.980 -21.647 -0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.608 -19.000 0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.126 -19.527 -0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.419 -19.113 2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.882 -18.659 1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.774 -20.888 3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.794 -20.815 1.706 1.00 0.00 H new ATOM 244 N THR A 18 -2.594 -21.067 -0.026 1.00 0.00 N ATOM 245 CA THR A 18 -1.174 -21.113 0.300 1.00 0.00 C ATOM 246 C THR A 18 -0.680 -19.760 0.798 1.00 0.00 C ATOM 247 O THR A 18 0.282 -19.683 1.563 1.00 0.00 O ATOM 248 CB THR A 18 -0.332 -21.538 -0.918 1.00 0.00 C ATOM 249 OG1 THR A 18 -0.837 -22.764 -1.459 1.00 0.00 O ATOM 250 CG2 THR A 18 1.129 -21.712 -0.531 1.00 0.00 C ATOM 0 H THR A 18 -2.795 -20.923 -1.016 1.00 0.00 H new ATOM 0 HA THR A 18 -1.055 -21.853 1.091 1.00 0.00 H new ATOM 0 HB THR A 18 -0.401 -20.754 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.297 -23.026 -2.234 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.704 -22.012 -1.407 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.518 -20.769 -0.147 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.213 -22.479 0.238 1.00 0.00 H new ATOM 258 N TYR A 19 -1.343 -18.696 0.361 1.00 0.00 N ATOM 259 CA TYR A 19 -0.970 -17.344 0.762 1.00 0.00 C ATOM 260 C TYR A 19 -1.382 -17.071 2.205 1.00 0.00 C ATOM 261 O TYR A 19 -2.246 -17.753 2.756 1.00 0.00 O ATOM 262 CB TYR A 19 -1.616 -16.317 -0.169 1.00 0.00 C ATOM 263 CG TYR A 19 -3.021 -15.932 0.236 1.00 0.00 C ATOM 264 CD1 TYR A 19 -4.119 -16.643 -0.232 1.00 0.00 C ATOM 265 CD2 TYR A 19 -3.251 -14.858 1.087 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.405 -16.295 0.135 1.00 0.00 C ATOM 267 CE2 TYR A 19 -4.533 -14.504 1.460 1.00 0.00 C ATOM 268 CZ TYR A 19 -5.606 -15.225 0.981 1.00 0.00 C ATOM 269 OH TYR A 19 -6.885 -14.875 1.350 1.00 0.00 O ATOM 0 H TYR A 19 -2.142 -18.743 -0.271 1.00 0.00 H new ATOM 0 HA TYR A 19 0.114 -17.257 0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.996 -15.421 -0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.636 -16.719 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.965 -17.482 -0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.413 -14.290 1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.248 -16.858 -0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.694 -13.667 2.123 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.925 -13.910 1.517 1.00 0.00 H new ATOM 279 N ASP A 20 -0.757 -16.067 2.811 1.00 0.00 N ATOM 280 CA ASP A 20 -1.059 -15.700 4.190 1.00 0.00 C ATOM 281 C ASP A 20 -0.802 -14.215 4.425 1.00 0.00 C ATOM 282 O ASP A 20 0.346 -13.775 4.484 1.00 0.00 O ATOM 283 CB ASP A 20 -0.220 -16.535 5.158 1.00 0.00 C ATOM 284 CG ASP A 20 -0.926 -16.775 6.478 1.00 0.00 C ATOM 285 OD1 ASP A 20 -2.150 -17.024 6.460 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.254 -16.715 7.529 1.00 0.00 O ATOM 0 H ASP A 20 -0.039 -15.493 2.369 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.115 -15.901 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.016 -17.494 4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.727 -16.029 5.343 1.00 0.00 H new ATOM 291 N ALA A 21 -1.878 -13.447 4.559 1.00 0.00 N ATOM 292 CA ALA A 21 -1.769 -12.012 4.789 1.00 0.00 C ATOM 293 C ALA A 21 -0.791 -11.710 5.919 1.00 0.00 C ATOM 294 O ALA A 21 0.148 -10.933 5.749 1.00 0.00 O ATOM 295 CB ALA A 21 -3.137 -11.422 5.100 1.00 0.00 C ATOM 0 H ALA A 21 -2.836 -13.795 4.512 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.385 -11.551 3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.041 -10.350 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.809 -11.598 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.543 -11.896 5.994 1.00 0.00 H new ATOM 301 N SER A 22 -1.018 -12.328 7.073 1.00 0.00 N ATOM 302 CA SER A 22 -0.159 -12.122 8.233 1.00 0.00 C ATOM 303 C SER A 22 1.313 -12.237 7.847 1.00 0.00 C ATOM 304 O SER A 22 2.179 -11.617 8.463 1.00 0.00 O ATOM 305 CB SER A 22 -0.492 -13.137 9.328 1.00 0.00 C ATOM 306 OG SER A 22 -1.888 -13.199 9.559 1.00 0.00 O ATOM 0 H SER A 22 -1.790 -12.976 7.230 1.00 0.00 H new ATOM 0 HA SER A 22 -0.339 -11.116 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.124 -14.122 9.039 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.020 -12.863 10.250 1.00 0.00 H new ATOM 0 HG SER A 22 -2.074 -13.856 10.262 1.00 0.00 H new ATOM 312 N LYS A 23 1.587 -13.037 6.822 1.00 0.00 N ATOM 313 CA LYS A 23 2.953 -13.235 6.350 1.00 0.00 C ATOM 314 C LYS A 23 3.359 -12.129 5.381 1.00 0.00 C ATOM 315 O LYS A 23 4.193 -12.338 4.499 1.00 0.00 O ATOM 316 CB LYS A 23 3.087 -14.599 5.669 1.00 0.00 C ATOM 317 CG LYS A 23 3.192 -15.758 6.646 1.00 0.00 C ATOM 318 CD LYS A 23 4.511 -15.734 7.399 1.00 0.00 C ATOM 319 CE LYS A 23 4.698 -16.991 8.235 1.00 0.00 C ATOM 320 NZ LYS A 23 5.848 -16.867 9.173 1.00 0.00 N ATOM 0 H LYS A 23 0.881 -13.559 6.302 1.00 0.00 H new ATOM 0 HA LYS A 23 3.618 -13.200 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.226 -14.758 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.970 -14.592 5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.366 -15.713 7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.097 -16.700 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.334 -15.641 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.546 -14.857 8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.788 -17.190 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.857 -17.845 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.942 -17.744 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.721 -16.703 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.685 -16.068 9.818 1.00 0.00 H new ATOM 334 N VAL A 24 2.766 -10.952 5.550 1.00 0.00 N ATOM 335 CA VAL A 24 3.068 -9.812 4.692 1.00 0.00 C ATOM 336 C VAL A 24 3.659 -8.660 5.496 1.00 0.00 C ATOM 337 O VAL A 24 3.031 -8.149 6.425 1.00 0.00 O ATOM 338 CB VAL A 24 1.811 -9.317 3.953 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.093 -8.003 3.242 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.322 -10.371 2.971 1.00 0.00 C ATOM 0 H VAL A 24 2.073 -10.762 6.274 1.00 0.00 H new ATOM 0 HA VAL A 24 3.800 -10.152 3.960 1.00 0.00 H new ATOM 0 HB VAL A 24 1.023 -9.143 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.193 -7.669 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.393 -7.251 3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.895 -8.146 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.433 -10.005 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.104 -10.578 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.078 -11.286 3.511 1.00 0.00 H new ATOM 350 N THR A 25 4.871 -8.252 5.134 1.00 0.00 N ATOM 351 CA THR A 25 5.548 -7.160 5.822 1.00 0.00 C ATOM 352 C THR A 25 6.082 -6.133 4.830 1.00 0.00 C ATOM 353 O THR A 25 6.526 -6.484 3.737 1.00 0.00 O ATOM 354 CB THR A 25 6.713 -7.677 6.687 1.00 0.00 C ATOM 355 OG1 THR A 25 7.657 -8.376 5.869 1.00 0.00 O ATOM 356 CG2 THR A 25 6.205 -8.599 7.785 1.00 0.00 C ATOM 0 H THR A 25 5.404 -8.662 4.367 1.00 0.00 H new ATOM 0 HA THR A 25 4.809 -6.687 6.468 1.00 0.00 H new ATOM 0 HB THR A 25 7.200 -6.820 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.310 -8.444 4.955 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.046 -8.951 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.509 -8.055 8.424 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.696 -9.452 7.337 1.00 0.00 H new ATOM 364 N ALA A 26 6.037 -4.863 5.219 1.00 0.00 N ATOM 365 CA ALA A 26 6.520 -3.785 4.364 1.00 0.00 C ATOM 366 C ALA A 26 7.553 -2.930 5.090 1.00 0.00 C ATOM 367 O ALA A 26 7.505 -2.786 6.312 1.00 0.00 O ATOM 368 CB ALA A 26 5.357 -2.925 3.893 1.00 0.00 C ATOM 0 H ALA A 26 5.671 -4.555 6.120 1.00 0.00 H new ATOM 0 HA ALA A 26 7.003 -4.232 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.732 -2.124 3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.655 -3.539 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.850 -2.494 4.756 1.00 0.00 H new ATOM 374 N SER A 27 8.486 -2.365 4.331 1.00 0.00 N ATOM 375 CA SER A 27 9.533 -1.527 4.903 1.00 0.00 C ATOM 376 C SER A 27 9.818 -0.325 4.007 1.00 0.00 C ATOM 377 O SER A 27 9.327 -0.245 2.882 1.00 0.00 O ATOM 378 CB SER A 27 10.813 -2.341 5.105 1.00 0.00 C ATOM 379 OG SER A 27 11.178 -3.021 3.917 1.00 0.00 O ATOM 0 H SER A 27 8.538 -2.472 3.318 1.00 0.00 H new ATOM 0 HA SER A 27 9.185 -1.163 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.623 -1.680 5.413 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.666 -3.062 5.910 1.00 0.00 H new ATOM 0 HG SER A 27 12.000 -3.532 4.072 1.00 0.00 H new ATOM 385 N GLY A 28 10.616 0.609 4.515 1.00 0.00 N ATOM 386 CA GLY A 28 10.953 1.794 3.749 1.00 0.00 C ATOM 387 C GLY A 28 10.705 3.074 4.523 1.00 0.00 C ATOM 388 O GLY A 28 10.255 3.055 5.669 1.00 0.00 O ATOM 0 H GLY A 28 11.035 0.566 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.002 1.748 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.366 1.809 2.831 1.00 0.00 H new ATOM 392 N PRO A 29 11.004 4.219 3.891 1.00 0.00 N ATOM 393 CA PRO A 29 10.821 5.536 4.510 1.00 0.00 C ATOM 394 C PRO A 29 9.349 5.898 4.676 1.00 0.00 C ATOM 395 O PRO A 29 8.954 6.489 5.680 1.00 0.00 O ATOM 396 CB PRO A 29 11.497 6.489 3.522 1.00 0.00 C ATOM 397 CG PRO A 29 11.435 5.783 2.211 1.00 0.00 C ATOM 398 CD PRO A 29 11.544 4.317 2.525 1.00 0.00 C ATOM 0 HA PRO A 29 11.239 5.576 5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.980 7.448 3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.527 6.695 3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.501 6.003 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.246 6.103 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.971 3.712 1.822 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.577 3.971 2.475 1.00 0.00 H new ATOM 406 N GLY A 30 8.539 5.538 3.684 1.00 0.00 N ATOM 407 CA GLY A 30 7.120 5.833 3.741 1.00 0.00 C ATOM 408 C GLY A 30 6.474 5.332 5.017 1.00 0.00 C ATOM 409 O GLY A 30 5.560 5.964 5.550 1.00 0.00 O ATOM 0 H GLY A 30 8.841 5.047 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.973 6.910 3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.623 5.379 2.884 1.00 0.00 H new ATOM 413 N LEU A 31 6.946 4.192 5.509 1.00 0.00 N ATOM 414 CA LEU A 31 6.408 3.603 6.730 1.00 0.00 C ATOM 415 C LEU A 31 7.086 4.192 7.963 1.00 0.00 C ATOM 416 O LEU A 31 6.566 4.097 9.075 1.00 0.00 O ATOM 417 CB LEU A 31 6.588 2.085 6.711 1.00 0.00 C ATOM 418 CG LEU A 31 5.916 1.343 5.555 1.00 0.00 C ATOM 419 CD1 LEU A 31 6.487 -0.059 5.416 1.00 0.00 C ATOM 420 CD2 LEU A 31 4.409 1.290 5.760 1.00 0.00 C ATOM 0 H LEU A 31 7.701 3.657 5.081 1.00 0.00 H new ATOM 0 HA LEU A 31 5.344 3.835 6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.656 1.866 6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.203 1.682 7.648 1.00 0.00 H new ATOM 0 HG LEU A 31 6.118 1.888 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.996 -0.571 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.558 0.002 5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.317 -0.614 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.947 0.758 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.187 0.769 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.012 2.304 5.808 1.00 0.00 H new ATOM 432 N SER A 32 8.249 4.802 7.758 1.00 0.00 N ATOM 433 CA SER A 32 9.000 5.405 8.853 1.00 0.00 C ATOM 434 C SER A 32 8.057 5.985 9.903 1.00 0.00 C ATOM 435 O SER A 32 7.283 6.899 9.620 1.00 0.00 O ATOM 436 CB SER A 32 9.926 6.500 8.322 1.00 0.00 C ATOM 437 OG SER A 32 10.623 7.136 9.379 1.00 0.00 O ATOM 0 H SER A 32 8.692 4.892 6.844 1.00 0.00 H new ATOM 0 HA SER A 32 9.602 4.626 9.321 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.639 6.068 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.343 7.238 7.771 1.00 0.00 H new ATOM 0 HG SER A 32 11.209 7.831 9.013 1.00 0.00 H new ATOM 443 N SER A 33 8.129 5.447 11.116 1.00 0.00 N ATOM 444 CA SER A 33 7.280 5.907 12.208 1.00 0.00 C ATOM 445 C SER A 33 7.755 7.259 12.732 1.00 0.00 C ATOM 446 O SER A 33 6.960 8.060 13.227 1.00 0.00 O ATOM 447 CB SER A 33 7.273 4.882 13.344 1.00 0.00 C ATOM 448 OG SER A 33 8.592 4.575 13.762 1.00 0.00 O ATOM 0 H SER A 33 8.767 4.692 11.367 1.00 0.00 H new ATOM 0 HA SER A 33 6.266 6.020 11.824 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.703 5.272 14.187 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.772 3.972 13.014 1.00 0.00 H new ATOM 0 HG SER A 33 8.560 3.919 14.490 1.00 0.00 H new ATOM 454 N TYR A 34 9.055 7.507 12.619 1.00 0.00 N ATOM 455 CA TYR A 34 9.637 8.761 13.083 1.00 0.00 C ATOM 456 C TYR A 34 9.039 9.949 12.335 1.00 0.00 C ATOM 457 O TYR A 34 8.921 11.045 12.881 1.00 0.00 O ATOM 458 CB TYR A 34 11.156 8.741 12.900 1.00 0.00 C ATOM 459 CG TYR A 34 11.868 7.808 13.854 1.00 0.00 C ATOM 460 CD1 TYR A 34 11.992 6.454 13.569 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.418 8.281 15.039 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.641 5.598 14.437 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.070 7.433 15.912 1.00 0.00 C ATOM 464 CZ TYR A 34 13.179 6.092 15.607 1.00 0.00 C ATOM 465 OH TYR A 34 13.827 5.243 16.475 1.00 0.00 O ATOM 0 H TYR A 34 9.726 6.856 12.210 1.00 0.00 H new ATOM 0 HA TYR A 34 9.407 8.869 14.143 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.386 8.446 11.876 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.543 9.751 13.035 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.574 6.064 12.653 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.334 9.330 15.281 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.727 4.548 14.201 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.492 7.817 16.829 1.00 0.00 H new ATOM 0 HH TYR A 34 14.148 5.750 17.250 1.00 0.00 H new ATOM 475 N GLY A 35 8.663 9.721 11.080 1.00 0.00 N ATOM 476 CA GLY A 35 8.081 10.780 10.277 1.00 0.00 C ATOM 477 C GLY A 35 8.595 10.775 8.851 1.00 0.00 C ATOM 478 O GLY A 35 9.710 10.327 8.587 1.00 0.00 O ATOM 0 H GLY A 35 8.751 8.822 10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.996 10.672 10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.302 11.743 10.736 1.00 0.00 H new ATOM 482 N VAL A 36 7.778 11.272 7.927 1.00 0.00 N ATOM 483 CA VAL A 36 8.155 11.323 6.520 1.00 0.00 C ATOM 484 C VAL A 36 8.211 12.761 6.017 1.00 0.00 C ATOM 485 O VAL A 36 7.514 13.646 6.514 1.00 0.00 O ATOM 486 CB VAL A 36 7.172 10.522 5.646 1.00 0.00 C ATOM 487 CG1 VAL A 36 7.203 9.048 6.021 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.764 11.084 5.777 1.00 0.00 C ATOM 0 H VAL A 36 6.850 11.645 8.128 1.00 0.00 H new ATOM 0 HA VAL A 36 9.146 10.876 6.442 1.00 0.00 H new ATOM 0 HB VAL A 36 7.480 10.614 4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.502 8.498 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.209 8.656 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.920 8.933 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.082 10.506 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.443 11.024 6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.756 12.125 5.455 1.00 0.00 H new ATOM 498 N PRO A 37 9.058 13.001 5.006 1.00 0.00 N ATOM 499 CA PRO A 37 9.224 14.331 4.411 1.00 0.00 C ATOM 500 C PRO A 37 7.998 14.768 3.617 1.00 0.00 C ATOM 501 O PRO A 37 7.662 14.168 2.597 1.00 0.00 O ATOM 502 CB PRO A 37 10.429 14.157 3.483 1.00 0.00 C ATOM 503 CG PRO A 37 10.441 12.706 3.146 1.00 0.00 C ATOM 504 CD PRO A 37 9.920 11.994 4.364 1.00 0.00 C ATOM 0 HA PRO A 37 9.361 15.102 5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.331 14.771 2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.354 14.457 3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.815 12.502 2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.448 12.371 2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.360 11.098 4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.730 11.680 5.023 1.00 0.00 H new ATOM 512 N ALA A 38 7.335 15.817 4.091 1.00 0.00 N ATOM 513 CA ALA A 38 6.147 16.336 3.423 1.00 0.00 C ATOM 514 C ALA A 38 6.465 16.769 1.996 1.00 0.00 C ATOM 515 O ALA A 38 7.625 16.775 1.583 1.00 0.00 O ATOM 516 CB ALA A 38 5.564 17.499 4.212 1.00 0.00 C ATOM 0 H ALA A 38 7.600 16.325 4.935 1.00 0.00 H new ATOM 0 HA ALA A 38 5.408 15.536 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.678 17.877 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.291 17.160 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.305 18.295 4.289 1.00 0.00 H new ATOM 522 N SER A 39 5.428 17.130 1.247 1.00 0.00 N ATOM 523 CA SER A 39 5.597 17.561 -0.136 1.00 0.00 C ATOM 524 C SER A 39 6.729 16.791 -0.810 1.00 0.00 C ATOM 525 O SER A 39 7.530 17.364 -1.551 1.00 0.00 O ATOM 526 CB SER A 39 5.881 19.063 -0.193 1.00 0.00 C ATOM 527 OG SER A 39 4.677 19.809 -0.233 1.00 0.00 O ATOM 0 H SER A 39 4.462 17.133 1.575 1.00 0.00 H new ATOM 0 HA SER A 39 4.671 17.354 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.467 19.359 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.482 19.289 -1.074 1.00 0.00 H new ATOM 0 HG SER A 39 4.886 20.766 -0.267 1.00 0.00 H new ATOM 533 N LEU A 40 6.790 15.491 -0.547 1.00 0.00 N ATOM 534 CA LEU A 40 7.824 14.640 -1.128 1.00 0.00 C ATOM 535 C LEU A 40 7.276 13.250 -1.434 1.00 0.00 C ATOM 536 O LEU A 40 6.735 12.564 -0.567 1.00 0.00 O ATOM 537 CB LEU A 40 9.017 14.533 -0.177 1.00 0.00 C ATOM 538 CG LEU A 40 10.297 13.944 -0.770 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.064 12.512 -1.227 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.793 14.800 -1.925 1.00 0.00 C ATOM 0 H LEU A 40 6.136 15.002 0.065 1.00 0.00 H new ATOM 0 HA LEU A 40 8.152 15.095 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.242 15.529 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.722 13.923 0.677 1.00 0.00 H new ATOM 0 HG LEU A 40 11.063 13.936 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.986 12.109 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.756 11.904 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.282 12.495 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.705 14.365 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.030 14.840 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.001 15.809 -1.567 1.00 0.00 H new ATOM 552 N PRO A 41 7.422 12.822 -2.697 1.00 0.00 N ATOM 553 CA PRO A 41 6.951 11.508 -3.147 1.00 0.00 C ATOM 554 C PRO A 41 7.774 10.366 -2.561 1.00 0.00 C ATOM 555 O PRO A 41 8.858 10.053 -3.052 1.00 0.00 O ATOM 556 CB PRO A 41 7.127 11.569 -4.666 1.00 0.00 C ATOM 557 CG PRO A 41 8.208 12.571 -4.882 1.00 0.00 C ATOM 558 CD PRO A 41 8.058 13.586 -3.783 1.00 0.00 C ATOM 0 HA PRO A 41 5.927 11.312 -2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.402 10.596 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.203 11.871 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.190 12.099 -4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.115 13.040 -5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.022 13.992 -3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.442 14.429 -4.096 1.00 0.00 H new ATOM 566 N VAL A 42 7.250 9.745 -1.508 1.00 0.00 N ATOM 567 CA VAL A 42 7.936 8.636 -0.856 1.00 0.00 C ATOM 568 C VAL A 42 7.305 7.301 -1.234 1.00 0.00 C ATOM 569 O VAL A 42 6.082 7.183 -1.318 1.00 0.00 O ATOM 570 CB VAL A 42 7.914 8.786 0.677 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.484 8.764 1.195 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.743 7.691 1.331 1.00 0.00 C ATOM 0 H VAL A 42 6.353 9.991 -1.089 1.00 0.00 H new ATOM 0 HA VAL A 42 8.970 8.656 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 42 8.355 9.748 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.488 8.871 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.924 9.587 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.014 7.818 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.716 7.812 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.334 6.717 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.774 7.759 0.984 1.00 0.00 H new ATOM 582 N ASP A 43 8.146 6.298 -1.461 1.00 0.00 N ATOM 583 CA ASP A 43 7.670 4.970 -1.829 1.00 0.00 C ATOM 584 C ASP A 43 8.357 3.895 -0.992 1.00 0.00 C ATOM 585 O ASP A 43 9.571 3.931 -0.792 1.00 0.00 O ATOM 586 CB ASP A 43 7.917 4.710 -3.316 1.00 0.00 C ATOM 587 CG ASP A 43 9.376 4.868 -3.697 1.00 0.00 C ATOM 588 OD1 ASP A 43 9.928 5.970 -3.491 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.967 3.889 -4.200 1.00 0.00 O ATOM 0 H ASP A 43 9.161 6.379 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 43 6.598 4.928 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.587 3.702 -3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.313 5.399 -3.907 1.00 0.00 H new ATOM 594 N PHE A 44 7.571 2.941 -0.504 1.00 0.00 N ATOM 595 CA PHE A 44 8.103 1.857 0.314 1.00 0.00 C ATOM 596 C PHE A 44 8.209 0.567 -0.494 1.00 0.00 C ATOM 597 O PHE A 44 7.856 0.530 -1.672 1.00 0.00 O ATOM 598 CB PHE A 44 7.216 1.632 1.540 1.00 0.00 C ATOM 599 CG PHE A 44 5.755 1.521 1.211 1.00 0.00 C ATOM 600 CD1 PHE A 44 4.969 2.657 1.093 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.166 0.281 1.019 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.624 2.558 0.789 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.822 0.177 0.715 1.00 0.00 C ATOM 604 CZ PHE A 44 3.050 1.316 0.601 1.00 0.00 C ATOM 0 H PHE A 44 6.564 2.896 -0.661 1.00 0.00 H new ATOM 0 HA PHE A 44 9.102 2.142 0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.536 0.722 2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.361 2.455 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.413 3.631 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.764 -0.614 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.023 3.451 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.376 -0.795 0.567 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.999 1.236 0.365 1.00 0.00 H new ATOM 614 N ALA A 45 8.698 -0.488 0.148 1.00 0.00 N ATOM 615 CA ALA A 45 8.850 -1.780 -0.509 1.00 0.00 C ATOM 616 C ALA A 45 8.243 -2.899 0.331 1.00 0.00 C ATOM 617 O ALA A 45 8.574 -3.054 1.507 1.00 0.00 O ATOM 618 CB ALA A 45 10.319 -2.063 -0.785 1.00 0.00 C ATOM 0 H ALA A 45 8.996 -0.473 1.123 1.00 0.00 H new ATOM 0 HA ALA A 45 8.314 -1.742 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.417 -3.031 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.724 -1.285 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.870 -2.076 0.155 1.00 0.00 H new ATOM 624 N ILE A 46 7.352 -3.674 -0.279 1.00 0.00 N ATOM 625 CA ILE A 46 6.700 -4.778 0.414 1.00 0.00 C ATOM 626 C ILE A 46 7.401 -6.100 0.124 1.00 0.00 C ATOM 627 O ILE A 46 7.369 -6.598 -1.001 1.00 0.00 O ATOM 628 CB ILE A 46 5.218 -4.897 0.013 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.476 -3.595 0.325 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.567 -6.069 0.732 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.311 -3.327 -0.601 1.00 0.00 C ATOM 0 H ILE A 46 7.066 -3.558 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 46 6.763 -4.562 1.481 1.00 0.00 H new ATOM 0 HB ILE A 46 5.161 -5.077 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.113 -3.631 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.177 -2.763 0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.520 -6.140 0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.082 -6.992 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.632 -5.916 1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.832 -2.389 -0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.671 -3.259 -1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.589 -4.140 -0.522 1.00 0.00 H new ATOM 643 N ASP A 47 8.033 -6.665 1.147 1.00 0.00 N ATOM 644 CA ASP A 47 8.740 -7.933 1.003 1.00 0.00 C ATOM 645 C ASP A 47 7.973 -9.063 1.682 1.00 0.00 C ATOM 646 O ASP A 47 7.754 -9.038 2.893 1.00 0.00 O ATOM 647 CB ASP A 47 10.147 -7.826 1.595 1.00 0.00 C ATOM 648 CG ASP A 47 10.959 -6.714 0.962 1.00 0.00 C ATOM 649 OD1 ASP A 47 10.412 -5.604 0.792 1.00 0.00 O ATOM 650 OD2 ASP A 47 12.140 -6.953 0.635 1.00 0.00 O ATOM 0 H ASP A 47 8.070 -6.265 2.085 1.00 0.00 H new ATOM 0 HA ASP A 47 8.818 -8.159 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.074 -7.652 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.668 -8.774 1.460 1.00 0.00 H new ATOM 655 N ALA A 48 7.567 -10.053 0.894 1.00 0.00 N ATOM 656 CA ALA A 48 6.826 -11.193 1.419 1.00 0.00 C ATOM 657 C ALA A 48 7.675 -12.459 1.393 1.00 0.00 C ATOM 658 O ALA A 48 8.206 -12.840 0.350 1.00 0.00 O ATOM 659 CB ALA A 48 5.543 -11.398 0.627 1.00 0.00 C ATOM 0 H ALA A 48 7.739 -10.088 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 48 6.569 -10.981 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.999 -12.253 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.922 -10.505 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.787 -11.583 -0.419 1.00 0.00 H new ATOM 665 N ARG A 49 7.798 -13.107 2.547 1.00 0.00 N ATOM 666 CA ARG A 49 8.585 -14.330 2.656 1.00 0.00 C ATOM 667 C ARG A 49 7.696 -15.562 2.512 1.00 0.00 C ATOM 668 O ARG A 49 7.929 -16.410 1.651 1.00 0.00 O ATOM 669 CB ARG A 49 9.319 -14.371 3.997 1.00 0.00 C ATOM 670 CG ARG A 49 10.429 -13.339 4.116 1.00 0.00 C ATOM 671 CD ARG A 49 11.758 -13.892 3.625 1.00 0.00 C ATOM 672 NE ARG A 49 11.949 -13.667 2.195 1.00 0.00 N ATOM 673 CZ ARG A 49 13.131 -13.735 1.592 1.00 0.00 C ATOM 674 NH1 ARG A 49 14.221 -14.019 2.292 1.00 0.00 N ATOM 675 NH2 ARG A 49 13.225 -13.519 0.286 1.00 0.00 N ATOM 0 H ARG A 49 7.363 -12.806 3.419 1.00 0.00 H new ATOM 0 HA ARG A 49 9.317 -14.335 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.600 -14.212 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.742 -15.365 4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.167 -12.453 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.526 -13.025 5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.572 -13.423 4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.805 -14.961 3.833 1.00 0.00 H new ATOM 0 HE ARG A 49 11.130 -13.446 1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.153 -14.186 3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.127 -14.071 1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.389 -13.300 -0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.133 -13.572 -0.176 1.00 0.00 H new ATOM 689 N ASP A 50 6.679 -15.654 3.361 1.00 0.00 N ATOM 690 CA ASP A 50 5.755 -16.781 3.329 1.00 0.00 C ATOM 691 C ASP A 50 4.326 -16.307 3.083 1.00 0.00 C ATOM 692 O ASP A 50 3.366 -16.961 3.488 1.00 0.00 O ATOM 693 CB ASP A 50 5.827 -17.565 4.640 1.00 0.00 C ATOM 694 CG ASP A 50 5.532 -19.040 4.450 1.00 0.00 C ATOM 695 OD1 ASP A 50 5.781 -19.556 3.341 1.00 0.00 O ATOM 696 OD2 ASP A 50 5.051 -19.678 5.411 1.00 0.00 O ATOM 0 H ASP A 50 6.473 -14.961 4.081 1.00 0.00 H new ATOM 0 HA ASP A 50 6.048 -17.435 2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.820 -17.449 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.116 -17.144 5.351 1.00 0.00 H new ATOM 701 N ALA A 51 4.194 -15.163 2.418 1.00 0.00 N ATOM 702 CA ALA A 51 2.883 -14.602 2.118 1.00 0.00 C ATOM 703 C ALA A 51 2.306 -15.204 0.842 1.00 0.00 C ATOM 704 O ALA A 51 1.092 -15.216 0.642 1.00 0.00 O ATOM 705 CB ALA A 51 2.973 -13.088 1.995 1.00 0.00 C ATOM 0 H ALA A 51 4.979 -14.608 2.077 1.00 0.00 H new ATOM 0 HA ALA A 51 2.213 -14.850 2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.987 -12.682 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.334 -12.667 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.663 -12.829 1.192 1.00 0.00 H new ATOM 711 N GLY A 52 3.186 -15.704 -0.021 1.00 0.00 N ATOM 712 CA GLY A 52 2.745 -16.301 -1.269 1.00 0.00 C ATOM 713 C GLY A 52 2.176 -15.278 -2.232 1.00 0.00 C ATOM 714 O GLY A 52 2.676 -14.157 -2.321 1.00 0.00 O ATOM 0 H GLY A 52 4.196 -15.706 0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.585 -16.812 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.989 -17.058 -1.059 1.00 0.00 H new ATOM 718 N GLU A 53 1.130 -15.665 -2.955 1.00 0.00 N ATOM 719 CA GLU A 53 0.495 -14.773 -3.918 1.00 0.00 C ATOM 720 C GLU A 53 -0.949 -14.482 -3.521 1.00 0.00 C ATOM 721 O GLU A 53 -1.724 -15.397 -3.244 1.00 0.00 O ATOM 722 CB GLU A 53 0.538 -15.385 -5.319 1.00 0.00 C ATOM 723 CG GLU A 53 -0.295 -14.628 -6.340 1.00 0.00 C ATOM 724 CD GLU A 53 0.118 -14.929 -7.768 1.00 0.00 C ATOM 725 OE1 GLU A 53 1.282 -14.645 -8.122 1.00 0.00 O ATOM 726 OE2 GLU A 53 -0.723 -15.448 -8.531 1.00 0.00 O ATOM 0 H GLU A 53 0.704 -16.590 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 53 1.048 -13.833 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.573 -15.419 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.186 -16.415 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.346 -14.885 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.203 -13.557 -6.157 1.00 0.00 H new ATOM 733 N GLY A 54 -1.304 -13.201 -3.495 1.00 0.00 N ATOM 734 CA GLY A 54 -2.654 -12.812 -3.131 1.00 0.00 C ATOM 735 C GLY A 54 -2.998 -11.410 -3.592 1.00 0.00 C ATOM 736 O GLY A 54 -2.109 -10.613 -3.897 1.00 0.00 O ATOM 0 H GLY A 54 -0.681 -12.426 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.362 -13.518 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.767 -12.873 -2.049 1.00 0.00 H new ATOM 740 N LEU A 55 -4.290 -11.107 -3.647 1.00 0.00 N ATOM 741 CA LEU A 55 -4.750 -9.791 -4.076 1.00 0.00 C ATOM 742 C LEU A 55 -4.139 -8.692 -3.213 1.00 0.00 C ATOM 743 O LEU A 55 -4.510 -8.522 -2.051 1.00 0.00 O ATOM 744 CB LEU A 55 -6.277 -9.717 -4.012 1.00 0.00 C ATOM 745 CG LEU A 55 -6.938 -8.696 -4.938 1.00 0.00 C ATOM 746 CD1 LEU A 55 -6.930 -9.194 -6.375 1.00 0.00 C ATOM 747 CD2 LEU A 55 -8.360 -8.405 -4.481 1.00 0.00 C ATOM 0 H LEU A 55 -5.038 -11.755 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.428 -9.639 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.679 -10.703 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.567 -9.489 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.366 -7.769 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.405 -8.454 -7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.901 -9.351 -6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.478 -10.134 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.816 -7.676 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.943 -9.326 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.342 -8.004 -3.468 1.00 0.00 H new ATOM 759 N LEU A 56 -3.203 -7.947 -3.789 1.00 0.00 N ATOM 760 CA LEU A 56 -2.542 -6.861 -3.073 1.00 0.00 C ATOM 761 C LEU A 56 -3.189 -5.519 -3.401 1.00 0.00 C ATOM 762 O LEU A 56 -3.351 -5.166 -4.568 1.00 0.00 O ATOM 763 CB LEU A 56 -1.054 -6.823 -3.426 1.00 0.00 C ATOM 764 CG LEU A 56 -0.226 -5.741 -2.731 1.00 0.00 C ATOM 765 CD1 LEU A 56 0.251 -6.226 -1.371 1.00 0.00 C ATOM 766 CD2 LEU A 56 0.955 -5.333 -3.598 1.00 0.00 C ATOM 0 H LEU A 56 -2.884 -8.074 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.651 -7.044 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.620 -7.794 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.960 -6.688 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.859 -4.867 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.838 -5.443 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.610 -6.467 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.867 -7.116 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.532 -4.562 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.589 -6.200 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.591 -4.943 -4.549 1.00 0.00 H new ATOM 778 N ALA A 57 -3.554 -4.775 -2.362 1.00 0.00 N ATOM 779 CA ALA A 57 -4.179 -3.470 -2.539 1.00 0.00 C ATOM 780 C ALA A 57 -3.489 -2.411 -1.686 1.00 0.00 C ATOM 781 O ALA A 57 -2.838 -2.728 -0.691 1.00 0.00 O ATOM 782 CB ALA A 57 -5.660 -3.543 -2.198 1.00 0.00 C ATOM 0 H ALA A 57 -3.428 -5.054 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.073 -3.183 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.114 -2.561 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.149 -4.263 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.780 -3.857 -1.161 1.00 0.00 H new ATOM 788 N VAL A 58 -3.636 -1.150 -2.083 1.00 0.00 N ATOM 789 CA VAL A 58 -3.027 -0.044 -1.355 1.00 0.00 C ATOM 790 C VAL A 58 -4.033 1.077 -1.118 1.00 0.00 C ATOM 791 O VAL A 58 -4.282 1.897 -2.001 1.00 0.00 O ATOM 792 CB VAL A 58 -1.811 0.524 -2.110 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.214 1.701 -1.353 1.00 0.00 C ATOM 794 CG2 VAL A 58 -0.769 -0.561 -2.333 1.00 0.00 C ATOM 0 H VAL A 58 -4.172 -0.870 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.696 -0.441 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.144 0.882 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.356 2.089 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.964 2.485 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.894 1.373 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.083 -0.142 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.438 -0.951 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.205 -1.369 -2.921 1.00 0.00 H new ATOM 804 N GLN A 59 -4.607 1.106 0.081 1.00 0.00 N ATOM 805 CA GLN A 59 -5.587 2.126 0.434 1.00 0.00 C ATOM 806 C GLN A 59 -4.958 3.203 1.313 1.00 0.00 C ATOM 807 O GLN A 59 -4.660 2.965 2.483 1.00 0.00 O ATOM 808 CB GLN A 59 -6.778 1.493 1.156 1.00 0.00 C ATOM 809 CG GLN A 59 -7.980 2.416 1.272 1.00 0.00 C ATOM 810 CD GLN A 59 -9.132 1.781 2.025 1.00 0.00 C ATOM 811 OE1 GLN A 59 -9.684 0.767 1.598 1.00 0.00 O ATOM 812 NE2 GLN A 59 -9.502 2.376 3.153 1.00 0.00 N ATOM 0 H GLN A 59 -4.410 0.435 0.824 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.937 2.592 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.075 0.588 0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.466 1.189 2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.681 3.334 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.315 2.698 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.016 3.215 3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.272 1.994 3.702 1.00 0.00 H new ATOM 821 N ILE A 60 -4.760 4.386 0.741 1.00 0.00 N ATOM 822 CA ILE A 60 -4.168 5.498 1.473 1.00 0.00 C ATOM 823 C ILE A 60 -5.202 6.584 1.754 1.00 0.00 C ATOM 824 O ILE A 60 -5.830 7.112 0.836 1.00 0.00 O ATOM 825 CB ILE A 60 -2.988 6.116 0.700 1.00 0.00 C ATOM 826 CG1 ILE A 60 -1.908 5.063 0.447 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.414 7.299 1.466 1.00 0.00 C ATOM 828 CD1 ILE A 60 -0.891 5.477 -0.593 1.00 0.00 C ATOM 0 H ILE A 60 -5.001 4.599 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.802 5.095 2.417 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.352 6.474 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.392 4.851 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.384 4.136 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.581 7.725 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.187 8.056 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.063 6.964 2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.156 4.682 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.395 5.661 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.388 6.387 -0.268 1.00 0.00 H new ATOM 840 N THR A 61 -5.372 6.914 3.030 1.00 0.00 N ATOM 841 CA THR A 61 -6.329 7.938 3.433 1.00 0.00 C ATOM 842 C THR A 61 -5.651 9.034 4.247 1.00 0.00 C ATOM 843 O THR A 61 -4.549 8.846 4.763 1.00 0.00 O ATOM 844 CB THR A 61 -7.479 7.336 4.262 1.00 0.00 C ATOM 845 OG1 THR A 61 -6.956 6.441 5.250 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.460 6.593 3.367 1.00 0.00 C ATOM 0 H THR A 61 -4.860 6.488 3.802 1.00 0.00 H new ATOM 0 HA THR A 61 -6.736 8.368 2.518 1.00 0.00 H new ATOM 0 HB THR A 61 -8.007 8.152 4.755 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.694 6.064 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.263 6.177 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.879 7.283 2.635 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.941 5.786 2.849 1.00 0.00 H new ATOM 854 N ASP A 62 -6.316 10.179 4.358 1.00 0.00 N ATOM 855 CA ASP A 62 -5.778 11.305 5.111 1.00 0.00 C ATOM 856 C ASP A 62 -6.492 11.454 6.451 1.00 0.00 C ATOM 857 O ASP A 62 -7.340 10.636 6.806 1.00 0.00 O ATOM 858 CB ASP A 62 -5.911 12.597 4.302 1.00 0.00 C ATOM 859 CG ASP A 62 -7.269 12.729 3.641 1.00 0.00 C ATOM 860 OD1 ASP A 62 -8.288 12.633 4.356 1.00 0.00 O ATOM 861 OD2 ASP A 62 -7.313 12.927 2.409 1.00 0.00 O ATOM 0 H ASP A 62 -7.228 10.351 3.936 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.722 11.111 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.745 13.452 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.134 12.626 3.538 1.00 0.00 H new ATOM 866 N GLN A 63 -6.140 12.501 7.190 1.00 0.00 N ATOM 867 CA GLN A 63 -6.746 12.755 8.492 1.00 0.00 C ATOM 868 C GLN A 63 -8.268 12.750 8.394 1.00 0.00 C ATOM 869 O GLN A 63 -8.956 12.285 9.302 1.00 0.00 O ATOM 870 CB GLN A 63 -6.263 14.094 9.051 1.00 0.00 C ATOM 871 CG GLN A 63 -6.794 15.298 8.288 1.00 0.00 C ATOM 872 CD GLN A 63 -6.233 15.392 6.883 1.00 0.00 C ATOM 873 OE1 GLN A 63 -6.953 15.204 5.901 1.00 0.00 O ATOM 874 NE2 GLN A 63 -4.942 15.685 6.779 1.00 0.00 N ATOM 0 H GLN A 63 -5.439 13.187 6.910 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.441 11.957 9.168 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.566 14.173 10.095 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.173 14.114 9.033 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.881 15.241 8.238 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.547 16.208 8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.383 15.833 7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.509 15.762 5.859 1.00 0.00 H new ATOM 883 N GLU A 64 -8.787 13.271 7.287 1.00 0.00 N ATOM 884 CA GLU A 64 -10.228 13.327 7.072 1.00 0.00 C ATOM 885 C GLU A 64 -10.763 11.973 6.614 1.00 0.00 C ATOM 886 O GLU A 64 -11.936 11.659 6.811 1.00 0.00 O ATOM 887 CB GLU A 64 -10.570 14.400 6.035 1.00 0.00 C ATOM 888 CG GLU A 64 -12.051 14.475 5.703 1.00 0.00 C ATOM 889 CD GLU A 64 -12.381 15.618 4.763 1.00 0.00 C ATOM 890 OE1 GLU A 64 -11.519 15.965 3.928 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.499 16.165 4.862 1.00 0.00 O ATOM 0 H GLU A 64 -8.231 13.660 6.525 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.701 13.584 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.240 15.370 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.011 14.201 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.366 13.535 5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.621 14.592 6.625 1.00 0.00 H new ATOM 898 N GLY A 65 -9.893 11.176 6.002 1.00 0.00 N ATOM 899 CA GLY A 65 -10.296 9.866 5.525 1.00 0.00 C ATOM 900 C GLY A 65 -10.697 9.879 4.063 1.00 0.00 C ATOM 901 O GLY A 65 -11.565 9.114 3.642 1.00 0.00 O ATOM 0 H GLY A 65 -8.917 11.414 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.475 9.163 5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.132 9.506 6.125 1.00 0.00 H new ATOM 905 N LYS A 66 -10.065 10.752 3.286 1.00 0.00 N ATOM 906 CA LYS A 66 -10.359 10.863 1.862 1.00 0.00 C ATOM 907 C LYS A 66 -9.359 10.062 1.035 1.00 0.00 C ATOM 908 O LYS A 66 -8.221 9.831 1.446 1.00 0.00 O ATOM 909 CB LYS A 66 -10.336 12.330 1.428 1.00 0.00 C ATOM 910 CG LYS A 66 -11.546 13.122 1.895 1.00 0.00 C ATOM 911 CD LYS A 66 -11.637 14.467 1.194 1.00 0.00 C ATOM 912 CE LYS A 66 -13.051 15.024 1.238 1.00 0.00 C ATOM 913 NZ LYS A 66 -13.149 16.345 0.558 1.00 0.00 N ATOM 0 H LYS A 66 -9.345 11.394 3.619 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.355 10.455 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.433 12.801 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.279 12.378 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.453 12.549 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.488 13.276 2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.952 15.172 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.319 14.360 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.734 14.320 0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.369 15.125 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.129 16.690 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.517 17.025 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.870 16.244 -0.439 1.00 0.00 H new ATOM 927 N PRO A 67 -9.789 9.629 -0.159 1.00 0.00 N ATOM 928 CA PRO A 67 -8.945 8.849 -1.069 1.00 0.00 C ATOM 929 C PRO A 67 -7.815 9.680 -1.668 1.00 0.00 C ATOM 930 O PRO A 67 -8.036 10.793 -2.147 1.00 0.00 O ATOM 931 CB PRO A 67 -9.919 8.404 -2.163 1.00 0.00 C ATOM 932 CG PRO A 67 -11.001 9.428 -2.145 1.00 0.00 C ATOM 933 CD PRO A 67 -11.132 9.868 -0.713 1.00 0.00 C ATOM 0 HA PRO A 67 -8.450 8.023 -0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.429 8.362 -3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.313 7.408 -1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.752 10.270 -2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.939 9.011 -2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.416 10.918 -0.639 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.893 9.294 -0.184 1.00 0.00 H new ATOM 941 N LYS A 68 -6.605 9.134 -1.638 1.00 0.00 N ATOM 942 CA LYS A 68 -5.440 9.823 -2.179 1.00 0.00 C ATOM 943 C LYS A 68 -4.875 9.076 -3.382 1.00 0.00 C ATOM 944 O LYS A 68 -4.995 7.854 -3.478 1.00 0.00 O ATOM 945 CB LYS A 68 -4.361 9.967 -1.103 1.00 0.00 C ATOM 946 CG LYS A 68 -4.808 10.778 0.102 1.00 0.00 C ATOM 947 CD LYS A 68 -5.016 12.240 -0.257 1.00 0.00 C ATOM 948 CE LYS A 68 -3.690 12.961 -0.448 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.129 13.441 0.845 1.00 0.00 N ATOM 0 H LYS A 68 -6.405 8.215 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.755 10.814 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.057 8.975 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.482 10.439 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.736 10.364 0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.062 10.699 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.605 12.311 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.588 12.731 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.977 12.289 -0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.830 13.808 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.448 14.206 0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.899 13.797 1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.647 12.656 1.327 1.00 0.00 H new ATOM 963 N ARG A 69 -4.258 9.816 -4.297 1.00 0.00 N ATOM 964 CA ARG A 69 -3.675 9.223 -5.495 1.00 0.00 C ATOM 965 C ARG A 69 -2.350 8.538 -5.172 1.00 0.00 C ATOM 966 O ARG A 69 -1.422 9.167 -4.665 1.00 0.00 O ATOM 967 CB ARG A 69 -3.460 10.292 -6.567 1.00 0.00 C ATOM 968 CG ARG A 69 -2.674 9.799 -7.771 1.00 0.00 C ATOM 969 CD ARG A 69 -2.653 10.833 -8.885 1.00 0.00 C ATOM 970 NE ARG A 69 -3.931 10.906 -9.588 1.00 0.00 N ATOM 971 CZ ARG A 69 -4.325 11.965 -10.287 1.00 0.00 C ATOM 972 NH1 ARG A 69 -3.544 13.032 -10.377 1.00 0.00 N ATOM 973 NH2 ARG A 69 -5.503 11.956 -10.899 1.00 0.00 N ATOM 0 H ARG A 69 -4.149 10.828 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.370 8.474 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.430 10.658 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.936 11.139 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.653 9.567 -7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.115 8.873 -8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.413 11.811 -8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.863 10.586 -9.594 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.555 10.100 -9.540 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.638 13.042 -9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.849 13.844 -10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.106 11.136 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.805 12.769 -11.436 1.00 0.00 H new ATOM 987 N ALA A 70 -2.271 7.245 -5.469 1.00 0.00 N ATOM 988 CA ALA A 70 -1.060 6.475 -5.212 1.00 0.00 C ATOM 989 C ALA A 70 -0.624 5.707 -6.454 1.00 0.00 C ATOM 990 O ALA A 70 -1.453 5.315 -7.276 1.00 0.00 O ATOM 991 CB ALA A 70 -1.280 5.519 -4.048 1.00 0.00 C ATOM 0 H ALA A 70 -3.031 6.709 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.264 7.172 -4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.368 4.950 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.537 6.087 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.093 4.834 -4.288 1.00 0.00 H new ATOM 997 N ILE A 71 0.681 5.495 -6.586 1.00 0.00 N ATOM 998 CA ILE A 71 1.227 4.773 -7.729 1.00 0.00 C ATOM 999 C ILE A 71 1.657 3.365 -7.334 1.00 0.00 C ATOM 1000 O ILE A 71 2.214 3.152 -6.257 1.00 0.00 O ATOM 1001 CB ILE A 71 2.431 5.514 -8.340 1.00 0.00 C ATOM 1002 CG1 ILE A 71 2.023 6.923 -8.776 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.992 4.731 -9.517 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.180 7.897 -8.830 1.00 0.00 C ATOM 0 H ILE A 71 1.380 5.813 -5.915 1.00 0.00 H new ATOM 0 HA ILE A 71 0.433 4.712 -8.473 1.00 0.00 H new ATOM 0 HB ILE A 71 3.209 5.600 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.557 6.870 -9.760 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.269 7.304 -8.087 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.842 5.267 -9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.315 3.747 -9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.221 4.617 -10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.818 8.875 -9.146 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.632 7.980 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.924 7.539 -9.541 1.00 0.00 H new ATOM 1016 N VAL A 72 1.397 2.404 -8.216 1.00 0.00 N ATOM 1017 CA VAL A 72 1.760 1.015 -7.962 1.00 0.00 C ATOM 1018 C VAL A 72 2.783 0.520 -8.977 1.00 0.00 C ATOM 1019 O VAL A 72 2.454 0.279 -10.140 1.00 0.00 O ATOM 1020 CB VAL A 72 0.525 0.095 -8.003 1.00 0.00 C ATOM 1021 CG1 VAL A 72 0.931 -1.355 -7.788 1.00 0.00 C ATOM 1022 CG2 VAL A 72 -0.499 0.531 -6.966 1.00 0.00 C ATOM 0 H VAL A 72 0.936 2.562 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 72 2.197 0.980 -6.964 1.00 0.00 H new ATOM 0 HB VAL A 72 0.066 0.176 -8.989 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.045 -1.989 -7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.624 -1.659 -8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.415 -1.457 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.365 -0.130 -7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.054 0.482 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.813 1.554 -7.173 1.00 0.00 H new ATOM 1032 N HIS A 73 4.026 0.369 -8.531 1.00 0.00 N ATOM 1033 CA HIS A 73 5.099 -0.099 -9.402 1.00 0.00 C ATOM 1034 C HIS A 73 5.212 -1.620 -9.355 1.00 0.00 C ATOM 1035 O HIS A 73 5.024 -2.234 -8.304 1.00 0.00 O ATOM 1036 CB HIS A 73 6.429 0.535 -8.994 1.00 0.00 C ATOM 1037 CG HIS A 73 6.668 1.877 -9.616 1.00 0.00 C ATOM 1038 ND1 HIS A 73 6.586 2.101 -10.974 1.00 0.00 N ATOM 1039 CD2 HIS A 73 6.987 3.067 -9.058 1.00 0.00 C ATOM 1040 CE1 HIS A 73 6.846 3.372 -11.224 1.00 0.00 C ATOM 1041 NE2 HIS A 73 7.092 3.981 -10.078 1.00 0.00 N ATOM 0 H HIS A 73 4.315 0.564 -7.572 1.00 0.00 H new ATOM 0 HA HIS A 73 4.861 0.199 -10.423 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.456 0.636 -7.909 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.242 -0.135 -9.272 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.132 3.262 -8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.856 3.835 -12.200 1.00 0.00 H new ATOM 0 HE2 HIS A 73 7.322 4.969 -9.968 1.00 0.00 H new ATOM 1049 N ASP A 74 5.519 -2.221 -10.499 1.00 0.00 N ATOM 1050 CA ASP A 74 5.658 -3.670 -10.588 1.00 0.00 C ATOM 1051 C ASP A 74 7.118 -4.066 -10.787 1.00 0.00 C ATOM 1052 O ASP A 74 7.745 -3.684 -11.774 1.00 0.00 O ATOM 1053 CB ASP A 74 4.808 -4.215 -11.737 1.00 0.00 C ATOM 1054 CG ASP A 74 3.376 -3.719 -11.684 1.00 0.00 C ATOM 1055 OD1 ASP A 74 3.158 -2.513 -11.921 1.00 0.00 O ATOM 1056 OD2 ASP A 74 2.475 -4.537 -11.405 1.00 0.00 O ATOM 0 H ASP A 74 5.676 -1.727 -11.378 1.00 0.00 H new ATOM 0 HA ASP A 74 5.308 -4.102 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.256 -3.923 -12.687 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.814 -5.304 -11.704 1.00 0.00 H new ATOM 1061 N ASN A 75 7.652 -4.831 -9.842 1.00 0.00 N ATOM 1062 CA ASN A 75 9.039 -5.277 -9.912 1.00 0.00 C ATOM 1063 C ASN A 75 9.121 -6.732 -10.364 1.00 0.00 C ATOM 1064 O ASN A 75 10.101 -7.148 -10.982 1.00 0.00 O ATOM 1065 CB ASN A 75 9.718 -5.115 -8.551 1.00 0.00 C ATOM 1066 CG ASN A 75 9.507 -3.735 -7.960 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.867 -2.726 -8.567 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.921 -3.684 -6.769 1.00 0.00 N ATOM 0 H ASN A 75 7.146 -5.156 -9.018 1.00 0.00 H new ATOM 0 HA ASN A 75 9.557 -4.658 -10.645 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.329 -5.865 -7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.787 -5.302 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.753 -2.783 -6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.639 -4.546 -6.302 1.00 0.00 H new ATOM 1075 N LYS A 76 8.083 -7.502 -10.052 1.00 0.00 N ATOM 1076 CA LYS A 76 8.035 -8.910 -10.427 1.00 0.00 C ATOM 1077 C LYS A 76 9.201 -9.677 -9.811 1.00 0.00 C ATOM 1078 O LYS A 76 9.717 -10.623 -10.406 1.00 0.00 O ATOM 1079 CB LYS A 76 8.063 -9.055 -11.950 1.00 0.00 C ATOM 1080 CG LYS A 76 6.924 -8.335 -12.650 1.00 0.00 C ATOM 1081 CD LYS A 76 7.282 -6.891 -12.959 1.00 0.00 C ATOM 1082 CE LYS A 76 6.567 -6.394 -14.206 1.00 0.00 C ATOM 1083 NZ LYS A 76 5.087 -6.465 -14.063 1.00 0.00 N ATOM 0 H LYS A 76 7.264 -7.174 -9.540 1.00 0.00 H new ATOM 0 HA LYS A 76 7.104 -9.330 -10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.011 -8.670 -12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.025 -10.114 -12.207 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.678 -8.856 -13.575 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.034 -8.363 -12.022 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.017 -6.260 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.360 -6.804 -13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.863 -5.365 -14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.878 -6.990 -15.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.692 -7.046 -14.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.847 -6.893 -13.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.687 -5.506 -14.113 1.00 0.00 H new ATOM 1097 N ASP A 77 9.610 -9.264 -8.617 1.00 0.00 N ATOM 1098 CA ASP A 77 10.713 -9.915 -7.919 1.00 0.00 C ATOM 1099 C ASP A 77 10.293 -10.342 -6.516 1.00 0.00 C ATOM 1100 O ASP A 77 11.117 -10.418 -5.606 1.00 0.00 O ATOM 1101 CB ASP A 77 11.918 -8.976 -7.840 1.00 0.00 C ATOM 1102 CG ASP A 77 13.209 -9.715 -7.545 1.00 0.00 C ATOM 1103 OD1 ASP A 77 13.285 -10.922 -7.854 1.00 0.00 O ATOM 1104 OD2 ASP A 77 14.142 -9.086 -7.003 1.00 0.00 O ATOM 0 H ASP A 77 9.195 -8.481 -8.112 1.00 0.00 H new ATOM 0 HA ASP A 77 10.991 -10.806 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.018 -8.438 -8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.744 -8.231 -7.064 1.00 0.00 H new ATOM 1109 N GLY A 78 9.003 -10.620 -6.349 1.00 0.00 N ATOM 1110 CA GLY A 78 8.495 -11.035 -5.055 1.00 0.00 C ATOM 1111 C GLY A 78 8.220 -9.861 -4.136 1.00 0.00 C ATOM 1112 O GLY A 78 7.888 -10.044 -2.964 1.00 0.00 O ATOM 0 H GLY A 78 8.301 -10.565 -7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.577 -11.606 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.216 -11.702 -4.582 1.00 0.00 H new ATOM 1116 N THR A 79 8.360 -8.650 -4.667 1.00 0.00 N ATOM 1117 CA THR A 79 8.127 -7.442 -3.887 1.00 0.00 C ATOM 1118 C THR A 79 7.191 -6.486 -4.618 1.00 0.00 C ATOM 1119 O THR A 79 6.789 -6.744 -5.753 1.00 0.00 O ATOM 1120 CB THR A 79 9.447 -6.711 -3.575 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.212 -6.548 -4.775 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.264 -7.483 -2.549 1.00 0.00 C ATOM 0 H THR A 79 8.634 -8.481 -5.635 1.00 0.00 H new ATOM 0 HA THR A 79 7.663 -7.755 -2.952 1.00 0.00 H new ATOM 0 HB THR A 79 9.205 -5.732 -3.162 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.049 -6.081 -4.569 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.191 -6.948 -2.345 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.691 -7.581 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.496 -8.474 -2.939 1.00 0.00 H new ATOM 1130 N TYR A 80 6.849 -5.383 -3.962 1.00 0.00 N ATOM 1131 CA TYR A 80 5.959 -4.390 -4.550 1.00 0.00 C ATOM 1132 C TYR A 80 6.248 -3.000 -3.991 1.00 0.00 C ATOM 1133 O TYR A 80 6.400 -2.825 -2.782 1.00 0.00 O ATOM 1134 CB TYR A 80 4.499 -4.764 -4.288 1.00 0.00 C ATOM 1135 CG TYR A 80 4.098 -6.094 -4.884 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.788 -6.207 -6.234 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.028 -7.237 -4.098 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.421 -7.420 -6.784 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.663 -8.455 -4.639 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.360 -8.541 -5.982 1.00 0.00 C ATOM 1141 OH TYR A 80 2.995 -9.752 -6.525 1.00 0.00 O ATOM 0 H TYR A 80 7.175 -5.154 -3.023 1.00 0.00 H new ATOM 0 HA TYR A 80 6.135 -4.373 -5.626 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.327 -4.791 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.855 -3.984 -4.694 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.835 -5.331 -6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.263 -7.173 -3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.183 -7.490 -7.835 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.615 -9.334 -4.014 1.00 0.00 H new ATOM 0 HH TYR A 80 3.003 -10.439 -5.827 1.00 0.00 H new ATOM 1151 N ALA A 81 6.321 -2.015 -4.880 1.00 0.00 N ATOM 1152 CA ALA A 81 6.589 -0.640 -4.477 1.00 0.00 C ATOM 1153 C ALA A 81 5.358 0.238 -4.669 1.00 0.00 C ATOM 1154 O ALA A 81 4.617 0.082 -5.640 1.00 0.00 O ATOM 1155 CB ALA A 81 7.767 -0.080 -5.260 1.00 0.00 C ATOM 0 H ALA A 81 6.198 -2.144 -5.884 1.00 0.00 H new ATOM 0 HA ALA A 81 6.840 -0.641 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.956 0.947 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.653 -0.686 -5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.538 -0.100 -6.326 1.00 0.00 H new ATOM 1161 N VAL A 82 5.144 1.162 -3.737 1.00 0.00 N ATOM 1162 CA VAL A 82 4.002 2.066 -3.805 1.00 0.00 C ATOM 1163 C VAL A 82 4.414 3.497 -3.481 1.00 0.00 C ATOM 1164 O VAL A 82 4.826 3.798 -2.360 1.00 0.00 O ATOM 1165 CB VAL A 82 2.885 1.633 -2.837 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.731 2.622 -2.876 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.406 0.228 -3.171 1.00 0.00 C ATOM 0 H VAL A 82 5.747 1.304 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 82 3.624 2.022 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 82 3.289 1.623 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.952 2.299 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.088 3.610 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.325 2.667 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.617 -0.062 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.019 0.208 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.239 -0.470 -3.086 1.00 0.00 H new ATOM 1177 N THR A 83 4.300 4.379 -4.469 1.00 0.00 N ATOM 1178 CA THR A 83 4.661 5.779 -4.290 1.00 0.00 C ATOM 1179 C THR A 83 3.452 6.610 -3.875 1.00 0.00 C ATOM 1180 O THR A 83 2.355 6.437 -4.408 1.00 0.00 O ATOM 1181 CB THR A 83 5.261 6.374 -5.578 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.288 5.513 -6.083 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.835 7.759 -5.318 1.00 0.00 C ATOM 0 H THR A 83 3.960 4.148 -5.402 1.00 0.00 H new ATOM 0 HA THR A 83 5.411 5.813 -3.499 1.00 0.00 H new ATOM 0 HB THR A 83 4.465 6.461 -6.317 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.663 5.897 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.253 8.159 -6.242 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.044 8.419 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.619 7.692 -4.564 1.00 0.00 H new ATOM 1191 N TYR A 84 3.659 7.513 -2.923 1.00 0.00 N ATOM 1192 CA TYR A 84 2.585 8.370 -2.436 1.00 0.00 C ATOM 1193 C TYR A 84 3.132 9.713 -1.962 1.00 0.00 C ATOM 1194 O TYR A 84 4.113 9.769 -1.221 1.00 0.00 O ATOM 1195 CB TYR A 84 1.832 7.682 -1.296 1.00 0.00 C ATOM 1196 CG TYR A 84 2.441 7.929 0.066 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.193 9.109 0.756 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.263 6.982 0.663 1.00 0.00 C ATOM 1199 CE1 TYR A 84 2.747 9.339 2.000 1.00 0.00 C ATOM 1200 CE2 TYR A 84 3.820 7.202 1.908 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.560 8.383 2.572 1.00 0.00 C ATOM 1202 OH TYR A 84 4.114 8.607 3.812 1.00 0.00 O ATOM 0 H TYR A 84 4.561 7.670 -2.473 1.00 0.00 H new ATOM 0 HA TYR A 84 1.896 8.550 -3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.799 8.030 -1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.806 6.609 -1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.556 9.860 0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.470 6.057 0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.545 10.263 2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.455 6.454 2.359 1.00 0.00 H new ATOM 0 HH TYR A 84 4.659 7.835 4.071 1.00 0.00 H new ATOM 1212 N ILE A 85 2.488 10.792 -2.395 1.00 0.00 N ATOM 1213 CA ILE A 85 2.908 12.135 -2.014 1.00 0.00 C ATOM 1214 C ILE A 85 1.966 12.732 -0.974 1.00 0.00 C ATOM 1215 O ILE A 85 0.802 13.022 -1.249 1.00 0.00 O ATOM 1216 CB ILE A 85 2.968 13.073 -3.234 1.00 0.00 C ATOM 1217 CG1 ILE A 85 4.011 12.576 -4.237 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.284 14.495 -2.794 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.715 12.976 -5.665 1.00 0.00 C ATOM 0 H ILE A 85 1.674 10.762 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 85 3.906 12.044 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 85 1.993 13.072 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.989 12.965 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.071 11.489 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.323 15.146 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.508 14.846 -2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.248 14.513 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.496 12.590 -6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.752 12.564 -5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.684 14.063 -5.739 1.00 0.00 H new ATOM 1231 N PRO A 86 2.480 12.921 0.250 1.00 0.00 N ATOM 1232 CA PRO A 86 1.702 13.487 1.356 1.00 0.00 C ATOM 1233 C PRO A 86 1.393 14.966 1.151 1.00 0.00 C ATOM 1234 O PRO A 86 2.079 15.834 1.691 1.00 0.00 O ATOM 1235 CB PRO A 86 2.618 13.296 2.568 1.00 0.00 C ATOM 1236 CG PRO A 86 3.994 13.246 1.999 1.00 0.00 C ATOM 1237 CD PRO A 86 3.860 12.598 0.649 1.00 0.00 C ATOM 0 HA PRO A 86 0.730 13.005 1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.513 14.117 3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.378 12.378 3.105 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.417 14.247 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.662 12.673 2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.586 12.994 -0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.021 11.521 0.702 1.00 0.00 H new ATOM 1245 N ASP A 87 0.357 15.245 0.367 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.044 16.620 0.092 1.00 0.00 C ATOM 1247 C ASP A 87 -0.506 17.318 1.367 1.00 0.00 C ATOM 1248 O ASP A 87 -0.094 18.441 1.658 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.160 16.648 -0.954 1.00 0.00 C ATOM 1250 CG ASP A 87 -0.922 15.664 -2.082 1.00 0.00 C ATOM 1251 OD1 ASP A 87 0.028 15.876 -2.864 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -1.685 14.681 -2.181 1.00 0.00 O ATOM 0 H ASP A 87 -0.220 14.538 -0.089 1.00 0.00 H new ATOM 0 HA ASP A 87 0.823 17.154 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.111 16.421 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.243 17.654 -1.365 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.366 16.645 2.124 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.886 17.198 3.369 1.00 0.00 C ATOM 1259 C LYS A 88 -0.960 16.874 4.537 1.00 0.00 C ATOM 1260 O LYS A 88 0.003 16.121 4.390 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.288 16.652 3.648 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.304 17.009 2.578 1.00 0.00 C ATOM 1263 CD LYS A 88 -5.696 16.524 2.947 1.00 0.00 C ATOM 1264 CE LYS A 88 -6.774 17.400 2.326 1.00 0.00 C ATOM 1265 NZ LYS A 88 -6.862 17.209 0.851 1.00 0.00 N ATOM 0 H LYS A 88 -1.718 15.715 1.897 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.940 18.281 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.235 15.567 3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.634 17.036 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.320 18.090 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.004 16.567 1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.825 15.495 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.807 16.523 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.737 17.168 2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.562 18.447 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.608 17.823 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.951 17.455 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.089 16.216 0.643 1.00 0.00 H new ATOM 1279 N THR A 89 -1.258 17.446 5.700 1.00 0.00 N ATOM 1280 CA THR A 89 -0.453 17.218 6.893 1.00 0.00 C ATOM 1281 C THR A 89 -1.323 16.789 8.069 1.00 0.00 C ATOM 1282 O THR A 89 -2.324 17.433 8.381 1.00 0.00 O ATOM 1283 CB THR A 89 0.338 18.479 7.287 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.518 19.627 7.248 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.520 18.691 6.353 1.00 0.00 C ATOM 0 H THR A 89 -2.052 18.071 5.840 1.00 0.00 H new ATOM 0 HA THR A 89 0.249 16.419 6.653 1.00 0.00 H new ATOM 0 HB THR A 89 0.716 18.341 8.300 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.392 19.397 7.628 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.063 19.588 6.651 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.185 17.829 6.406 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.160 18.808 5.331 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.934 15.697 8.720 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.690 15.202 9.856 1.00 0.00 C ATOM 1295 C GLY A 90 -1.467 13.722 10.099 1.00 0.00 C ATOM 1296 O GLY A 90 -0.337 13.285 10.315 1.00 0.00 O ATOM 0 H GLY A 90 -0.109 15.146 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.407 15.760 10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.752 15.384 9.689 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.548 12.950 10.066 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.466 11.511 10.288 1.00 0.00 C ATOM 1302 C ARG A 91 -2.794 10.744 9.010 1.00 0.00 C ATOM 1303 O ARG A 91 -3.831 10.971 8.386 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.421 11.090 11.406 1.00 0.00 C ATOM 1305 CG ARG A 91 -4.889 11.197 11.026 1.00 0.00 C ATOM 1306 CD ARG A 91 -5.794 10.814 12.187 1.00 0.00 C ATOM 1307 NE ARG A 91 -5.632 11.713 13.327 1.00 0.00 N ATOM 1308 CZ ARG A 91 -6.562 11.893 14.258 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -7.713 11.239 14.185 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -6.341 12.727 15.266 1.00 0.00 N ATOM 0 H ARG A 91 -3.491 13.296 9.888 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.444 11.273 10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.202 10.061 11.691 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.235 11.710 12.283 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.111 12.217 10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.094 10.548 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.833 10.830 11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.574 9.792 12.497 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.757 12.231 13.413 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.886 10.596 13.413 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.425 11.379 14.901 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.456 13.231 15.327 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.056 12.864 15.980 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.903 9.837 8.626 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.096 9.039 7.421 1.00 0.00 C ATOM 1326 C TYR A 92 -2.335 7.573 7.771 1.00 0.00 C ATOM 1327 O TYR A 92 -1.540 6.954 8.478 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.879 9.163 6.501 1.00 0.00 C ATOM 1329 CG TYR A 92 -0.878 10.424 5.667 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.845 10.636 4.693 1.00 0.00 C ATOM 1331 CD2 TYR A 92 0.092 11.402 5.851 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.848 11.786 3.927 1.00 0.00 C ATOM 1333 CE2 TYR A 92 0.097 12.555 5.091 1.00 0.00 C ATOM 1334 CZ TYR A 92 -0.875 12.743 4.130 1.00 0.00 C ATOM 1335 OH TYR A 92 -0.873 13.890 3.370 1.00 0.00 O ATOM 0 H TYR A 92 -1.040 9.636 9.131 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.976 9.418 6.902 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.028 9.136 7.106 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.845 8.299 5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.608 9.889 4.531 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.855 11.258 6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.608 11.935 3.174 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.858 13.305 5.248 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.172 14.495 3.692 1.00 0.00 H new ATOM 1345 N MET A 93 -3.436 7.024 7.269 1.00 0.00 N ATOM 1346 CA MET A 93 -3.781 5.631 7.526 1.00 0.00 C ATOM 1347 C MET A 93 -3.667 4.799 6.253 1.00 0.00 C ATOM 1348 O MET A 93 -4.187 5.179 5.204 1.00 0.00 O ATOM 1349 CB MET A 93 -5.199 5.529 8.091 1.00 0.00 C ATOM 1350 CG MET A 93 -5.451 4.252 8.876 1.00 0.00 C ATOM 1351 SD MET A 93 -4.261 4.010 10.208 1.00 0.00 S ATOM 1352 CE MET A 93 -4.810 5.247 11.382 1.00 0.00 C ATOM 0 H MET A 93 -4.105 7.523 6.682 1.00 0.00 H new ATOM 0 HA MET A 93 -3.077 5.238 8.260 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.386 6.386 8.738 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.913 5.588 7.270 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.457 4.279 9.294 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.410 3.399 8.198 1.00 0.00 H new ATOM 0 HE1 MET A 93 -4.227 5.162 12.299 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.672 6.240 10.955 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.865 5.092 11.607 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.984 3.663 6.353 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.803 2.778 5.209 1.00 0.00 C ATOM 1364 C ILE A 94 -3.337 1.381 5.505 1.00 0.00 C ATOM 1365 O ILE A 94 -2.819 0.678 6.372 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.321 2.674 4.806 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.765 4.058 4.461 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.157 1.723 3.630 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.742 4.089 4.333 1.00 0.00 C ATOM 0 H ILE A 94 -2.547 3.334 7.214 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.366 3.212 4.383 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.757 2.277 5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.208 4.395 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.071 4.766 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.104 1.660 3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.519 0.733 3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.731 2.093 2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.066 5.100 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.194 3.782 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.054 3.406 3.543 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.377 0.983 4.777 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.962 -0.330 4.976 1.00 0.00 C ATOM 1383 C GLY A 95 -4.491 -1.337 3.946 1.00 0.00 C ATOM 1384 O GLY A 95 -5.089 -1.469 2.878 1.00 0.00 O ATOM 0 H GLY A 95 -4.824 1.546 4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.709 -0.690 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.048 -0.251 4.932 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.415 -2.048 4.265 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.863 -3.048 3.358 1.00 0.00 C ATOM 1390 C VAL A 96 -3.572 -4.388 3.521 1.00 0.00 C ATOM 1391 O VAL A 96 -3.535 -4.997 4.591 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.354 -3.246 3.593 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.803 -4.312 2.657 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.610 -1.932 3.413 1.00 0.00 C ATOM 0 H VAL A 96 -2.908 -1.951 5.145 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.020 -2.678 2.345 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.205 -3.584 4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.265 -4.438 2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.316 -5.256 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.962 -4.006 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.455 -2.091 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.765 -1.562 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.986 -1.200 4.128 1.00 0.00 H new ATOM 1404 N THR A 97 -4.218 -4.843 2.452 1.00 0.00 N ATOM 1405 CA THR A 97 -4.937 -6.111 2.476 1.00 0.00 C ATOM 1406 C THR A 97 -4.307 -7.118 1.520 1.00 0.00 C ATOM 1407 O THR A 97 -3.749 -6.744 0.488 1.00 0.00 O ATOM 1408 CB THR A 97 -6.419 -5.924 2.103 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.526 -5.323 0.807 1.00 0.00 O ATOM 1410 CG2 THR A 97 -7.130 -5.056 3.130 1.00 0.00 C ATOM 0 H THR A 97 -4.258 -4.352 1.559 1.00 0.00 H new ATOM 0 HA THR A 97 -4.872 -6.492 3.495 1.00 0.00 H new ATOM 0 HB THR A 97 -6.894 -6.905 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.472 -5.209 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.176 -4.938 2.845 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.072 -5.530 4.110 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.653 -4.077 3.172 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.400 -8.396 1.869 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.838 -9.457 1.042 1.00 0.00 C ATOM 1420 C TYR A 98 -4.773 -10.661 0.990 1.00 0.00 C ATOM 1421 O TYR A 98 -4.933 -11.380 1.975 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.471 -9.882 1.581 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.525 -10.376 0.510 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.853 -9.485 -0.317 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.302 -11.736 0.326 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.011 -9.932 -1.297 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.438 -12.192 -0.651 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.216 -11.287 -1.460 1.00 0.00 C ATOM 1429 OH TYR A 98 1.077 -11.736 -2.434 1.00 0.00 O ATOM 0 H TYR A 98 -4.859 -8.723 2.719 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.718 -9.069 0.030 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.014 -9.037 2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.611 -10.669 2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.009 -8.424 -0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.813 -12.448 0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.524 -9.225 -1.933 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.276 -13.252 -0.780 1.00 0.00 H new ATOM 0 HH TYR A 98 1.494 -12.573 -2.141 1.00 0.00 H new ATOM 1439 N GLY A 99 -5.389 -10.874 -0.169 1.00 0.00 N ATOM 1440 CA GLY A 99 -6.301 -11.992 -0.330 1.00 0.00 C ATOM 1441 C GLY A 99 -7.608 -11.785 0.409 1.00 0.00 C ATOM 1442 O GLY A 99 -8.106 -12.694 1.072 1.00 0.00 O ATOM 0 H GLY A 99 -5.273 -10.293 -0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.506 -12.140 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.823 -12.902 0.032 1.00 0.00 H new ATOM 1446 N GLY A 100 -8.166 -10.583 0.295 1.00 0.00 N ATOM 1447 CA GLY A 100 -9.418 -10.280 0.964 1.00 0.00 C ATOM 1448 C GLY A 100 -9.309 -10.386 2.473 1.00 0.00 C ATOM 1449 O GLY A 100 -10.283 -10.714 3.150 1.00 0.00 O ATOM 0 H GLY A 100 -7.773 -9.814 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.735 -9.272 0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.190 -10.963 0.610 1.00 0.00 H new ATOM 1453 N ASP A 101 -8.122 -10.109 2.999 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.889 -10.175 4.438 1.00 0.00 C ATOM 1455 C ASP A 101 -6.766 -9.229 4.850 1.00 0.00 C ATOM 1456 O ASP A 101 -5.624 -9.379 4.416 1.00 0.00 O ATOM 1457 CB ASP A 101 -7.546 -11.606 4.855 1.00 0.00 C ATOM 1458 CG ASP A 101 -8.779 -12.427 5.178 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -9.798 -11.831 5.588 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.727 -13.664 5.020 1.00 0.00 O ATOM 0 H ASP A 101 -7.306 -9.837 2.452 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.804 -9.867 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.990 -12.091 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.892 -11.580 5.726 1.00 0.00 H new ATOM 1465 N ASP A 102 -7.099 -8.255 5.690 1.00 0.00 N ATOM 1466 CA ASP A 102 -6.119 -7.284 6.162 1.00 0.00 C ATOM 1467 C ASP A 102 -5.180 -7.913 7.186 1.00 0.00 C ATOM 1468 O ASP A 102 -5.594 -8.749 7.990 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.824 -6.072 6.773 1.00 0.00 C ATOM 1470 CG ASP A 102 -8.197 -5.837 6.175 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -9.065 -6.723 6.318 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -8.403 -4.768 5.563 1.00 0.00 O ATOM 0 H ASP A 102 -8.040 -8.117 6.058 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.527 -6.957 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.920 -6.216 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.209 -5.184 6.623 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.916 -7.505 7.151 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.919 -8.029 8.077 1.00 0.00 C ATOM 1479 C ILE A 103 -3.170 -7.530 9.496 1.00 0.00 C ATOM 1480 O ILE A 103 -3.809 -6.500 9.714 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.493 -7.634 7.651 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.466 -6.186 7.159 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.984 -8.576 6.570 1.00 0.00 C ATOM 1484 CD1 ILE A 103 -0.073 -5.606 7.063 1.00 0.00 C ATOM 0 H ILE A 103 -3.558 -6.814 6.492 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.009 -9.115 8.055 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.835 -7.715 8.517 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.940 -6.135 6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.061 -5.571 7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.025 -8.284 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.971 -9.596 6.953 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.641 -8.523 5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.131 -4.577 6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.397 -5.625 8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.520 -6.198 6.366 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.655 -8.274 10.485 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.808 -7.926 11.901 1.00 0.00 C ATOM 1498 C PRO A 104 -2.005 -6.687 12.283 1.00 0.00 C ATOM 1499 O PRO A 104 -1.953 -6.305 13.453 1.00 0.00 O ATOM 1500 CB PRO A 104 -2.269 -9.159 12.630 1.00 0.00 C ATOM 1501 CG PRO A 104 -1.321 -9.784 11.666 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.883 -9.514 10.298 1.00 0.00 C ATOM 0 HA PRO A 104 -3.841 -7.684 12.152 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.766 -8.883 13.557 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.073 -9.845 12.896 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -0.323 -9.358 11.769 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -1.231 -10.855 11.846 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -1.094 -9.388 9.557 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.515 -10.333 9.954 1.00 0.00 H new ATOM 1510 N LEU A 105 -1.381 -6.063 11.290 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.581 -4.866 11.522 1.00 0.00 C ATOM 1512 C LEU A 105 -1.143 -3.677 10.750 1.00 0.00 C ATOM 1513 O LEU A 105 -0.556 -2.595 10.743 1.00 0.00 O ATOM 1514 CB LEU A 105 0.873 -5.113 11.114 1.00 0.00 C ATOM 1515 CG LEU A 105 1.573 -6.285 11.802 1.00 0.00 C ATOM 1516 CD1 LEU A 105 2.956 -6.504 11.208 1.00 0.00 C ATOM 1517 CD2 LEU A 105 1.668 -6.043 13.302 1.00 0.00 C ATOM 0 H LEU A 105 -1.414 -6.366 10.317 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.619 -4.635 12.586 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.904 -5.279 10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.444 -4.207 11.314 1.00 0.00 H new ATOM 0 HG LEU A 105 0.981 -7.185 11.635 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.439 -7.342 11.710 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.865 -6.722 10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.557 -5.605 11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.169 -6.887 13.776 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.237 -5.132 13.488 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.666 -5.936 13.717 1.00 0.00 H new ATOM 1529 N SER A 106 -2.284 -3.885 10.101 1.00 0.00 N ATOM 1530 CA SER A 106 -2.925 -2.830 9.324 1.00 0.00 C ATOM 1531 C SER A 106 -4.228 -2.386 9.982 1.00 0.00 C ATOM 1532 O SER A 106 -4.883 -3.146 10.695 1.00 0.00 O ATOM 1533 CB SER A 106 -3.199 -3.313 7.898 1.00 0.00 C ATOM 1534 OG SER A 106 -4.009 -4.476 7.901 1.00 0.00 O ATOM 0 H SER A 106 -2.784 -4.774 10.098 1.00 0.00 H new ATOM 0 HA SER A 106 -2.248 -1.977 9.287 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.693 -2.523 7.332 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.256 -3.524 7.394 1.00 0.00 H new ATOM 0 HG SER A 106 -3.848 -4.984 8.723 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.613 -1.125 9.737 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.840 -0.211 8.890 1.00 0.00 C ATOM 1542 C PRO A 107 -2.528 0.212 9.541 1.00 0.00 C ATOM 1543 O PRO A 107 -2.180 -0.260 10.624 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.770 0.994 8.728 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.647 0.960 9.932 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.832 -0.493 10.269 1.00 0.00 C ATOM 0 HA PRO A 107 -3.552 -0.674 7.946 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.206 1.925 8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.354 0.923 7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -5.190 1.498 10.763 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.605 1.439 9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.928 -0.647 11.344 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.731 -0.901 9.807 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.804 1.104 8.875 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.528 1.590 9.388 1.00 0.00 C ATOM 1556 C TYR A 108 -0.605 3.077 9.720 1.00 0.00 C ATOM 1557 O TYR A 108 -1.065 3.882 8.911 1.00 0.00 O ATOM 1558 CB TYR A 108 0.584 1.341 8.367 1.00 0.00 C ATOM 1559 CG TYR A 108 1.348 0.058 8.605 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.918 -1.143 8.054 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.501 0.047 9.380 1.00 0.00 C ATOM 1562 CE1 TYR A 108 1.612 -2.317 8.269 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.203 -1.123 9.599 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.755 -2.302 9.042 1.00 0.00 C ATOM 1565 OH TYR A 108 3.450 -3.469 9.258 1.00 0.00 O ATOM 0 H TYR A 108 -2.079 1.506 7.978 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.301 1.043 10.303 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.149 1.315 7.368 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.281 2.179 8.390 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.025 -1.158 7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.855 0.968 9.819 1.00 0.00 H new ATOM 0 HE1 TYR A 108 1.262 -3.242 7.835 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.098 -1.114 10.203 1.00 0.00 H new ATOM 0 HH TYR A 108 4.230 -3.285 9.822 1.00 0.00 H new ATOM 1575 N ARG A 109 -0.150 3.433 10.917 1.00 0.00 N ATOM 1576 CA ARG A 109 -0.167 4.822 11.358 1.00 0.00 C ATOM 1577 C ARG A 109 1.106 5.545 10.927 1.00 0.00 C ATOM 1578 O ARG A 109 2.212 5.034 11.103 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.316 4.895 12.879 1.00 0.00 C ATOM 1580 CG ARG A 109 0.850 4.281 13.636 1.00 0.00 C ATOM 1581 CD ARG A 109 0.792 4.617 15.118 1.00 0.00 C ATOM 1582 NE ARG A 109 1.900 4.020 15.859 1.00 0.00 N ATOM 1583 CZ ARG A 109 1.883 2.778 16.330 1.00 0.00 C ATOM 1584 NH1 ARG A 109 0.822 2.006 16.138 1.00 0.00 N ATOM 1585 NH2 ARG A 109 2.930 2.305 16.995 1.00 0.00 N ATOM 0 H ARG A 109 0.235 2.779 11.598 1.00 0.00 H new ATOM 0 HA ARG A 109 -1.020 5.314 10.892 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.421 5.939 13.175 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.235 4.387 13.170 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.839 3.199 13.507 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.789 4.643 13.216 1.00 0.00 H new ATOM 0 HD2 ARG A 109 0.812 5.699 15.245 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.153 4.265 15.533 1.00 0.00 H new ATOM 0 HE ARG A 109 2.732 4.587 16.024 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.016 2.365 15.627 1.00 0.00 H new ATOM 0 HH12 ARG A 109 0.812 1.053 16.501 1.00 0.00 H new ATOM 0 HH21 ARG A 109 3.748 2.895 17.145 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.916 1.351 17.356 1.00 0.00 H new ATOM 1599 N ILE A 110 0.940 6.736 10.360 1.00 0.00 N ATOM 1600 CA ILE A 110 2.075 7.529 9.904 1.00 0.00 C ATOM 1601 C ILE A 110 1.742 9.017 9.908 1.00 0.00 C ATOM 1602 O ILE A 110 0.589 9.406 9.723 1.00 0.00 O ATOM 1603 CB ILE A 110 2.517 7.116 8.488 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.451 5.596 8.332 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.923 7.623 8.203 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.842 5.112 6.953 1.00 0.00 C ATOM 0 H ILE A 110 0.031 7.172 10.206 1.00 0.00 H new ATOM 0 HA ILE A 110 2.893 7.341 10.600 1.00 0.00 H new ATOM 0 HB ILE A 110 1.836 7.566 7.765 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.107 5.134 9.070 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.438 5.260 8.552 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.221 7.323 7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.940 8.710 8.277 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.617 7.199 8.929 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.772 4.025 6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.170 5.545 6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.866 5.417 6.737 1.00 0.00 H new ATOM 1618 N ARG A 111 2.761 9.845 10.117 1.00 0.00 N ATOM 1619 CA ARG A 111 2.577 11.291 10.144 1.00 0.00 C ATOM 1620 C ARG A 111 3.763 12.002 9.498 1.00 0.00 C ATOM 1621 O ARG A 111 4.912 11.601 9.679 1.00 0.00 O ATOM 1622 CB ARG A 111 2.399 11.777 11.583 1.00 0.00 C ATOM 1623 CG ARG A 111 3.457 11.251 12.539 1.00 0.00 C ATOM 1624 CD ARG A 111 3.237 11.765 13.953 1.00 0.00 C ATOM 1625 NE ARG A 111 3.690 13.145 14.111 1.00 0.00 N ATOM 1626 CZ ARG A 111 4.952 13.481 14.353 1.00 0.00 C ATOM 1627 NH1 ARG A 111 5.881 12.542 14.465 1.00 0.00 N ATOM 1628 NH2 ARG A 111 5.286 14.758 14.484 1.00 0.00 N ATOM 0 H ARG A 111 3.722 9.539 10.270 1.00 0.00 H new ATOM 0 HA ARG A 111 1.679 11.529 9.574 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.420 12.867 11.595 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.415 11.474 11.941 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.438 10.161 12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.445 11.552 12.191 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.178 11.701 14.201 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.769 11.126 14.658 1.00 0.00 H new ATOM 0 HE ARG A 111 2.999 13.891 14.031 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.627 11.559 14.365 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.850 12.802 14.651 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.573 15.483 14.399 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.255 15.015 14.670 1.00 0.00 H new ATOM 1642 N ALA A 112 3.474 13.058 8.745 1.00 0.00 N ATOM 1643 CA ALA A 112 4.516 13.825 8.074 1.00 0.00 C ATOM 1644 C ALA A 112 5.227 14.756 9.050 1.00 0.00 C ATOM 1645 O ALA A 112 4.604 15.328 9.945 1.00 0.00 O ATOM 1646 CB ALA A 112 3.926 14.619 6.918 1.00 0.00 C ATOM 0 H ALA A 112 2.527 13.402 8.584 1.00 0.00 H new ATOM 0 HA ALA A 112 5.252 13.124 7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.716 15.187 6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.471 13.935 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.168 15.305 7.297 1.00 0.00 H new ATOM 1652 N THR A 113 6.536 14.905 8.872 1.00 0.00 N ATOM 1653 CA THR A 113 7.332 15.766 9.738 1.00 0.00 C ATOM 1654 C THR A 113 7.029 17.237 9.480 1.00 0.00 C ATOM 1655 O THR A 113 6.991 18.044 10.408 1.00 0.00 O ATOM 1656 CB THR A 113 8.840 15.522 9.540 1.00 0.00 C ATOM 1657 OG1 THR A 113 9.206 15.793 8.182 1.00 0.00 O ATOM 1658 CG2 THR A 113 9.208 14.089 9.893 1.00 0.00 C ATOM 0 H THR A 113 7.067 14.440 8.136 1.00 0.00 H new ATOM 0 HA THR A 113 7.063 15.517 10.764 1.00 0.00 H new ATOM 0 HB THR A 113 9.384 16.194 10.204 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.849 15.090 7.600 1.00 0.00 H new ATOM 0 HG21 THR A 113 10.278 13.941 9.745 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.955 13.895 10.935 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.655 13.403 9.252 1.00 0.00 H new ATOM 1666 N GLN A 114 6.813 17.579 8.214 1.00 0.00 N ATOM 1667 CA GLN A 114 6.512 18.954 7.835 1.00 0.00 C ATOM 1668 C GLN A 114 7.626 19.897 8.279 1.00 0.00 C ATOM 1669 O GLN A 114 7.365 21.005 8.750 1.00 0.00 O ATOM 1670 CB GLN A 114 5.181 19.395 8.446 1.00 0.00 C ATOM 1671 CG GLN A 114 4.464 20.463 7.636 1.00 0.00 C ATOM 1672 CD GLN A 114 5.183 21.797 7.662 1.00 0.00 C ATOM 1673 OE1 GLN A 114 4.977 22.609 8.565 1.00 0.00 O ATOM 1674 NE2 GLN A 114 6.034 22.031 6.670 1.00 0.00 N ATOM 0 H GLN A 114 6.841 16.923 7.434 1.00 0.00 H new ATOM 0 HA GLN A 114 6.436 18.996 6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.530 18.526 8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.360 19.773 9.452 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.368 20.127 6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 114 3.454 20.591 8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 114 6.174 21.330 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 114 6.548 22.912 6.636 1.00 0.00 H new ATOM 1683 N THR A 115 8.869 19.450 8.128 1.00 0.00 N ATOM 1684 CA THR A 115 10.022 20.252 8.516 1.00 0.00 C ATOM 1685 C THR A 115 10.467 21.162 7.376 1.00 0.00 C ATOM 1686 O THR A 115 10.174 20.900 6.210 1.00 0.00 O ATOM 1687 CB THR A 115 11.207 19.365 8.941 1.00 0.00 C ATOM 1688 OG1 THR A 115 11.565 18.481 7.873 1.00 0.00 O ATOM 1689 CG2 THR A 115 10.858 18.555 10.181 1.00 0.00 C ATOM 0 H THR A 115 9.103 18.536 7.739 1.00 0.00 H new ATOM 0 HA THR A 115 9.711 20.861 9.365 1.00 0.00 H new ATOM 0 HB THR A 115 12.052 20.013 9.175 1.00 0.00 H new ATOM 0 HG1 THR A 115 12.320 17.922 8.151 1.00 0.00 H new ATOM 0 HG21 THR A 115 11.710 17.936 10.463 1.00 0.00 H new ATOM 0 HG22 THR A 115 10.614 19.231 11.000 1.00 0.00 H new ATOM 0 HG23 THR A 115 10.000 17.917 9.969 1.00 0.00 H new ATOM 1697 N GLY A 116 11.176 22.232 7.721 1.00 0.00 N ATOM 1698 CA GLY A 116 11.651 23.164 6.714 1.00 0.00 C ATOM 1699 C GLY A 116 11.481 24.609 7.137 1.00 0.00 C ATOM 1700 O GLY A 116 10.511 24.957 7.811 1.00 0.00 O ATOM 0 H GLY A 116 11.430 22.471 8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.704 22.969 6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.110 22.995 5.783 1.00 0.00 H new ATOM 1704 N ASP A 117 12.428 25.454 6.743 1.00 0.00 N ATOM 1705 CA ASP A 117 12.379 26.871 7.086 1.00 0.00 C ATOM 1706 C ASP A 117 11.309 27.591 6.271 1.00 0.00 C ATOM 1707 O ASP A 117 11.200 27.395 5.061 1.00 0.00 O ATOM 1708 CB ASP A 117 13.743 27.522 6.848 1.00 0.00 C ATOM 1709 CG ASP A 117 13.739 29.005 7.163 1.00 0.00 C ATOM 1710 OD1 ASP A 117 13.190 29.386 8.217 1.00 0.00 O ATOM 1711 OD2 ASP A 117 14.285 29.785 6.354 1.00 0.00 O ATOM 0 H ASP A 117 13.238 25.183 6.186 1.00 0.00 H new ATOM 0 HA ASP A 117 12.123 26.955 8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.492 27.025 7.464 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.036 27.375 5.809 1.00 0.00 H new ATOM 1716 N ALA A 118 10.522 28.424 6.943 1.00 0.00 N ATOM 1717 CA ALA A 118 9.461 29.173 6.282 1.00 0.00 C ATOM 1718 C ALA A 118 10.014 30.417 5.595 1.00 0.00 C ATOM 1719 O ALA A 118 10.449 31.361 6.255 1.00 0.00 O ATOM 1720 CB ALA A 118 8.382 29.557 7.284 1.00 0.00 C ATOM 0 H ALA A 118 10.599 28.597 7.945 1.00 0.00 H new ATOM 0 HA ALA A 118 9.020 28.533 5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.596 30.116 6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 118 7.958 28.655 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.818 30.175 8.069 1.00 0.00 H new ATOM 1726 N SER A 119 9.996 30.411 4.266 1.00 0.00 N ATOM 1727 CA SER A 119 10.500 31.538 3.489 1.00 0.00 C ATOM 1728 C SER A 119 9.584 32.750 3.632 1.00 0.00 C ATOM 1729 O SER A 119 10.048 33.872 3.828 1.00 0.00 O ATOM 1730 CB SER A 119 10.628 31.152 2.014 1.00 0.00 C ATOM 1731 OG SER A 119 9.366 30.815 1.464 1.00 0.00 O ATOM 0 H SER A 119 9.638 29.638 3.705 1.00 0.00 H new ATOM 0 HA SER A 119 11.485 31.801 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.063 31.980 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.309 30.307 1.914 1.00 0.00 H new ATOM 0 HG SER A 119 9.474 30.574 0.520 1.00 0.00 H new TER 1737 SER A 119