USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 899 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 50 TYR OH : rot 14:sc= 0.609 USER MOD Set 1.2: A 116 SER OG : rot 135:sc= 1.37 USER MOD Set 2.1: A 44 CYS SG : rot 68:sc= -1.32! USER MOD Set 2.2: A 68 ASN : amide:sc= -4.67! C(o=-6!,f=-9.3!) USER MOD Set 3.1: A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 38 LYS NZ :NH3+ 148:sc= -0.951 (180deg=-2.43!) USER MOD Set 4.1: A 25 TYR OH : rot -140:sc= 0.472 USER MOD Set 4.2: A 48 HIS : no HD1:sc= -5.1! C(o=-4.6!,f=-8.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -151:sc= 1.3 USER MOD Single : A 19 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 21 GLN : amide:sc= -0.332 K(o=-0.33,f=-1.2) USER MOD Single : A 22 THR OG1 : rot -46:sc= 1.04 USER MOD Single : A 29 ASN : amide:sc=-0.00348 X(o=-0.0035,f=-0.18) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -109:sc= 1.4 USER MOD Single : A 36 SER OG : rot 90:sc= -0.839 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -2.48! C(o=-2.5!,f=-3.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.754! K(o=-0.75!,f=-2.1) USER MOD Single : A 70 GLN : amide:sc= -4.35! C(o=-4.3!,f=-4.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -161:sc= -0.0446 (180deg=-0.36) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -160:sc= -0.63 (180deg=-1.32) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 25:sc= 0.265 USER MOD Single : A 108 GLN : amide:sc= -6.96! C(o=-7!,f=-18!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.740 -21.018 10.059 1.00 0.00 N ATOM 2 CA GLY A 1 17.404 -21.019 8.647 1.00 0.00 C ATOM 3 C GLY A 1 16.388 -22.086 8.293 1.00 0.00 C ATOM 4 O GLY A 1 16.565 -22.825 7.325 1.00 0.00 O ATOM 0 H1 GLY A 1 18.438 -20.271 10.249 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.882 -20.842 10.620 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.141 -21.941 10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.011 -20.041 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.310 -21.176 8.061 1.00 0.00 H new ATOM 8 N SER A 2 15.320 -22.168 9.080 1.00 0.00 N ATOM 9 CA SER A 2 14.273 -23.157 8.849 1.00 0.00 C ATOM 10 C SER A 2 12.912 -22.483 8.704 1.00 0.00 C ATOM 11 O SER A 2 12.219 -22.241 9.692 1.00 0.00 O ATOM 12 CB SER A 2 14.235 -24.169 9.996 1.00 0.00 C ATOM 13 OG SER A 2 13.789 -25.436 9.543 1.00 0.00 O ATOM 0 H SER A 2 15.157 -21.561 9.884 1.00 0.00 H new ATOM 0 HA SER A 2 14.500 -23.681 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.229 -24.265 10.434 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.573 -23.807 10.783 1.00 0.00 H new ATOM 0 HG SER A 2 13.775 -26.066 10.294 1.00 0.00 H new ATOM 19 N SER A 3 12.536 -22.183 7.465 1.00 0.00 N ATOM 20 CA SER A 3 11.260 -21.533 7.189 1.00 0.00 C ATOM 21 C SER A 3 10.112 -22.535 7.270 1.00 0.00 C ATOM 22 O SER A 3 9.195 -22.382 8.076 1.00 0.00 O ATOM 23 CB SER A 3 11.285 -20.879 5.807 1.00 0.00 C ATOM 24 OG SER A 3 10.098 -20.142 5.570 1.00 0.00 O ATOM 0 H SER A 3 13.097 -22.380 6.636 1.00 0.00 H new ATOM 0 HA SER A 3 11.101 -20.763 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.149 -20.218 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.400 -21.645 5.041 1.00 0.00 H new ATOM 0 HG SER A 3 10.139 -19.732 4.681 1.00 0.00 H new ATOM 30 N GLY A 4 10.171 -23.562 6.427 1.00 0.00 N ATOM 31 CA GLY A 4 9.131 -24.574 6.418 1.00 0.00 C ATOM 32 C GLY A 4 8.667 -24.916 5.016 1.00 0.00 C ATOM 33 O GLY A 4 9.483 -25.102 4.113 1.00 0.00 O ATOM 0 H GLY A 4 10.920 -23.711 5.751 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.502 -25.476 6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.281 -24.222 7.003 1.00 0.00 H new ATOM 37 N SER A 5 7.353 -25.001 4.834 1.00 0.00 N ATOM 38 CA SER A 5 6.782 -25.328 3.533 1.00 0.00 C ATOM 39 C SER A 5 6.735 -24.096 2.634 1.00 0.00 C ATOM 40 O SER A 5 6.782 -22.963 3.113 1.00 0.00 O ATOM 41 CB SER A 5 5.375 -25.905 3.701 1.00 0.00 C ATOM 42 OG SER A 5 4.462 -24.907 4.123 1.00 0.00 O ATOM 0 H SER A 5 6.664 -24.848 5.571 1.00 0.00 H new ATOM 0 HA SER A 5 7.420 -26.075 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.039 -26.334 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.395 -26.715 4.430 1.00 0.00 H new ATOM 0 HG SER A 5 3.570 -25.300 4.221 1.00 0.00 H new ATOM 48 N SER A 6 6.641 -24.327 1.329 1.00 0.00 N ATOM 49 CA SER A 6 6.591 -23.237 0.362 1.00 0.00 C ATOM 50 C SER A 6 5.469 -22.260 0.701 1.00 0.00 C ATOM 51 O SER A 6 4.338 -22.665 0.964 1.00 0.00 O ATOM 52 CB SER A 6 6.393 -23.789 -1.051 1.00 0.00 C ATOM 53 OG SER A 6 7.591 -24.356 -1.551 1.00 0.00 O ATOM 0 H SER A 6 6.598 -25.259 0.917 1.00 0.00 H new ATOM 0 HA SER A 6 7.540 -22.702 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.606 -24.543 -1.043 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.061 -22.990 -1.714 1.00 0.00 H new ATOM 0 HG SER A 6 7.437 -24.703 -2.454 1.00 0.00 H new ATOM 59 N GLY A 7 5.792 -20.971 0.692 1.00 0.00 N ATOM 60 CA GLY A 7 4.802 -19.956 1.000 1.00 0.00 C ATOM 61 C GLY A 7 4.903 -18.751 0.086 1.00 0.00 C ATOM 62 O GLY A 7 4.197 -18.665 -0.920 1.00 0.00 O ATOM 0 H GLY A 7 6.722 -20.611 0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.805 -20.388 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.925 -19.635 2.034 1.00 0.00 H new ATOM 66 N VAL A 8 5.781 -17.816 0.435 1.00 0.00 N ATOM 67 CA VAL A 8 5.971 -16.610 -0.362 1.00 0.00 C ATOM 68 C VAL A 8 6.088 -16.943 -1.845 1.00 0.00 C ATOM 69 O VAL A 8 6.431 -18.066 -2.214 1.00 0.00 O ATOM 70 CB VAL A 8 7.228 -15.837 0.081 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.122 -15.438 1.544 1.00 0.00 C ATOM 72 CG2 VAL A 8 8.478 -16.669 -0.165 1.00 0.00 C ATOM 0 H VAL A 8 6.372 -17.871 1.265 1.00 0.00 H new ATOM 0 HA VAL A 8 5.093 -15.984 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 8 7.302 -14.926 -0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.019 -14.893 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.248 -14.802 1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.023 -16.333 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.357 -16.108 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.415 -17.597 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.559 -16.898 -1.228 1.00 0.00 H new ATOM 82 N ALA A 9 5.802 -15.960 -2.691 1.00 0.00 N ATOM 83 CA ALA A 9 5.878 -16.148 -4.135 1.00 0.00 C ATOM 84 C ALA A 9 6.887 -15.192 -4.761 1.00 0.00 C ATOM 85 O ALA A 9 7.338 -14.243 -4.119 1.00 0.00 O ATOM 86 CB ALA A 9 4.506 -15.957 -4.765 1.00 0.00 C ATOM 0 H ALA A 9 5.515 -15.025 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 9 6.215 -17.167 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.578 -16.100 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.810 -16.684 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.147 -14.949 -4.556 1.00 0.00 H new ATOM 92 N ARG A 10 7.238 -15.448 -6.016 1.00 0.00 N ATOM 93 CA ARG A 10 8.197 -14.611 -6.728 1.00 0.00 C ATOM 94 C ARG A 10 8.060 -13.151 -6.307 1.00 0.00 C ATOM 95 O ARG A 10 6.957 -12.670 -6.047 1.00 0.00 O ATOM 96 CB ARG A 10 7.994 -14.739 -8.239 1.00 0.00 C ATOM 97 CG ARG A 10 8.191 -16.152 -8.762 1.00 0.00 C ATOM 98 CD ARG A 10 9.665 -16.491 -8.913 1.00 0.00 C ATOM 99 NE ARG A 10 10.289 -16.802 -7.630 1.00 0.00 N ATOM 100 CZ ARG A 10 11.577 -17.095 -7.491 1.00 0.00 C ATOM 101 NH1 ARG A 10 12.374 -17.115 -8.550 1.00 0.00 N ATOM 102 NH2 ARG A 10 12.071 -17.367 -6.289 1.00 0.00 N ATOM 0 H ARG A 10 6.873 -16.229 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 10 9.200 -14.952 -6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.988 -14.404 -8.492 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.689 -14.072 -8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.722 -16.862 -8.081 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.692 -16.257 -9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.774 -17.342 -9.585 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.185 -15.651 -9.375 1.00 0.00 H new ATOM 0 HE ARG A 10 9.704 -16.794 -6.795 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.999 -16.905 -9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.363 -17.340 -8.440 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.461 -17.351 -5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.060 -17.592 -6.183 1.00 0.00 H new ATOM 116 N SER A 11 9.189 -12.451 -6.242 1.00 0.00 N ATOM 117 CA SER A 11 9.196 -11.047 -5.849 1.00 0.00 C ATOM 118 C SER A 11 8.961 -10.143 -7.056 1.00 0.00 C ATOM 119 O SER A 11 9.178 -10.546 -8.198 1.00 0.00 O ATOM 120 CB SER A 11 10.525 -10.689 -5.181 1.00 0.00 C ATOM 121 OG SER A 11 10.719 -11.443 -3.997 1.00 0.00 O ATOM 0 H SER A 11 10.110 -12.834 -6.456 1.00 0.00 H new ATOM 0 HA SER A 11 8.386 -10.891 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.346 -10.876 -5.874 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.542 -9.625 -4.945 1.00 0.00 H new ATOM 0 HG SER A 11 11.576 -11.197 -3.590 1.00 0.00 H new ATOM 127 N SER A 12 8.515 -8.919 -6.793 1.00 0.00 N ATOM 128 CA SER A 12 8.247 -7.958 -7.856 1.00 0.00 C ATOM 129 C SER A 12 8.894 -6.612 -7.548 1.00 0.00 C ATOM 130 O SER A 12 8.896 -6.157 -6.404 1.00 0.00 O ATOM 131 CB SER A 12 6.739 -7.781 -8.044 1.00 0.00 C ATOM 132 OG SER A 12 6.213 -8.770 -8.913 1.00 0.00 O ATOM 0 H SER A 12 8.332 -8.569 -5.853 1.00 0.00 H new ATOM 0 HA SER A 12 8.678 -8.345 -8.779 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.240 -7.840 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.534 -6.790 -8.449 1.00 0.00 H new ATOM 0 HG SER A 12 5.248 -8.636 -9.015 1.00 0.00 H new ATOM 138 N LYS A 13 9.443 -5.977 -8.578 1.00 0.00 N ATOM 139 CA LYS A 13 10.093 -4.681 -8.420 1.00 0.00 C ATOM 140 C LYS A 13 9.335 -3.809 -7.425 1.00 0.00 C ATOM 141 O LYS A 13 9.929 -3.220 -6.522 1.00 0.00 O ATOM 142 CB LYS A 13 10.189 -3.968 -9.771 1.00 0.00 C ATOM 143 CG LYS A 13 11.040 -4.706 -10.790 1.00 0.00 C ATOM 144 CD LYS A 13 12.520 -4.430 -10.584 1.00 0.00 C ATOM 145 CE LYS A 13 13.383 -5.428 -11.341 1.00 0.00 C ATOM 146 NZ LYS A 13 13.432 -5.124 -12.798 1.00 0.00 N ATOM 0 H LYS A 13 9.451 -6.339 -9.532 1.00 0.00 H new ATOM 0 HA LYS A 13 11.098 -4.851 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.185 -3.837 -10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.603 -2.972 -9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.854 -5.777 -10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.749 -4.404 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.753 -3.419 -10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.755 -4.476 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.394 -5.417 -10.933 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.990 -6.434 -11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.030 -5.826 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.470 -5.159 -13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.830 -4.174 -12.941 1.00 0.00 H new ATOM 160 N LEU A 14 8.020 -3.733 -7.596 1.00 0.00 N ATOM 161 CA LEU A 14 7.179 -2.933 -6.711 1.00 0.00 C ATOM 162 C LEU A 14 7.176 -3.507 -5.298 1.00 0.00 C ATOM 163 O LEU A 14 7.455 -2.799 -4.328 1.00 0.00 O ATOM 164 CB LEU A 14 5.749 -2.873 -7.252 1.00 0.00 C ATOM 165 CG LEU A 14 4.729 -2.150 -6.371 1.00 0.00 C ATOM 166 CD1 LEU A 14 4.983 -0.651 -6.379 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.312 -2.455 -6.836 1.00 0.00 C ATOM 0 H LEU A 14 7.513 -4.215 -8.338 1.00 0.00 H new ATOM 0 HA LEU A 14 7.590 -1.924 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.770 -2.383 -8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.400 -3.893 -7.415 1.00 0.00 H new ATOM 0 HG LEU A 14 4.841 -2.511 -5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.247 -0.154 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.984 -0.450 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.900 -0.273 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.599 -1.932 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.188 -2.123 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.133 -3.529 -6.777 1.00 0.00 H new ATOM 179 N LEU A 15 6.862 -4.793 -5.187 1.00 0.00 N ATOM 180 CA LEU A 15 6.825 -5.463 -3.892 1.00 0.00 C ATOM 181 C LEU A 15 8.065 -5.126 -3.069 1.00 0.00 C ATOM 182 O LEU A 15 7.963 -4.592 -1.965 1.00 0.00 O ATOM 183 CB LEU A 15 6.722 -6.977 -4.082 1.00 0.00 C ATOM 184 CG LEU A 15 6.908 -7.826 -2.823 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.929 -7.398 -1.741 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.737 -9.303 -3.146 1.00 0.00 C ATOM 0 H LEU A 15 6.629 -5.393 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 15 5.946 -5.110 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.745 -7.204 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.468 -7.283 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 15 7.920 -7.671 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.076 -8.013 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.099 -6.351 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.909 -7.523 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.873 -9.892 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.737 -9.475 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.479 -9.602 -3.887 1.00 0.00 H new ATOM 198 N GLY A 16 9.235 -5.439 -3.616 1.00 0.00 N ATOM 199 CA GLY A 16 10.478 -5.160 -2.920 1.00 0.00 C ATOM 200 C GLY A 16 10.427 -3.860 -2.142 1.00 0.00 C ATOM 201 O GLY A 16 10.638 -3.847 -0.929 1.00 0.00 O ATOM 0 H GLY A 16 9.345 -5.881 -4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.701 -5.980 -2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.293 -5.116 -3.642 1.00 0.00 H new ATOM 205 N TRP A 17 10.148 -2.765 -2.840 1.00 0.00 N ATOM 206 CA TRP A 17 10.073 -1.454 -2.207 1.00 0.00 C ATOM 207 C TRP A 17 9.226 -1.509 -0.940 1.00 0.00 C ATOM 208 O TRP A 17 9.713 -1.228 0.156 1.00 0.00 O ATOM 209 CB TRP A 17 9.490 -0.427 -3.180 1.00 0.00 C ATOM 210 CG TRP A 17 9.646 0.988 -2.713 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.804 1.709 -2.655 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.608 1.853 -2.238 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.549 2.970 -2.172 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.210 3.084 -1.910 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.230 1.708 -2.060 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.479 4.160 -1.413 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.506 2.777 -1.566 1.00 0.00 C ATOM 218 CH2 TRP A 17 7.131 3.990 -1.248 1.00 0.00 C ATOM 0 H TRP A 17 9.970 -2.759 -3.844 1.00 0.00 H new ATOM 0 HA TRP A 17 11.084 -1.152 -1.934 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.977 -0.538 -4.149 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.431 -0.638 -3.329 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.777 1.342 -2.946 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.245 3.703 -2.031 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.739 0.777 -2.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.959 5.096 -1.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.440 2.675 -1.423 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.537 4.807 -0.865 1.00 0.00 H new ATOM 229 N CYS A 18 7.958 -1.873 -1.096 1.00 0.00 N ATOM 230 CA CYS A 18 7.044 -1.964 0.036 1.00 0.00 C ATOM 231 C CYS A 18 7.664 -2.772 1.172 1.00 0.00 C ATOM 232 O CYS A 18 7.627 -2.360 2.331 1.00 0.00 O ATOM 233 CB CYS A 18 5.723 -2.603 -0.398 1.00 0.00 C ATOM 234 SG CYS A 18 4.857 -1.694 -1.699 1.00 0.00 S ATOM 0 H CYS A 18 7.540 -2.110 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 18 6.850 -0.954 0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.919 -3.617 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.069 -2.686 0.470 1.00 0.00 H new ATOM 0 HG CYS A 18 3.577 -1.896 -1.591 1.00 0.00 H new ATOM 240 N GLN A 19 8.231 -3.924 0.830 1.00 0.00 N ATOM 241 CA GLN A 19 8.857 -4.790 1.822 1.00 0.00 C ATOM 242 C GLN A 19 9.925 -4.036 2.608 1.00 0.00 C ATOM 243 O GLN A 19 10.014 -4.160 3.830 1.00 0.00 O ATOM 244 CB GLN A 19 9.476 -6.014 1.144 1.00 0.00 C ATOM 245 CG GLN A 19 8.489 -6.806 0.302 1.00 0.00 C ATOM 246 CD GLN A 19 8.948 -8.229 0.050 1.00 0.00 C ATOM 247 OE1 GLN A 19 10.006 -8.458 -0.537 1.00 0.00 O ATOM 248 NE2 GLN A 19 8.152 -9.195 0.493 1.00 0.00 N ATOM 0 H GLN A 19 8.270 -4.279 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 19 8.085 -5.120 2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.302 -5.690 0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.897 -6.668 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.521 -6.824 0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.344 -6.300 -0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.284 -8.960 0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.408 -10.172 0.352 1.00 0.00 H new ATOM 257 N ARG A 20 10.733 -3.254 1.899 1.00 0.00 N ATOM 258 CA ARG A 20 11.795 -2.481 2.530 1.00 0.00 C ATOM 259 C ARG A 20 11.218 -1.324 3.340 1.00 0.00 C ATOM 260 O ARG A 20 11.702 -1.015 4.429 1.00 0.00 O ATOM 261 CB ARG A 20 12.762 -1.945 1.473 1.00 0.00 C ATOM 262 CG ARG A 20 13.511 -3.035 0.723 1.00 0.00 C ATOM 263 CD ARG A 20 14.682 -2.467 -0.063 1.00 0.00 C ATOM 264 NE ARG A 20 15.700 -3.477 -0.335 1.00 0.00 N ATOM 265 CZ ARG A 20 15.623 -4.348 -1.336 1.00 0.00 C ATOM 266 NH1 ARG A 20 14.580 -4.331 -2.155 1.00 0.00 N ATOM 267 NH2 ARG A 20 16.590 -5.238 -1.519 1.00 0.00 N ATOM 0 H ARG A 20 10.672 -3.139 0.887 1.00 0.00 H new ATOM 0 HA ARG A 20 12.337 -3.141 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.205 -1.340 0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.484 -1.285 1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.874 -3.781 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.829 -3.545 0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.320 -2.054 -1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.128 -1.644 0.495 1.00 0.00 H new ATOM 0 HE ARG A 20 16.515 -3.517 0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.835 -3.648 -2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.523 -5.000 -2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.394 -5.254 -0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.530 -5.906 -2.288 1.00 0.00 H new ATOM 281 N GLN A 21 10.182 -0.689 2.801 1.00 0.00 N ATOM 282 CA GLN A 21 9.541 0.434 3.474 1.00 0.00 C ATOM 283 C GLN A 21 8.688 -0.047 4.643 1.00 0.00 C ATOM 284 O GLN A 21 9.004 0.212 5.805 1.00 0.00 O ATOM 285 CB GLN A 21 8.677 1.221 2.486 1.00 0.00 C ATOM 286 CG GLN A 21 9.460 1.800 1.320 1.00 0.00 C ATOM 287 CD GLN A 21 10.872 2.198 1.704 1.00 0.00 C ATOM 288 OE1 GLN A 21 11.075 3.015 2.603 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.856 1.622 1.024 1.00 0.00 N ATOM 0 H GLN A 21 9.769 -0.933 1.901 1.00 0.00 H new ATOM 0 HA GLN A 21 10.322 1.087 3.863 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.895 0.567 2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.180 2.032 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.500 1.067 0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.934 2.672 0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.642 0.950 0.287 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.826 1.851 1.239 1.00 0.00 H new ATOM 298 N THR A 22 7.603 -0.749 4.329 1.00 0.00 N ATOM 299 CA THR A 22 6.704 -1.265 5.353 1.00 0.00 C ATOM 300 C THR A 22 7.482 -1.886 6.506 1.00 0.00 C ATOM 301 O THR A 22 6.974 -1.999 7.622 1.00 0.00 O ATOM 302 CB THR A 22 5.738 -2.317 4.774 1.00 0.00 C ATOM 303 OG1 THR A 22 6.479 -3.412 4.225 1.00 0.00 O ATOM 304 CG2 THR A 22 4.854 -1.706 3.698 1.00 0.00 C ATOM 0 H THR A 22 7.326 -0.973 3.373 1.00 0.00 H new ATOM 0 HA THR A 22 6.127 -0.417 5.723 1.00 0.00 H new ATOM 0 HB THR A 22 5.102 -2.678 5.582 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.211 -3.067 3.672 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.181 -2.468 3.304 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.270 -0.892 4.126 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.477 -1.320 2.891 1.00 0.00 H new ATOM 312 N ASP A 23 8.719 -2.287 6.231 1.00 0.00 N ATOM 313 CA ASP A 23 9.569 -2.896 7.248 1.00 0.00 C ATOM 314 C ASP A 23 9.654 -2.010 8.487 1.00 0.00 C ATOM 315 O ASP A 23 10.175 -0.897 8.432 1.00 0.00 O ATOM 316 CB ASP A 23 10.970 -3.147 6.688 1.00 0.00 C ATOM 317 CG ASP A 23 11.886 -3.810 7.697 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.375 -4.530 8.579 1.00 0.00 O ATOM 319 OD2 ASP A 23 13.116 -3.609 7.604 1.00 0.00 O ATOM 0 H ASP A 23 9.155 -2.201 5.313 1.00 0.00 H new ATOM 0 HA ASP A 23 9.125 -3.849 7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.896 -3.776 5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.407 -2.200 6.372 1.00 0.00 H new ATOM 324 N GLY A 24 9.138 -2.512 9.604 1.00 0.00 N ATOM 325 CA GLY A 24 9.165 -1.753 10.841 1.00 0.00 C ATOM 326 C GLY A 24 7.817 -1.728 11.535 1.00 0.00 C ATOM 327 O GLY A 24 7.744 -1.679 12.763 1.00 0.00 O ATOM 0 H GLY A 24 8.701 -3.431 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.908 -2.184 11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.481 -0.731 10.630 1.00 0.00 H new ATOM 331 N TYR A 25 6.748 -1.759 10.748 1.00 0.00 N ATOM 332 CA TYR A 25 5.396 -1.734 11.294 1.00 0.00 C ATOM 333 C TYR A 25 5.074 -3.043 12.009 1.00 0.00 C ATOM 334 O TYR A 25 5.860 -3.990 11.979 1.00 0.00 O ATOM 335 CB TYR A 25 4.378 -1.486 10.180 1.00 0.00 C ATOM 336 CG TYR A 25 4.266 -0.033 9.775 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.148 0.523 8.857 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.277 0.783 10.310 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.050 1.849 8.485 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.170 2.111 9.943 1.00 0.00 C ATOM 341 CZ TYR A 25 4.059 2.639 9.030 1.00 0.00 C ATOM 342 OH TYR A 25 3.957 3.961 8.661 1.00 0.00 O ATOM 0 H TYR A 25 6.791 -1.801 9.730 1.00 0.00 H new ATOM 0 HA TYR A 25 5.338 -0.921 12.018 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.655 -2.077 9.307 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.400 -1.840 10.507 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.924 -0.093 8.427 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.580 0.372 11.025 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.745 2.265 7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.395 2.732 10.368 1.00 0.00 H new ATOM 0 HH TYR A 25 3.742 4.505 9.448 1.00 0.00 H new ATOM 352 N ALA A 26 3.912 -3.087 12.653 1.00 0.00 N ATOM 353 CA ALA A 26 3.483 -4.279 13.374 1.00 0.00 C ATOM 354 C ALA A 26 2.223 -4.873 12.754 1.00 0.00 C ATOM 355 O ALA A 26 1.264 -4.158 12.467 1.00 0.00 O ATOM 356 CB ALA A 26 3.248 -3.952 14.841 1.00 0.00 C ATOM 0 H ALA A 26 3.251 -2.311 12.690 1.00 0.00 H new ATOM 0 HA ALA A 26 4.277 -5.023 13.301 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.928 -4.851 15.367 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.173 -3.582 15.284 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.475 -3.188 14.924 1.00 0.00 H new ATOM 362 N GLY A 27 2.233 -6.187 12.548 1.00 0.00 N ATOM 363 CA GLY A 27 1.086 -6.854 11.962 1.00 0.00 C ATOM 364 C GLY A 27 1.023 -6.684 10.457 1.00 0.00 C ATOM 365 O GLY A 27 0.130 -7.221 9.801 1.00 0.00 O ATOM 0 H GLY A 27 3.015 -6.801 12.777 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.125 -7.916 12.203 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.173 -6.459 12.408 1.00 0.00 H new ATOM 369 N VAL A 28 1.972 -5.934 9.907 1.00 0.00 N ATOM 370 CA VAL A 28 2.021 -5.694 8.470 1.00 0.00 C ATOM 371 C VAL A 28 2.881 -6.739 7.767 1.00 0.00 C ATOM 372 O VAL A 28 2.365 -7.632 7.096 1.00 0.00 O ATOM 373 CB VAL A 28 2.575 -4.293 8.153 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.710 -4.098 6.650 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.685 -3.219 8.760 1.00 0.00 C ATOM 0 H VAL A 28 2.718 -5.482 10.435 1.00 0.00 H new ATOM 0 HA VAL A 28 0.997 -5.763 8.103 1.00 0.00 H new ATOM 0 HB VAL A 28 3.567 -4.205 8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.103 -3.102 6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.391 -4.847 6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.732 -4.206 6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.091 -2.235 8.526 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.680 -3.304 8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.646 -3.348 9.842 1.00 0.00 H new ATOM 385 N ASN A 29 4.195 -6.621 7.927 1.00 0.00 N ATOM 386 CA ASN A 29 5.127 -7.556 7.307 1.00 0.00 C ATOM 387 C ASN A 29 4.645 -7.965 5.919 1.00 0.00 C ATOM 388 O ASN A 29 4.501 -9.152 5.625 1.00 0.00 O ATOM 389 CB ASN A 29 5.298 -8.796 8.187 1.00 0.00 C ATOM 390 CG ASN A 29 6.561 -9.568 7.858 1.00 0.00 C ATOM 391 OD1 ASN A 29 7.651 -9.000 7.797 1.00 0.00 O ATOM 392 ND2 ASN A 29 6.419 -10.871 7.645 1.00 0.00 N ATOM 0 H ASN A 29 4.638 -5.888 8.480 1.00 0.00 H new ATOM 0 HA ASN A 29 6.090 -7.056 7.204 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.322 -8.495 9.234 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.434 -9.448 8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.233 -11.443 7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.496 -11.300 7.706 1.00 0.00 H new ATOM 399 N VAL A 30 4.398 -6.974 5.068 1.00 0.00 N ATOM 400 CA VAL A 30 3.934 -7.231 3.710 1.00 0.00 C ATOM 401 C VAL A 30 4.567 -8.496 3.142 1.00 0.00 C ATOM 402 O VAL A 30 5.791 -8.632 3.112 1.00 0.00 O ATOM 403 CB VAL A 30 4.250 -6.048 2.776 1.00 0.00 C ATOM 404 CG1 VAL A 30 4.033 -6.442 1.323 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.403 -4.839 3.142 1.00 0.00 C ATOM 0 H VAL A 30 4.512 -5.986 5.295 1.00 0.00 H new ATOM 0 HA VAL A 30 2.853 -7.363 3.765 1.00 0.00 H new ATOM 0 HB VAL A 30 5.299 -5.779 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.261 -5.594 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.688 -7.276 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.994 -6.739 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.640 -4.013 2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.347 -5.092 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.614 -4.544 4.170 1.00 0.00 H new ATOM 415 N THR A 31 3.726 -9.422 2.692 1.00 0.00 N ATOM 416 CA THR A 31 4.202 -10.678 2.126 1.00 0.00 C ATOM 417 C THR A 31 3.724 -10.849 0.689 1.00 0.00 C ATOM 418 O THR A 31 4.313 -11.604 -0.085 1.00 0.00 O ATOM 419 CB THR A 31 3.731 -11.884 2.959 1.00 0.00 C ATOM 420 OG1 THR A 31 2.301 -11.953 2.956 1.00 0.00 O ATOM 421 CG2 THR A 31 4.236 -11.784 4.391 1.00 0.00 C ATOM 0 H THR A 31 2.711 -9.325 2.709 1.00 0.00 H new ATOM 0 HA THR A 31 5.291 -10.639 2.142 1.00 0.00 H new ATOM 0 HB THR A 31 4.139 -12.789 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.010 -12.724 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.890 -12.647 4.960 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.326 -11.762 4.392 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.854 -10.871 4.849 1.00 0.00 H new ATOM 429 N ASP A 32 2.655 -10.143 0.338 1.00 0.00 N ATOM 430 CA ASP A 32 2.099 -10.216 -1.008 1.00 0.00 C ATOM 431 C ASP A 32 1.475 -8.883 -1.411 1.00 0.00 C ATOM 432 O ASP A 32 1.425 -7.943 -0.617 1.00 0.00 O ATOM 433 CB ASP A 32 1.054 -11.329 -1.092 1.00 0.00 C ATOM 434 CG ASP A 32 0.852 -11.829 -2.509 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.833 -11.832 -3.282 1.00 0.00 O ATOM 436 OD2 ASP A 32 -0.286 -12.216 -2.846 1.00 0.00 O ATOM 0 H ASP A 32 2.156 -9.514 0.967 1.00 0.00 H new ATOM 0 HA ASP A 32 2.912 -10.440 -1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.361 -12.160 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.105 -10.962 -0.701 1.00 0.00 H new ATOM 441 N LEU A 33 1.000 -8.809 -2.649 1.00 0.00 N ATOM 442 CA LEU A 33 0.379 -7.591 -3.159 1.00 0.00 C ATOM 443 C LEU A 33 -1.097 -7.821 -3.468 1.00 0.00 C ATOM 444 O LEU A 33 -1.631 -7.283 -4.439 1.00 0.00 O ATOM 445 CB LEU A 33 1.106 -7.111 -4.416 1.00 0.00 C ATOM 446 CG LEU A 33 2.634 -7.114 -4.349 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.230 -7.022 -5.745 1.00 0.00 C ATOM 448 CD2 LEU A 33 3.132 -5.969 -3.479 1.00 0.00 C ATOM 0 H LEU A 33 1.033 -9.578 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 33 0.455 -6.824 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.798 -7.739 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.774 -6.097 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 33 2.957 -8.053 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.318 -7.025 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.901 -7.875 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.899 -6.099 -6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.221 -5.987 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.798 -5.021 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.734 -6.079 -2.470 1.00 0.00 H new ATOM 460 N THR A 34 -1.754 -8.622 -2.635 1.00 0.00 N ATOM 461 CA THR A 34 -3.168 -8.922 -2.819 1.00 0.00 C ATOM 462 C THR A 34 -3.932 -8.798 -1.505 1.00 0.00 C ATOM 463 O THR A 34 -4.670 -7.836 -1.295 1.00 0.00 O ATOM 464 CB THR A 34 -3.373 -10.340 -3.386 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.558 -11.276 -2.671 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.025 -10.386 -4.866 1.00 0.00 C ATOM 0 H THR A 34 -1.329 -9.075 -1.826 1.00 0.00 H new ATOM 0 HA THR A 34 -3.555 -8.194 -3.532 1.00 0.00 H new ATOM 0 HB THR A 34 -4.423 -10.607 -3.267 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.828 -11.583 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.177 -11.397 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.666 -9.694 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.982 -10.100 -5.004 1.00 0.00 H new ATOM 474 N MET A 35 -3.748 -9.776 -0.625 1.00 0.00 N ATOM 475 CA MET A 35 -4.419 -9.774 0.670 1.00 0.00 C ATOM 476 C MET A 35 -3.684 -8.878 1.662 1.00 0.00 C ATOM 477 O MET A 35 -4.303 -8.100 2.387 1.00 0.00 O ATOM 478 CB MET A 35 -4.513 -11.197 1.223 1.00 0.00 C ATOM 479 CG MET A 35 -4.985 -12.217 0.199 1.00 0.00 C ATOM 480 SD MET A 35 -4.893 -13.910 0.811 1.00 0.00 S ATOM 481 CE MET A 35 -6.334 -13.964 1.874 1.00 0.00 C ATOM 0 H MET A 35 -3.140 -10.580 -0.784 1.00 0.00 H new ATOM 0 HA MET A 35 -5.426 -9.380 0.528 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.535 -11.497 1.599 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.196 -11.204 2.072 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.013 -11.993 -0.084 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.379 -12.127 -0.703 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.414 -14.952 2.328 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.237 -13.212 2.657 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.228 -13.762 1.285 1.00 0.00 H new ATOM 491 N SER A 36 -2.360 -8.994 1.689 1.00 0.00 N ATOM 492 CA SER A 36 -1.541 -8.198 2.595 1.00 0.00 C ATOM 493 C SER A 36 -1.993 -6.741 2.597 1.00 0.00 C ATOM 494 O SER A 36 -1.768 -6.011 3.563 1.00 0.00 O ATOM 495 CB SER A 36 -0.067 -8.285 2.194 1.00 0.00 C ATOM 496 OG SER A 36 0.778 -8.140 3.322 1.00 0.00 O ATOM 0 H SER A 36 -1.832 -9.632 1.094 1.00 0.00 H new ATOM 0 HA SER A 36 -1.661 -8.600 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.126 -9.243 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.161 -7.509 1.463 1.00 0.00 H new ATOM 0 HG SER A 36 0.954 -9.021 3.715 1.00 0.00 H new ATOM 502 N TRP A 37 -2.632 -6.325 1.510 1.00 0.00 N ATOM 503 CA TRP A 37 -3.117 -4.955 1.386 1.00 0.00 C ATOM 504 C TRP A 37 -4.610 -4.876 1.684 1.00 0.00 C ATOM 505 O TRP A 37 -5.088 -3.897 2.257 1.00 0.00 O ATOM 506 CB TRP A 37 -2.835 -4.418 -0.019 1.00 0.00 C ATOM 507 CG TRP A 37 -1.379 -4.416 -0.373 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.612 -5.500 -0.693 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.515 -3.277 -0.443 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.676 -5.103 -0.956 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.762 -3.744 -0.811 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.696 -1.907 -0.232 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.849 -2.889 -0.970 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.384 -1.060 -0.391 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.643 -1.553 -0.757 1.00 0.00 C ATOM 0 H TRP A 37 -2.826 -6.916 0.702 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.588 -4.341 2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.378 -5.022 -0.747 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.222 -3.402 -0.096 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.966 -6.519 -0.733 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.445 -5.721 -1.217 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.663 -1.518 0.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.821 -3.267 -1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.255 0.000 -0.230 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.467 -0.865 -0.873 1.00 0.00 H new ATOM 526 N LYS A 38 -5.342 -5.913 1.291 1.00 0.00 N ATOM 527 CA LYS A 38 -6.782 -5.963 1.517 1.00 0.00 C ATOM 528 C LYS A 38 -7.133 -5.436 2.905 1.00 0.00 C ATOM 529 O LYS A 38 -8.111 -4.708 3.075 1.00 0.00 O ATOM 530 CB LYS A 38 -7.295 -7.396 1.359 1.00 0.00 C ATOM 531 CG LYS A 38 -7.735 -7.731 -0.055 1.00 0.00 C ATOM 532 CD LYS A 38 -8.855 -8.758 -0.062 1.00 0.00 C ATOM 533 CE LYS A 38 -8.329 -10.159 0.207 1.00 0.00 C ATOM 534 NZ LYS A 38 -7.905 -10.330 1.625 1.00 0.00 N ATOM 0 H LYS A 38 -4.962 -6.731 0.814 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.264 -5.328 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.510 -8.089 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.134 -7.550 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.069 -6.823 -0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.885 -8.114 -0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.596 -8.495 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.362 -8.738 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.102 -10.889 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.485 -10.363 -0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.071 -11.313 1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.893 -10.108 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.455 -9.689 2.232 1.00 0.00 H new ATOM 548 N SER A 39 -6.328 -5.809 3.896 1.00 0.00 N ATOM 549 CA SER A 39 -6.556 -5.376 5.269 1.00 0.00 C ATOM 550 C SER A 39 -6.647 -3.855 5.352 1.00 0.00 C ATOM 551 O SER A 39 -7.512 -3.310 6.037 1.00 0.00 O ATOM 552 CB SER A 39 -5.433 -5.880 6.178 1.00 0.00 C ATOM 553 OG SER A 39 -4.162 -5.501 5.678 1.00 0.00 O ATOM 0 H SER A 39 -5.513 -6.410 3.773 1.00 0.00 H new ATOM 0 HA SER A 39 -7.503 -5.798 5.604 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.566 -5.478 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.486 -6.966 6.259 1.00 0.00 H new ATOM 0 HG SER A 39 -3.462 -5.834 6.278 1.00 0.00 H new ATOM 559 N GLY A 40 -5.748 -3.175 4.647 1.00 0.00 N ATOM 560 CA GLY A 40 -5.743 -1.724 4.653 1.00 0.00 C ATOM 561 C GLY A 40 -4.543 -1.151 5.382 1.00 0.00 C ATOM 562 O GLY A 40 -3.965 -0.153 4.951 1.00 0.00 O ATOM 0 H GLY A 40 -5.023 -3.603 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.748 -1.360 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.657 -1.363 5.124 1.00 0.00 H new ATOM 566 N LEU A 41 -4.169 -1.782 6.489 1.00 0.00 N ATOM 567 CA LEU A 41 -3.030 -1.328 7.280 1.00 0.00 C ATOM 568 C LEU A 41 -1.808 -1.103 6.396 1.00 0.00 C ATOM 569 O LEU A 41 -1.280 0.006 6.321 1.00 0.00 O ATOM 570 CB LEU A 41 -2.704 -2.348 8.372 1.00 0.00 C ATOM 571 CG LEU A 41 -3.824 -2.647 9.369 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.474 -3.859 10.218 1.00 0.00 C ATOM 573 CD2 LEU A 41 -4.091 -1.435 10.250 1.00 0.00 C ATOM 0 H LEU A 41 -4.637 -2.609 6.859 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.297 -0.379 7.746 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.413 -3.283 7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.837 -1.991 8.927 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.732 -2.872 8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.283 -4.056 10.921 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.334 -4.727 9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.554 -3.664 10.769 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.891 -1.666 10.953 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.186 -1.179 10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.388 -0.591 9.627 1.00 0.00 H new ATOM 585 N ALA A 42 -1.364 -2.162 5.728 1.00 0.00 N ATOM 586 CA ALA A 42 -0.207 -2.079 4.846 1.00 0.00 C ATOM 587 C ALA A 42 -0.237 -0.798 4.020 1.00 0.00 C ATOM 588 O ALA A 42 0.706 -0.005 4.051 1.00 0.00 O ATOM 589 CB ALA A 42 -0.150 -3.296 3.933 1.00 0.00 C ATOM 0 H ALA A 42 -1.788 -3.088 5.781 1.00 0.00 H new ATOM 0 HA ALA A 42 0.690 -2.060 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.719 -3.220 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.073 -4.200 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.056 -3.340 3.328 1.00 0.00 H new ATOM 595 N LEU A 43 -1.324 -0.599 3.283 1.00 0.00 N ATOM 596 CA LEU A 43 -1.476 0.587 2.448 1.00 0.00 C ATOM 597 C LEU A 43 -1.325 1.859 3.276 1.00 0.00 C ATOM 598 O LEU A 43 -0.684 2.819 2.847 1.00 0.00 O ATOM 599 CB LEU A 43 -2.839 0.575 1.754 1.00 0.00 C ATOM 600 CG LEU A 43 -3.072 1.671 0.714 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.985 1.638 -0.349 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.447 1.519 0.078 1.00 0.00 C ATOM 0 H LEU A 43 -2.113 -1.244 3.247 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.691 0.572 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.969 -0.392 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.613 0.655 2.517 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.031 2.637 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.168 2.425 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.013 1.796 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.994 0.669 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.596 2.307 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.516 0.547 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.214 1.593 0.848 1.00 0.00 H new ATOM 614 N CYS A 44 -1.917 1.858 4.465 1.00 0.00 N ATOM 615 CA CYS A 44 -1.848 3.012 5.355 1.00 0.00 C ATOM 616 C CYS A 44 -0.411 3.272 5.797 1.00 0.00 C ATOM 617 O CYS A 44 0.018 4.420 5.903 1.00 0.00 O ATOM 618 CB CYS A 44 -2.739 2.793 6.578 1.00 0.00 C ATOM 619 SG CYS A 44 -4.485 2.539 6.184 1.00 0.00 S ATOM 0 H CYS A 44 -2.450 1.071 4.835 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.204 3.884 4.807 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.373 1.928 7.131 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.649 3.655 7.239 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.632 1.398 5.578 1.00 0.00 H new ATOM 625 N ALA A 45 0.327 2.197 6.055 1.00 0.00 N ATOM 626 CA ALA A 45 1.715 2.309 6.485 1.00 0.00 C ATOM 627 C ALA A 45 2.569 2.977 5.414 1.00 0.00 C ATOM 628 O ALA A 45 3.613 3.558 5.712 1.00 0.00 O ATOM 629 CB ALA A 45 2.274 0.936 6.828 1.00 0.00 C ATOM 0 H ALA A 45 -0.013 1.239 5.974 1.00 0.00 H new ATOM 0 HA ALA A 45 1.743 2.934 7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.311 1.035 7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.687 0.495 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.225 0.293 5.949 1.00 0.00 H new ATOM 635 N ILE A 46 2.120 2.891 4.166 1.00 0.00 N ATOM 636 CA ILE A 46 2.844 3.489 3.051 1.00 0.00 C ATOM 637 C ILE A 46 2.784 5.011 3.109 1.00 0.00 C ATOM 638 O ILE A 46 3.814 5.681 3.188 1.00 0.00 O ATOM 639 CB ILE A 46 2.283 3.015 1.697 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.389 1.493 1.581 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.022 3.692 0.552 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.806 0.976 1.694 1.00 0.00 C ATOM 0 H ILE A 46 1.258 2.413 3.902 1.00 0.00 H new ATOM 0 HA ILE A 46 3.881 3.166 3.139 1.00 0.00 H new ATOM 0 HB ILE A 46 1.230 3.292 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.780 1.034 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.972 1.180 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.615 3.347 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.900 4.772 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.082 3.442 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.805 -0.110 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.415 1.407 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.220 1.259 2.662 1.00 0.00 H new ATOM 654 N ILE A 47 1.570 5.552 3.072 1.00 0.00 N ATOM 655 CA ILE A 47 1.375 6.995 3.123 1.00 0.00 C ATOM 656 C ILE A 47 1.951 7.582 4.407 1.00 0.00 C ATOM 657 O ILE A 47 2.530 8.670 4.401 1.00 0.00 O ATOM 658 CB ILE A 47 -0.116 7.366 3.026 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.687 6.927 1.676 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.304 8.862 3.226 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.183 6.706 1.695 1.00 0.00 C ATOM 0 H ILE A 47 0.707 5.012 3.007 1.00 0.00 H new ATOM 0 HA ILE A 47 1.901 7.415 2.266 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.657 6.843 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.449 7.683 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.196 6.005 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.363 9.108 3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.069 9.147 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.247 9.404 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.518 6.397 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.427 5.929 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.684 7.633 1.974 1.00 0.00 H new ATOM 673 N HIS A 48 1.791 6.855 5.508 1.00 0.00 N ATOM 674 CA HIS A 48 2.297 7.303 6.800 1.00 0.00 C ATOM 675 C HIS A 48 3.814 7.154 6.871 1.00 0.00 C ATOM 676 O HIS A 48 4.509 8.024 7.395 1.00 0.00 O ATOM 677 CB HIS A 48 1.642 6.509 7.931 1.00 0.00 C ATOM 678 CG HIS A 48 2.193 6.830 9.286 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.523 6.671 9.615 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.587 7.306 10.398 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.710 7.033 10.872 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.550 7.424 11.370 1.00 0.00 N ATOM 0 H HIS A 48 1.315 5.953 5.531 1.00 0.00 H new ATOM 0 HA HIS A 48 2.047 8.358 6.914 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.570 6.706 7.928 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.771 5.444 7.738 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.540 7.548 10.502 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.651 7.013 11.402 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.395 7.759 12.321 1.00 0.00 H new ATOM 691 N ARG A 49 4.320 6.045 6.341 1.00 0.00 N ATOM 692 CA ARG A 49 5.754 5.782 6.346 1.00 0.00 C ATOM 693 C ARG A 49 6.543 7.060 6.077 1.00 0.00 C ATOM 694 O ARG A 49 7.558 7.322 6.721 1.00 0.00 O ATOM 695 CB ARG A 49 6.103 4.724 5.297 1.00 0.00 C ATOM 696 CG ARG A 49 7.584 4.668 4.959 1.00 0.00 C ATOM 697 CD ARG A 49 8.387 4.022 6.077 1.00 0.00 C ATOM 698 NE ARG A 49 9.741 3.679 5.651 1.00 0.00 N ATOM 699 CZ ARG A 49 10.599 3.000 6.405 1.00 0.00 C ATOM 700 NH1 ARG A 49 10.244 2.594 7.616 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.814 2.726 5.947 1.00 0.00 N ATOM 0 H ARG A 49 3.758 5.315 5.903 1.00 0.00 H new ATOM 0 HA ARG A 49 6.026 5.409 7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.784 3.747 5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.538 4.927 4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.727 4.106 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.956 5.677 4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.436 4.702 6.928 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.875 3.122 6.417 1.00 0.00 H new ATOM 0 HE ARG A 49 10.045 3.977 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.311 2.803 7.971 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.904 2.073 8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.090 3.037 5.015 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.472 2.205 6.527 1.00 0.00 H new ATOM 715 N TYR A 50 6.068 7.851 5.121 1.00 0.00 N ATOM 716 CA TYR A 50 6.730 9.101 4.764 1.00 0.00 C ATOM 717 C TYR A 50 6.049 10.289 5.436 1.00 0.00 C ATOM 718 O TYR A 50 6.698 11.092 6.107 1.00 0.00 O ATOM 719 CB TYR A 50 6.727 9.288 3.246 1.00 0.00 C ATOM 720 CG TYR A 50 7.731 8.417 2.526 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.504 7.057 2.356 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.907 8.953 2.017 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.419 6.256 1.699 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.827 8.161 1.358 1.00 0.00 C ATOM 725 CZ TYR A 50 9.578 6.813 1.202 1.00 0.00 C ATOM 726 OH TYR A 50 10.493 6.020 0.547 1.00 0.00 O ATOM 0 H TYR A 50 5.228 7.649 4.580 1.00 0.00 H new ATOM 0 HA TYR A 50 7.761 9.050 5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.730 9.070 2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.935 10.333 3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.597 6.618 2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.106 10.008 2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.227 5.200 1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.736 8.594 0.967 1.00 0.00 H new ATOM 0 HH TYR A 50 10.081 5.159 0.326 1.00 0.00 H new ATOM 736 N ARG A 51 4.737 10.393 5.252 1.00 0.00 N ATOM 737 CA ARG A 51 3.967 11.482 5.839 1.00 0.00 C ATOM 738 C ARG A 51 2.887 10.943 6.772 1.00 0.00 C ATOM 739 O ARG A 51 1.793 10.572 6.346 1.00 0.00 O ATOM 740 CB ARG A 51 3.329 12.334 4.741 1.00 0.00 C ATOM 741 CG ARG A 51 4.331 12.892 3.743 1.00 0.00 C ATOM 742 CD ARG A 51 3.843 14.197 3.134 1.00 0.00 C ATOM 743 NE ARG A 51 4.646 14.597 1.982 1.00 0.00 N ATOM 744 CZ ARG A 51 5.886 15.063 2.076 1.00 0.00 C ATOM 745 NH1 ARG A 51 6.463 15.187 3.264 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.553 15.407 0.981 1.00 0.00 N ATOM 0 H ARG A 51 4.185 9.736 4.701 1.00 0.00 H new ATOM 0 HA ARG A 51 4.649 12.103 6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.594 11.732 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.789 13.161 5.202 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.288 13.056 4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.503 12.162 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.802 14.088 2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.874 14.983 3.888 1.00 0.00 H new ATOM 0 HE ARG A 51 4.232 14.514 1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.954 14.924 4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.416 15.545 3.333 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.113 15.314 0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.505 15.765 1.055 1.00 0.00 H new ATOM 760 N PRO A 52 3.199 10.899 8.076 1.00 0.00 N ATOM 761 CA PRO A 52 2.268 10.407 9.096 1.00 0.00 C ATOM 762 C PRO A 52 1.090 11.351 9.310 1.00 0.00 C ATOM 763 O PRO A 52 0.065 10.963 9.870 1.00 0.00 O ATOM 764 CB PRO A 52 3.131 10.334 10.358 1.00 0.00 C ATOM 765 CG PRO A 52 4.214 11.332 10.134 1.00 0.00 C ATOM 766 CD PRO A 52 4.484 11.325 8.655 1.00 0.00 C ATOM 0 HA PRO A 52 1.820 9.454 8.813 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.550 10.573 11.249 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.538 9.333 10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.907 12.323 10.470 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.110 11.068 10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.780 12.311 8.296 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.289 10.637 8.397 1.00 0.00 H new ATOM 774 N ASP A 53 1.243 12.591 8.860 1.00 0.00 N ATOM 775 CA ASP A 53 0.191 13.591 9.000 1.00 0.00 C ATOM 776 C ASP A 53 -1.007 13.248 8.120 1.00 0.00 C ATOM 777 O ASP A 53 -2.140 13.174 8.596 1.00 0.00 O ATOM 778 CB ASP A 53 0.724 14.978 8.639 1.00 0.00 C ATOM 779 CG ASP A 53 1.356 15.682 9.824 1.00 0.00 C ATOM 780 OD1 ASP A 53 1.944 14.989 10.680 1.00 0.00 O ATOM 781 OD2 ASP A 53 1.263 16.926 9.894 1.00 0.00 O ATOM 0 H ASP A 53 2.086 12.928 8.395 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.135 13.595 10.040 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.460 14.885 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.092 15.588 8.251 1.00 0.00 H new ATOM 786 N LEU A 54 -0.748 13.039 6.833 1.00 0.00 N ATOM 787 CA LEU A 54 -1.804 12.705 5.885 1.00 0.00 C ATOM 788 C LEU A 54 -2.718 11.621 6.448 1.00 0.00 C ATOM 789 O LEU A 54 -3.930 11.813 6.559 1.00 0.00 O ATOM 790 CB LEU A 54 -1.198 12.239 4.560 1.00 0.00 C ATOM 791 CG LEU A 54 -0.116 13.139 3.963 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.326 12.615 2.606 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.618 14.571 3.847 1.00 0.00 C ATOM 0 H LEU A 54 0.184 13.095 6.423 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.399 13.602 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.775 11.245 4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.002 12.139 3.831 1.00 0.00 H new ATOM 0 HG LEU A 54 0.746 13.130 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.096 13.269 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.727 11.608 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.528 12.593 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.165 15.198 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.496 14.598 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.883 14.945 4.836 1.00 0.00 H new ATOM 805 N ILE A 55 -2.130 10.484 6.804 1.00 0.00 N ATOM 806 CA ILE A 55 -2.891 9.371 7.358 1.00 0.00 C ATOM 807 C ILE A 55 -2.395 9.008 8.754 1.00 0.00 C ATOM 808 O ILE A 55 -1.202 9.100 9.044 1.00 0.00 O ATOM 809 CB ILE A 55 -2.807 8.126 6.456 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.690 7.007 7.011 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.365 7.659 6.331 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.236 6.083 5.945 1.00 0.00 C ATOM 0 H ILE A 55 -1.129 10.309 6.719 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.929 9.697 7.416 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.170 8.390 5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.113 6.422 7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.523 7.450 7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.322 6.778 5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.761 8.455 5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.977 7.409 7.318 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.853 5.314 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.840 6.656 5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.409 5.612 5.413 1.00 0.00 H new ATOM 824 N ASP A 56 -3.319 8.594 9.614 1.00 0.00 N ATOM 825 CA ASP A 56 -2.976 8.213 10.980 1.00 0.00 C ATOM 826 C ASP A 56 -3.046 6.700 11.156 1.00 0.00 C ATOM 827 O ASP A 56 -4.118 6.140 11.386 1.00 0.00 O ATOM 828 CB ASP A 56 -3.915 8.899 11.974 1.00 0.00 C ATOM 829 CG ASP A 56 -3.252 9.157 13.312 1.00 0.00 C ATOM 830 OD1 ASP A 56 -2.004 9.153 13.367 1.00 0.00 O ATOM 831 OD2 ASP A 56 -3.980 9.364 14.306 1.00 0.00 O ATOM 0 H ASP A 56 -4.311 8.514 9.390 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.953 8.536 11.175 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.257 9.844 11.553 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.798 8.278 12.123 1.00 0.00 H new ATOM 836 N PHE A 57 -1.896 6.043 11.045 1.00 0.00 N ATOM 837 CA PHE A 57 -1.827 4.593 11.189 1.00 0.00 C ATOM 838 C PHE A 57 -1.953 4.186 12.655 1.00 0.00 C ATOM 839 O PHE A 57 -2.600 3.191 12.981 1.00 0.00 O ATOM 840 CB PHE A 57 -0.513 4.064 10.612 1.00 0.00 C ATOM 841 CG PHE A 57 -0.416 2.565 10.617 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.223 1.874 11.803 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.519 1.847 9.437 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.133 0.495 11.810 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.431 0.467 9.439 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.238 -0.209 10.627 1.00 0.00 C ATOM 0 H PHE A 57 -1.000 6.491 10.856 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.659 4.158 10.636 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.404 4.424 9.589 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.318 4.476 11.185 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.142 2.419 12.732 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.670 2.371 8.505 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.019 -0.032 12.740 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.513 -0.081 8.512 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.169 -1.287 10.631 1.00 0.00 H new ATOM 856 N ASP A 58 -1.328 4.963 13.533 1.00 0.00 N ATOM 857 CA ASP A 58 -1.369 4.685 14.964 1.00 0.00 C ATOM 858 C ASP A 58 -2.807 4.510 15.443 1.00 0.00 C ATOM 859 O ASP A 58 -3.110 3.596 16.210 1.00 0.00 O ATOM 860 CB ASP A 58 -0.692 5.813 15.744 1.00 0.00 C ATOM 861 CG ASP A 58 -0.918 5.699 17.239 1.00 0.00 C ATOM 862 OD1 ASP A 58 -2.062 5.927 17.686 1.00 0.00 O ATOM 863 OD2 ASP A 58 0.049 5.382 17.962 1.00 0.00 O ATOM 0 H ASP A 58 -0.787 5.790 13.279 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.830 3.755 15.144 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.379 5.801 15.539 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.073 6.772 15.394 1.00 0.00 H new ATOM 868 N SER A 59 -3.689 5.393 14.985 1.00 0.00 N ATOM 869 CA SER A 59 -5.094 5.339 15.371 1.00 0.00 C ATOM 870 C SER A 59 -5.795 4.157 14.707 1.00 0.00 C ATOM 871 O SER A 59 -6.513 3.400 15.360 1.00 0.00 O ATOM 872 CB SER A 59 -5.799 6.643 14.991 1.00 0.00 C ATOM 873 OG SER A 59 -7.121 6.675 15.501 1.00 0.00 O ATOM 0 H SER A 59 -3.456 6.154 14.347 1.00 0.00 H new ATOM 0 HA SER A 59 -5.144 5.208 16.452 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.235 7.491 15.379 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.822 6.745 13.906 1.00 0.00 H new ATOM 0 HG SER A 59 -7.550 7.519 15.246 1.00 0.00 H new ATOM 879 N LEU A 60 -5.581 4.006 13.405 1.00 0.00 N ATOM 880 CA LEU A 60 -6.191 2.917 12.651 1.00 0.00 C ATOM 881 C LEU A 60 -5.977 1.580 13.354 1.00 0.00 C ATOM 882 O LEU A 60 -5.105 1.453 14.214 1.00 0.00 O ATOM 883 CB LEU A 60 -5.609 2.860 11.237 1.00 0.00 C ATOM 884 CG LEU A 60 -6.058 3.967 10.282 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.205 3.964 9.023 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.530 3.804 9.932 1.00 0.00 C ATOM 0 H LEU A 60 -4.990 4.624 12.849 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.262 3.107 12.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.522 2.890 11.311 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.871 1.898 10.796 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.928 4.927 10.782 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.539 4.758 8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.161 4.130 9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.302 3.002 8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.833 4.600 9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.685 2.838 9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.128 3.857 10.842 1.00 0.00 H new ATOM 898 N ASP A 61 -6.776 0.587 12.982 1.00 0.00 N ATOM 899 CA ASP A 61 -6.672 -0.741 13.575 1.00 0.00 C ATOM 900 C ASP A 61 -6.937 -1.824 12.533 1.00 0.00 C ATOM 901 O ASP A 61 -7.277 -1.526 11.389 1.00 0.00 O ATOM 902 CB ASP A 61 -7.657 -0.883 14.737 1.00 0.00 C ATOM 903 CG ASP A 61 -7.334 -2.065 15.629 1.00 0.00 C ATOM 904 OD1 ASP A 61 -6.361 -1.974 16.407 1.00 0.00 O ATOM 905 OD2 ASP A 61 -8.054 -3.082 15.549 1.00 0.00 O ATOM 0 H ASP A 61 -7.503 0.676 12.272 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.657 -0.865 13.952 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.647 0.030 15.332 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.667 -0.995 14.342 1.00 0.00 H new ATOM 910 N GLU A 62 -6.776 -3.080 12.939 1.00 0.00 N ATOM 911 CA GLU A 62 -6.996 -4.206 12.039 1.00 0.00 C ATOM 912 C GLU A 62 -8.472 -4.594 12.002 1.00 0.00 C ATOM 913 O GLU A 62 -8.948 -5.170 11.025 1.00 0.00 O ATOM 914 CB GLU A 62 -6.153 -5.406 12.473 1.00 0.00 C ATOM 915 CG GLU A 62 -6.450 -5.881 13.885 1.00 0.00 C ATOM 916 CD GLU A 62 -5.473 -6.936 14.364 1.00 0.00 C ATOM 917 OE1 GLU A 62 -5.603 -8.102 13.936 1.00 0.00 O ATOM 918 OE2 GLU A 62 -4.579 -6.597 15.167 1.00 0.00 O ATOM 0 H GLU A 62 -6.495 -3.343 13.884 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.693 -3.901 11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.323 -6.229 11.779 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.098 -5.142 12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.421 -5.029 14.564 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.462 -6.284 13.923 1.00 0.00 H new ATOM 925 N GLN A 63 -9.188 -4.273 13.075 1.00 0.00 N ATOM 926 CA GLN A 63 -10.609 -4.588 13.166 1.00 0.00 C ATOM 927 C GLN A 63 -11.392 -3.898 12.055 1.00 0.00 C ATOM 928 O GLN A 63 -12.413 -4.407 11.594 1.00 0.00 O ATOM 929 CB GLN A 63 -11.159 -4.169 14.531 1.00 0.00 C ATOM 930 CG GLN A 63 -11.124 -2.668 14.766 1.00 0.00 C ATOM 931 CD GLN A 63 -12.073 -2.226 15.862 1.00 0.00 C ATOM 932 OE1 GLN A 63 -13.280 -2.113 15.646 1.00 0.00 O ATOM 933 NE2 GLN A 63 -11.531 -1.974 17.048 1.00 0.00 N ATOM 0 H GLN A 63 -8.808 -3.796 13.892 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.725 -5.666 13.051 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.187 -4.519 14.622 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.583 -4.664 15.313 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.109 -2.369 15.027 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -11.380 -2.153 13.840 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.526 -2.081 17.182 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.120 -1.674 17.825 1.00 0.00 H new ATOM 942 N ASN A 64 -10.908 -2.736 11.629 1.00 0.00 N ATOM 943 CA ASN A 64 -11.564 -1.975 10.572 1.00 0.00 C ATOM 944 C ASN A 64 -10.871 -2.199 9.231 1.00 0.00 C ATOM 945 O ASN A 64 -10.007 -1.419 8.829 1.00 0.00 O ATOM 946 CB ASN A 64 -11.567 -0.484 10.915 1.00 0.00 C ATOM 947 CG ASN A 64 -11.601 -0.235 12.410 1.00 0.00 C ATOM 948 OD1 ASN A 64 -12.612 -0.481 13.069 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.493 0.256 12.953 1.00 0.00 N ATOM 0 H ASN A 64 -10.063 -2.301 12.000 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.593 -2.324 10.492 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.679 -0.015 10.491 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.431 -0.009 10.451 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.456 0.444 13.955 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.679 0.445 12.368 1.00 0.00 H new ATOM 956 N VAL A 65 -11.257 -3.268 8.542 1.00 0.00 N ATOM 957 CA VAL A 65 -10.675 -3.594 7.246 1.00 0.00 C ATOM 958 C VAL A 65 -11.132 -2.609 6.175 1.00 0.00 C ATOM 959 O VAL A 65 -10.313 -1.976 5.511 1.00 0.00 O ATOM 960 CB VAL A 65 -11.047 -5.022 6.807 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.480 -5.322 5.427 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.555 -6.038 7.827 1.00 0.00 C ATOM 0 H VAL A 65 -11.971 -3.923 8.860 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.593 -3.527 7.359 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.133 -5.095 6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.753 -6.336 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.886 -4.614 4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.394 -5.232 5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.827 -7.042 7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.471 -5.967 7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.014 -5.834 8.794 1.00 0.00 H new ATOM 972 N GLU A 66 -12.446 -2.486 6.015 1.00 0.00 N ATOM 973 CA GLU A 66 -13.012 -1.578 5.024 1.00 0.00 C ATOM 974 C GLU A 66 -12.559 -0.143 5.279 1.00 0.00 C ATOM 975 O GLU A 66 -12.191 0.578 4.352 1.00 0.00 O ATOM 976 CB GLU A 66 -14.540 -1.653 5.045 1.00 0.00 C ATOM 977 CG GLU A 66 -15.212 -0.648 4.125 1.00 0.00 C ATOM 978 CD GLU A 66 -16.717 -0.606 4.306 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.270 -1.550 4.907 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.342 0.373 3.845 1.00 0.00 O ATOM 0 H GLU A 66 -13.138 -3.003 6.558 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.654 -1.885 4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.850 -2.658 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.889 -1.490 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.800 0.343 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.981 -0.898 3.089 1.00 0.00 H new ATOM 987 N LYS A 67 -12.589 0.264 6.543 1.00 0.00 N ATOM 988 CA LYS A 67 -12.181 1.612 6.923 1.00 0.00 C ATOM 989 C LYS A 67 -10.743 1.886 6.495 1.00 0.00 C ATOM 990 O LYS A 67 -10.493 2.713 5.619 1.00 0.00 O ATOM 991 CB LYS A 67 -12.319 1.802 8.435 1.00 0.00 C ATOM 992 CG LYS A 67 -11.892 3.177 8.917 1.00 0.00 C ATOM 993 CD LYS A 67 -12.648 3.589 10.169 1.00 0.00 C ATOM 994 CE LYS A 67 -12.216 4.965 10.654 1.00 0.00 C ATOM 995 NZ LYS A 67 -12.767 6.052 9.798 1.00 0.00 N ATOM 0 H LYS A 67 -12.892 -0.320 7.322 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.835 2.320 6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.357 1.632 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.721 1.046 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.821 3.176 9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.065 3.910 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.718 3.594 9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.478 2.855 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.548 5.109 11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.128 5.023 10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.450 6.974 10.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.430 5.930 8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.806 6.013 9.813 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.801 1.185 7.118 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.388 1.352 6.800 1.00 0.00 C ATOM 1011 C ASN A 68 -8.193 1.621 5.311 1.00 0.00 C ATOM 1012 O ASN A 68 -7.330 2.406 4.919 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.600 0.107 7.212 1.00 0.00 C ATOM 1014 CG ASN A 68 -7.178 0.145 8.668 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.988 0.200 8.979 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -8.154 0.116 9.567 1.00 0.00 N ATOM 0 H ASN A 68 -9.991 0.496 7.846 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.015 2.211 7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.209 -0.780 7.036 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.715 0.016 6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.932 0.139 10.562 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.126 0.070 9.263 1.00 0.00 H new ATOM 1023 N ASN A 69 -9.002 0.965 4.486 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.919 1.133 3.039 1.00 0.00 C ATOM 1025 C ASN A 69 -9.595 2.430 2.603 1.00 0.00 C ATOM 1026 O ASN A 69 -8.954 3.314 2.037 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.567 -0.057 2.329 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.813 -1.351 2.564 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.639 -1.471 2.216 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.488 -2.329 3.159 1.00 0.00 N ATOM 0 H ASN A 69 -9.723 0.312 4.794 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.866 1.182 2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.594 -0.169 2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.614 0.144 1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.033 -3.223 3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.461 -2.185 3.431 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.893 2.534 2.871 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.655 3.722 2.506 1.00 0.00 C ATOM 1039 C GLN A 70 -10.861 4.990 2.802 1.00 0.00 C ATOM 1040 O GLN A 70 -10.808 5.908 1.983 1.00 0.00 O ATOM 1041 CB GLN A 70 -12.986 3.751 3.259 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.719 5.079 3.148 1.00 0.00 C ATOM 1043 CD GLN A 70 -13.434 5.795 1.843 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -13.079 6.974 1.832 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.589 5.084 0.732 1.00 0.00 N ATOM 0 H GLN A 70 -11.438 1.810 3.339 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.853 3.681 1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.628 2.958 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.804 3.533 4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.792 4.906 3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.430 5.720 3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.885 4.109 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.412 5.513 -0.177 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.246 5.035 3.979 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.454 6.192 4.384 1.00 0.00 C ATOM 1056 C LEU A 71 -8.403 6.529 3.331 1.00 0.00 C ATOM 1057 O LEU A 71 -8.478 7.567 2.675 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.777 5.925 5.730 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.057 7.114 6.366 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.031 8.254 6.621 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.375 6.694 7.660 1.00 0.00 C ATOM 0 H LEU A 71 -10.280 4.285 4.669 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.126 7.044 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.532 5.567 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.057 5.118 5.598 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.293 7.465 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.500 9.091 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.473 8.573 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.818 7.916 7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.867 7.553 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.122 6.317 8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.647 5.911 7.450 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.426 5.642 3.174 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.362 5.844 2.197 1.00 0.00 C ATOM 1075 C ALA A 72 -6.930 6.259 0.845 1.00 0.00 C ATOM 1076 O ALA A 72 -6.547 7.289 0.289 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.529 4.578 2.056 1.00 0.00 C ATOM 0 H ALA A 72 -7.349 4.778 3.710 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.721 6.650 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.738 4.742 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.085 4.325 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.166 3.758 1.724 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.845 5.452 0.319 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.465 5.735 -0.970 1.00 0.00 C ATOM 1085 C PHE A 73 -8.873 7.203 -1.067 1.00 0.00 C ATOM 1086 O PHE A 73 -9.021 7.746 -2.162 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.688 4.840 -1.180 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.339 3.413 -1.494 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.357 3.115 -2.426 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.992 2.370 -0.857 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -8.035 1.802 -2.717 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.674 1.056 -1.144 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.693 0.772 -2.074 1.00 0.00 C ATOM 0 H PHE A 73 -8.174 4.596 0.766 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.733 5.527 -1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.306 4.866 -0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.290 5.246 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.838 3.917 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.759 2.586 -0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.270 1.582 -3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.192 0.252 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.441 -0.254 -2.298 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.052 7.837 0.086 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.442 9.242 0.133 1.00 0.00 C ATOM 1105 C ASP A 74 -8.233 10.133 0.396 1.00 0.00 C ATOM 1106 O ASP A 74 -7.938 11.041 -0.382 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.500 9.463 1.215 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.430 10.615 0.888 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.041 11.481 0.077 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.549 10.650 1.442 1.00 0.00 O ATOM 0 H ASP A 74 -8.933 7.401 1.001 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.863 9.510 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.085 8.552 1.339 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.007 9.657 2.167 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.538 9.868 1.497 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.361 10.647 1.863 1.00 0.00 C ATOM 1117 C ILE A 75 -5.382 10.742 0.698 1.00 0.00 C ATOM 1118 O ILE A 75 -4.883 11.821 0.380 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.637 10.036 3.078 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.577 9.981 4.284 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.388 10.840 3.409 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.074 11.340 4.725 1.00 0.00 C ATOM 0 H ILE A 75 -7.769 9.120 2.151 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.712 11.646 2.123 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.335 9.018 2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.433 9.352 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.059 9.505 5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.887 10.396 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.713 10.833 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.668 11.867 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.735 11.225 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.225 11.966 5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.620 11.811 3.907 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.113 9.606 0.063 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.197 9.562 -1.070 1.00 0.00 C ATOM 1136 C ALA A 76 -4.525 10.653 -2.084 1.00 0.00 C ATOM 1137 O ALA A 76 -3.823 11.659 -2.175 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.241 8.193 -1.732 1.00 0.00 C ATOM 0 H ALA A 76 -5.517 8.704 0.314 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.188 9.740 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.552 8.175 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.950 7.430 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.253 7.992 -2.085 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.595 10.444 -2.845 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.014 11.410 -3.854 1.00 0.00 C ATOM 1146 C GLU A 77 -6.132 12.808 -3.253 1.00 0.00 C ATOM 1147 O GLU A 77 -5.656 13.786 -3.829 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.352 10.992 -4.467 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.568 11.521 -5.875 1.00 0.00 C ATOM 1150 CD GLU A 77 -8.251 12.874 -5.893 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -8.134 13.611 -4.892 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -8.904 13.196 -6.908 1.00 0.00 O ATOM 0 H GLU A 77 -6.187 9.616 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.255 11.432 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.410 9.904 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.161 11.345 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.606 11.597 -6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.169 10.808 -6.439 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.771 12.894 -2.091 1.00 0.00 N ATOM 1160 CA LYS A 78 -6.952 14.170 -1.410 1.00 0.00 C ATOM 1161 C LYS A 78 -5.671 14.996 -1.452 1.00 0.00 C ATOM 1162 O LYS A 78 -5.675 16.142 -1.902 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.376 13.941 0.043 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.880 13.842 0.229 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.244 13.514 1.667 1.00 0.00 C ATOM 1166 CE LYS A 78 -10.690 13.873 1.973 1.00 0.00 C ATOM 1167 NZ LYS A 78 -11.072 13.503 3.364 1.00 0.00 N ATOM 0 H LYS A 78 -7.172 12.094 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.736 14.721 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.912 13.025 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.995 14.757 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.346 14.784 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.279 13.073 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.086 12.451 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.583 14.056 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.836 14.943 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.347 13.364 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.064 13.764 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.957 12.478 3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.462 14.008 4.038 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.576 14.407 -0.982 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.288 15.090 -0.967 1.00 0.00 C ATOM 1183 C GLU A 79 -2.394 14.590 -2.098 1.00 0.00 C ATOM 1184 O GLU A 79 -2.046 15.343 -3.009 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.590 14.881 0.379 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.349 15.472 1.555 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.085 16.954 1.735 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -1.908 17.362 1.639 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -4.053 17.706 1.972 1.00 0.00 O ATOM 0 H GLU A 79 -4.555 13.459 -0.607 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.469 16.155 -1.113 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.453 13.813 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.596 15.327 0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.417 15.312 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.068 14.944 2.466 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.026 13.315 -2.034 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.172 12.713 -3.052 1.00 0.00 C ATOM 1198 C LEU A 80 -1.731 12.964 -4.449 1.00 0.00 C ATOM 1199 O LEU A 80 -1.009 13.390 -5.350 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.037 11.209 -2.808 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.593 10.794 -1.405 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.168 9.334 -1.389 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.540 11.686 -0.918 1.00 0.00 C ATOM 0 H LEU A 80 -2.306 12.678 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.187 13.176 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.998 10.740 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.323 10.807 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.439 10.912 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.145 9.057 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.006 8.708 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.663 9.189 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.843 11.376 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.388 11.600 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.201 12.722 -0.890 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.022 12.700 -4.621 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.656 12.905 -5.911 1.00 0.00 C ATOM 1217 C GLY A 81 -3.902 11.605 -6.650 1.00 0.00 C ATOM 1218 O GLY A 81 -4.457 11.604 -7.749 1.00 0.00 O ATOM 0 H GLY A 81 -3.641 12.348 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.604 13.423 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.028 13.553 -6.522 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.489 10.496 -6.046 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.667 9.183 -6.655 1.00 0.00 C ATOM 1224 C ILE A 82 -5.116 8.720 -6.548 1.00 0.00 C ATOM 1225 O ILE A 82 -5.582 8.347 -5.471 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.754 8.130 -6.000 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.296 8.593 -6.038 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.907 6.788 -6.699 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.360 7.707 -5.247 1.00 0.00 C ATOM 0 H ILE A 82 -3.029 10.480 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.396 9.283 -7.706 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.051 8.011 -4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.961 8.628 -7.075 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.236 9.610 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.255 6.054 -6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.942 6.455 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.633 6.891 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.656 8.095 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.670 7.692 -4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.391 6.694 -5.649 1.00 0.00 H new ATOM 1241 N SER A 83 -5.825 8.746 -7.672 1.00 0.00 N ATOM 1242 CA SER A 83 -7.222 8.330 -7.705 1.00 0.00 C ATOM 1243 C SER A 83 -7.353 6.840 -7.406 1.00 0.00 C ATOM 1244 O SER A 83 -6.647 6.003 -7.969 1.00 0.00 O ATOM 1245 CB SER A 83 -7.837 8.644 -9.070 1.00 0.00 C ATOM 1246 OG SER A 83 -7.252 7.850 -10.088 1.00 0.00 O ATOM 0 H SER A 83 -5.455 9.051 -8.572 1.00 0.00 H new ATOM 0 HA SER A 83 -7.759 8.885 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.912 8.466 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.696 9.700 -9.302 1.00 0.00 H new ATOM 0 HG SER A 83 -7.663 8.068 -10.950 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.278 6.499 -6.497 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.525 5.109 -6.101 1.00 0.00 C ATOM 1254 C PRO A 84 -9.178 4.297 -7.214 1.00 0.00 C ATOM 1255 O PRO A 84 -9.974 4.822 -7.993 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.476 5.243 -4.909 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.162 6.549 -5.116 1.00 0.00 C ATOM 1258 CD PRO A 84 -9.155 7.444 -5.785 1.00 0.00 C ATOM 0 HA PRO A 84 -7.600 4.581 -5.869 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.191 4.421 -4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.932 5.227 -3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.050 6.429 -5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.490 6.972 -4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.632 8.144 -6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.600 8.038 -5.059 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.837 3.015 -7.283 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.392 2.131 -8.300 1.00 0.00 C ATOM 1268 C ILE A 85 -10.654 1.438 -7.797 1.00 0.00 C ATOM 1269 O ILE A 85 -11.481 0.983 -8.587 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.372 1.061 -8.734 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.912 0.244 -7.525 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -7.182 1.713 -9.423 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -6.996 -0.905 -7.886 1.00 0.00 C ATOM 0 H ILE A 85 -8.179 2.565 -6.647 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.640 2.755 -9.159 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.853 0.387 -9.443 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.397 0.903 -6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.787 -0.148 -7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.470 0.945 -9.724 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.524 2.256 -10.304 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.698 2.406 -8.735 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.709 -1.440 -6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.515 -1.586 -8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.103 -0.518 -8.377 1.00 0.00 H new ATOM 1285 N MET A 86 -10.796 1.364 -6.478 1.00 0.00 N ATOM 1286 CA MET A 86 -11.960 0.730 -5.870 1.00 0.00 C ATOM 1287 C MET A 86 -12.252 1.331 -4.498 1.00 0.00 C ATOM 1288 O MET A 86 -11.504 2.178 -4.008 1.00 0.00 O ATOM 1289 CB MET A 86 -11.737 -0.778 -5.742 1.00 0.00 C ATOM 1290 CG MET A 86 -10.702 -1.153 -4.694 1.00 0.00 C ATOM 1291 SD MET A 86 -10.538 -2.937 -4.486 1.00 0.00 S ATOM 1292 CE MET A 86 -8.939 -3.220 -5.242 1.00 0.00 C ATOM 0 H MET A 86 -10.120 1.735 -5.810 1.00 0.00 H new ATOM 0 HA MET A 86 -12.819 0.909 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.684 -1.257 -5.493 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.424 -1.174 -6.708 1.00 0.00 H new ATOM 0 HG2 MET A 86 -9.736 -0.734 -4.977 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.978 -0.704 -3.740 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.695 -4.281 -5.192 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.968 -2.904 -6.285 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.179 -2.648 -4.710 1.00 0.00 H new ATOM 1302 N THR A 87 -13.343 0.887 -3.882 1.00 0.00 N ATOM 1303 CA THR A 87 -13.734 1.381 -2.568 1.00 0.00 C ATOM 1304 C THR A 87 -13.379 0.379 -1.476 1.00 0.00 C ATOM 1305 O THR A 87 -13.336 -0.826 -1.716 1.00 0.00 O ATOM 1306 CB THR A 87 -15.244 1.679 -2.506 1.00 0.00 C ATOM 1307 OG1 THR A 87 -15.989 0.475 -2.718 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.635 2.714 -3.550 1.00 0.00 C ATOM 0 H THR A 87 -13.972 0.185 -4.273 1.00 0.00 H new ATOM 0 HA THR A 87 -13.182 2.306 -2.401 1.00 0.00 H new ATOM 0 HB THR A 87 -15.473 2.079 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.948 0.672 -2.675 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.706 2.908 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.087 3.639 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.392 2.338 -4.544 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.127 0.886 -0.273 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.780 0.021 0.839 1.00 0.00 C ATOM 1318 C GLY A 88 -13.714 -1.166 0.964 1.00 0.00 C ATOM 1319 O GLY A 88 -13.280 -2.279 1.261 1.00 0.00 O ATOM 0 H GLY A 88 -13.157 1.881 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.758 -0.337 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.803 0.597 1.764 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.002 -0.929 0.737 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.002 -1.987 0.826 1.00 0.00 C ATOM 1325 C LYS A 89 -15.719 -3.090 -0.189 1.00 0.00 C ATOM 1326 O LYS A 89 -15.606 -4.261 0.170 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.402 -1.414 0.595 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.520 -2.366 0.981 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.789 -1.616 1.351 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.966 -2.563 1.524 1.00 0.00 C ATOM 1331 NZ LYS A 89 -21.324 -3.242 0.247 1.00 0.00 N ATOM 0 H LYS A 89 -15.378 -0.013 0.490 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.952 -2.417 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.507 -0.492 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.508 -1.150 -0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.725 -3.043 0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.201 -2.981 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.628 -1.061 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.020 -0.885 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.722 -3.312 2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.828 -2.008 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.293 -3.615 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.267 -2.560 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.662 -4.025 0.073 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.604 -2.706 -1.457 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.333 -3.664 -2.522 1.00 0.00 C ATOM 1347 C GLU A 90 -14.070 -4.467 -2.224 1.00 0.00 C ATOM 1348 O GLU A 90 -13.870 -5.553 -2.768 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.185 -2.940 -3.863 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.498 -2.423 -4.423 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.390 -3.534 -4.941 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.866 -4.634 -5.218 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -18.611 -3.306 -5.069 1.00 0.00 O ATOM 0 H GLU A 90 -15.694 -1.740 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.176 -4.353 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.497 -2.103 -3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.734 -3.620 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.027 -1.870 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.293 -1.721 -5.231 1.00 0.00 H new ATOM 1360 N MET A 91 -13.223 -3.926 -1.355 1.00 0.00 N ATOM 1361 CA MET A 91 -11.981 -4.593 -0.983 1.00 0.00 C ATOM 1362 C MET A 91 -12.216 -5.590 0.147 1.00 0.00 C ATOM 1363 O MET A 91 -11.460 -6.547 0.310 1.00 0.00 O ATOM 1364 CB MET A 91 -10.931 -3.563 -0.560 1.00 0.00 C ATOM 1365 CG MET A 91 -9.573 -4.172 -0.249 1.00 0.00 C ATOM 1366 SD MET A 91 -8.544 -4.361 -1.717 1.00 0.00 S ATOM 1367 CE MET A 91 -7.254 -3.164 -1.383 1.00 0.00 C ATOM 0 H MET A 91 -13.374 -3.028 -0.895 1.00 0.00 H new ATOM 0 HA MET A 91 -11.616 -5.138 -1.854 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.816 -2.826 -1.355 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.291 -3.030 0.320 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.054 -3.543 0.475 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.715 -5.146 0.219 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.537 -3.163 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.695 -2.172 -1.285 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.744 -3.428 -0.457 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.268 -5.358 0.926 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.603 -6.236 2.039 1.00 0.00 C ATOM 1379 C ALA A 92 -14.551 -7.345 1.597 1.00 0.00 C ATOM 1380 O ALA A 92 -14.527 -8.449 2.141 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.218 -5.435 3.177 1.00 0.00 C ATOM 0 H ALA A 92 -13.903 -4.569 0.806 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.683 -6.700 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.463 -6.104 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.507 -4.683 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.125 -4.943 2.827 1.00 0.00 H new ATOM 1387 N SER A 93 -15.387 -7.044 0.608 1.00 0.00 N ATOM 1388 CA SER A 93 -16.347 -8.014 0.096 1.00 0.00 C ATOM 1389 C SER A 93 -15.660 -9.035 -0.805 1.00 0.00 C ATOM 1390 O SER A 93 -15.845 -10.242 -0.650 1.00 0.00 O ATOM 1391 CB SER A 93 -17.460 -7.303 -0.675 1.00 0.00 C ATOM 1392 OG SER A 93 -18.317 -8.237 -1.310 1.00 0.00 O ATOM 0 H SER A 93 -15.418 -6.135 0.145 1.00 0.00 H new ATOM 0 HA SER A 93 -16.782 -8.540 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.038 -6.679 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.023 -6.639 -1.421 1.00 0.00 H new ATOM 0 HG SER A 93 -19.021 -7.758 -1.795 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.864 -8.541 -1.749 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.147 -9.409 -2.676 1.00 0.00 C ATOM 1400 C VAL A 94 -13.265 -10.402 -1.928 1.00 0.00 C ATOM 1401 O VAL A 94 -12.717 -10.090 -0.872 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.274 -8.593 -3.647 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -11.969 -8.187 -2.979 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -13.008 -9.385 -4.918 1.00 0.00 C ATOM 0 H VAL A 94 -14.700 -7.544 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.899 -9.954 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.813 -7.685 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.365 -7.611 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.184 -7.579 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.422 -9.080 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.390 -8.793 -5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.489 -10.310 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.954 -9.620 -5.405 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.131 -11.602 -2.485 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.314 -12.624 -1.857 1.00 0.00 C ATOM 1416 C GLY A 95 -10.830 -12.349 -2.001 1.00 0.00 C ATOM 1417 O GLY A 95 -10.040 -12.700 -1.126 1.00 0.00 O ATOM 0 H GLY A 95 -13.573 -11.884 -3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.568 -12.688 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.546 -13.593 -2.300 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.451 -11.721 -3.110 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.052 -11.401 -3.366 1.00 0.00 C ATOM 1423 C GLU A 96 -8.911 -10.528 -4.609 1.00 0.00 C ATOM 1424 O GLU A 96 -9.510 -10.790 -5.653 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.236 -12.684 -3.535 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.737 -12.475 -3.403 1.00 0.00 C ATOM 1427 CD GLU A 96 -5.953 -13.766 -3.533 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.140 -14.662 -2.684 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.152 -13.880 -4.485 1.00 0.00 O ATOM 0 H GLU A 96 -11.093 -11.424 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.670 -10.846 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.560 -13.411 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.449 -13.114 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.403 -11.773 -4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.521 -12.019 -2.437 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.102 -9.464 -4.496 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.863 -8.531 -5.601 1.00 0.00 C ATOM 1438 C PRO A 97 -7.044 -9.158 -6.724 1.00 0.00 C ATOM 1439 O PRO A 97 -6.559 -10.282 -6.597 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.082 -7.392 -4.940 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.418 -8.021 -3.764 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.357 -9.092 -3.282 1.00 0.00 C ATOM 0 HA PRO A 97 -8.792 -8.212 -6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.351 -6.964 -5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.745 -6.583 -4.634 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.453 -8.444 -4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.231 -7.285 -2.982 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.817 -9.942 -2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.021 -8.722 -2.501 1.00 0.00 H new ATOM 1450 N ASP A 98 -6.895 -8.424 -7.821 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.133 -8.909 -8.966 1.00 0.00 C ATOM 1452 C ASP A 98 -4.679 -8.454 -8.883 1.00 0.00 C ATOM 1453 O ASP A 98 -4.383 -7.263 -8.982 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.761 -8.414 -10.270 1.00 0.00 C ATOM 1455 CG ASP A 98 -5.993 -8.874 -11.494 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -4.800 -9.215 -11.352 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -6.585 -8.892 -12.594 1.00 0.00 O ATOM 0 H ASP A 98 -7.291 -7.492 -7.942 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.156 -9.999 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.789 -8.772 -10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.803 -7.325 -10.259 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.775 -9.410 -8.700 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.351 -9.110 -8.603 1.00 0.00 C ATOM 1464 C LYS A 99 -1.970 -7.972 -9.545 1.00 0.00 C ATOM 1465 O LYS A 99 -1.317 -7.010 -9.140 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.523 -10.355 -8.928 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.069 -10.246 -8.503 1.00 0.00 C ATOM 1468 CD LYS A 99 0.790 -9.645 -9.603 1.00 0.00 C ATOM 1469 CE LYS A 99 1.291 -10.712 -10.565 1.00 0.00 C ATOM 1470 NZ LYS A 99 1.877 -10.116 -11.797 1.00 0.00 N ATOM 0 H LYS A 99 -4.003 -10.401 -8.616 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.139 -8.798 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.973 -11.218 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.566 -10.540 -10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.004 -9.631 -7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.310 -11.234 -8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.212 -8.901 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.640 -9.125 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.041 -11.327 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.467 -11.372 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.207 -10.875 -12.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.155 -9.550 -12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.679 -9.506 -11.540 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.383 -8.088 -10.802 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.087 -7.068 -11.802 1.00 0.00 C ATOM 1486 C LEU A 100 -2.602 -5.703 -11.358 1.00 0.00 C ATOM 1487 O LEU A 100 -1.821 -4.801 -11.058 1.00 0.00 O ATOM 1488 CB LEU A 100 -2.709 -7.448 -13.147 1.00 0.00 C ATOM 1489 CG LEU A 100 -1.894 -8.405 -14.017 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -2.719 -8.884 -15.202 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -0.614 -7.735 -14.493 1.00 0.00 C ATOM 0 H LEU A 100 -2.924 -8.878 -11.153 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.004 -7.008 -11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.683 -7.900 -12.959 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.885 -6.534 -13.714 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.624 -9.272 -13.414 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.122 -9.564 -15.810 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.607 -9.404 -14.841 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.020 -8.028 -15.805 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.047 -8.431 -15.111 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.863 -6.850 -15.079 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.014 -7.443 -13.631 1.00 0.00 H new ATOM 1503 N SER A 101 -3.923 -5.560 -11.316 1.00 0.00 N ATOM 1504 CA SER A 101 -4.544 -4.305 -10.909 1.00 0.00 C ATOM 1505 C SER A 101 -3.838 -3.720 -9.689 1.00 0.00 C ATOM 1506 O SER A 101 -3.434 -2.558 -9.690 1.00 0.00 O ATOM 1507 CB SER A 101 -6.026 -4.521 -10.600 1.00 0.00 C ATOM 1508 OG SER A 101 -6.762 -4.778 -11.784 1.00 0.00 O ATOM 0 H SER A 101 -4.584 -6.298 -11.559 1.00 0.00 H new ATOM 0 HA SER A 101 -4.452 -3.599 -11.734 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.139 -5.357 -9.909 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.429 -3.639 -10.102 1.00 0.00 H new ATOM 0 HG SER A 101 -7.706 -4.914 -11.559 1.00 0.00 H new ATOM 1514 N MET A 102 -3.695 -4.536 -8.649 1.00 0.00 N ATOM 1515 CA MET A 102 -3.037 -4.101 -7.423 1.00 0.00 C ATOM 1516 C MET A 102 -1.652 -3.535 -7.719 1.00 0.00 C ATOM 1517 O MET A 102 -1.398 -2.348 -7.512 1.00 0.00 O ATOM 1518 CB MET A 102 -2.924 -5.266 -6.438 1.00 0.00 C ATOM 1519 CG MET A 102 -4.212 -5.548 -5.680 1.00 0.00 C ATOM 1520 SD MET A 102 -4.710 -4.176 -4.622 1.00 0.00 S ATOM 1521 CE MET A 102 -3.353 -4.140 -3.453 1.00 0.00 C ATOM 0 H MET A 102 -4.026 -5.501 -8.631 1.00 0.00 H new ATOM 0 HA MET A 102 -3.644 -3.313 -6.976 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.628 -6.163 -6.982 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.131 -5.050 -5.722 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.009 -5.760 -6.392 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.082 -6.443 -5.071 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.663 -3.612 -2.551 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.067 -5.160 -3.196 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.502 -3.626 -3.900 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.760 -4.391 -8.206 1.00 0.00 N ATOM 1532 CA VAL A 103 0.599 -3.976 -8.532 1.00 0.00 C ATOM 1533 C VAL A 103 0.604 -2.646 -9.278 1.00 0.00 C ATOM 1534 O VAL A 103 1.378 -1.745 -8.957 1.00 0.00 O ATOM 1535 CB VAL A 103 1.320 -5.035 -9.388 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.657 -4.504 -9.881 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.506 -6.321 -8.598 1.00 0.00 C ATOM 0 H VAL A 103 -0.954 -5.377 -8.384 1.00 0.00 H new ATOM 0 HA VAL A 103 1.130 -3.861 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 103 0.702 -5.256 -10.258 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.151 -5.266 -10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.494 -3.612 -10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.286 -4.253 -9.027 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.017 -7.058 -9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.103 -6.119 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.532 -6.709 -8.301 1.00 0.00 H new ATOM 1547 N MET A 104 -0.267 -2.531 -10.276 1.00 0.00 N ATOM 1548 CA MET A 104 -0.364 -1.310 -11.067 1.00 0.00 C ATOM 1549 C MET A 104 -0.732 -0.120 -10.187 1.00 0.00 C ATOM 1550 O MET A 104 0.059 0.809 -10.020 1.00 0.00 O ATOM 1551 CB MET A 104 -1.403 -1.478 -12.178 1.00 0.00 C ATOM 1552 CG MET A 104 -1.002 -2.493 -13.236 1.00 0.00 C ATOM 1553 SD MET A 104 -1.980 -2.348 -14.744 1.00 0.00 S ATOM 1554 CE MET A 104 -1.616 -3.912 -15.536 1.00 0.00 C ATOM 0 H MET A 104 -0.915 -3.268 -10.555 1.00 0.00 H new ATOM 0 HA MET A 104 0.611 -1.119 -11.516 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.351 -1.783 -11.735 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.570 -0.513 -12.657 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.053 -2.362 -13.478 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.114 -3.498 -12.830 1.00 0.00 H new ATOM 0 HE1 MET A 104 -2.150 -3.973 -16.484 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.544 -3.987 -15.718 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.932 -4.730 -14.889 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.936 -0.154 -9.627 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.409 0.924 -8.766 1.00 0.00 C ATOM 1566 C TYR A 105 -1.363 1.281 -7.715 1.00 0.00 C ATOM 1567 O TYR A 105 -1.196 2.448 -7.359 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.718 0.521 -8.083 1.00 0.00 C ATOM 1569 CG TYR A 105 -4.178 1.505 -7.030 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.674 2.753 -7.387 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -4.119 1.185 -5.679 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -5.095 3.654 -6.428 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.539 2.079 -4.714 1.00 0.00 C ATOM 1574 CZ TYR A 105 -5.026 3.313 -5.094 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.446 4.207 -4.136 1.00 0.00 O ATOM 0 H TYR A 105 -2.602 -0.916 -9.754 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.586 1.801 -9.388 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.497 0.420 -8.839 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.591 -0.459 -7.623 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.731 3.023 -8.431 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.738 0.220 -5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.476 4.621 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.487 1.814 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.332 3.811 -3.247 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.659 0.267 -7.222 1.00 0.00 N ATOM 1586 CA LEU A 106 0.373 0.472 -6.212 1.00 0.00 C ATOM 1587 C LEU A 106 1.565 1.224 -6.796 1.00 0.00 C ATOM 1588 O LEU A 106 2.209 2.019 -6.110 1.00 0.00 O ATOM 1589 CB LEU A 106 0.832 -0.871 -5.643 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.182 -1.613 -4.772 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.339 -2.993 -4.403 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.498 -0.808 -3.519 1.00 0.00 C ATOM 0 H LEU A 106 -0.784 -0.705 -7.506 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.054 1.073 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.110 -1.519 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.734 -0.704 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.102 -1.736 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.396 -3.506 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.514 -3.570 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.273 -2.893 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.221 -1.351 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.416 -0.654 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.915 0.158 -3.803 1.00 0.00 H new ATOM 1604 N THR A 107 1.854 0.969 -8.068 1.00 0.00 N ATOM 1605 CA THR A 107 2.967 1.621 -8.745 1.00 0.00 C ATOM 1606 C THR A 107 3.098 3.077 -8.311 1.00 0.00 C ATOM 1607 O THR A 107 4.126 3.482 -7.771 1.00 0.00 O ATOM 1608 CB THR A 107 2.803 1.567 -10.276 1.00 0.00 C ATOM 1609 OG1 THR A 107 2.703 0.206 -10.710 1.00 0.00 O ATOM 1610 CG2 THR A 107 3.978 2.241 -10.970 1.00 0.00 C ATOM 0 H THR A 107 1.332 0.315 -8.650 1.00 0.00 H new ATOM 0 HA THR A 107 3.869 1.078 -8.464 1.00 0.00 H new ATOM 0 HB THR A 107 1.890 2.100 -10.541 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.374 -0.349 -9.972 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.840 2.191 -12.050 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.034 3.284 -10.660 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.902 1.731 -10.698 1.00 0.00 H new ATOM 1618 N GLN A 108 2.049 3.857 -8.551 1.00 0.00 N ATOM 1619 CA GLN A 108 2.048 5.268 -8.184 1.00 0.00 C ATOM 1620 C GLN A 108 2.661 5.472 -6.802 1.00 0.00 C ATOM 1621 O GLN A 108 3.637 6.206 -6.646 1.00 0.00 O ATOM 1622 CB GLN A 108 0.623 5.823 -8.209 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.147 5.464 -9.470 1.00 0.00 C ATOM 1624 CD GLN A 108 -0.973 4.203 -9.311 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -0.490 3.096 -9.551 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -2.227 4.363 -8.903 1.00 0.00 N ATOM 0 H GLN A 108 1.190 3.536 -8.997 1.00 0.00 H new ATOM 0 HA GLN A 108 2.653 5.807 -8.913 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.080 5.447 -7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.663 6.908 -8.114 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.803 6.292 -9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.554 5.333 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.587 5.299 -8.715 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.830 3.550 -8.777 1.00 0.00 H new ATOM 1635 N PHE A 109 2.081 4.818 -5.801 1.00 0.00 N ATOM 1636 CA PHE A 109 2.569 4.928 -4.431 1.00 0.00 C ATOM 1637 C PHE A 109 4.082 4.736 -4.376 1.00 0.00 C ATOM 1638 O PHE A 109 4.776 5.404 -3.610 1.00 0.00 O ATOM 1639 CB PHE A 109 1.880 3.895 -3.537 1.00 0.00 C ATOM 1640 CG PHE A 109 0.439 4.214 -3.255 1.00 0.00 C ATOM 1641 CD1 PHE A 109 0.092 5.027 -2.188 1.00 0.00 C ATOM 1642 CD2 PHE A 109 -0.567 3.699 -4.055 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.233 5.323 -1.926 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.894 3.991 -3.798 1.00 0.00 C ATOM 1645 CZ PHE A 109 -2.227 4.803 -2.731 1.00 0.00 C ATOM 0 H PHE A 109 1.272 4.206 -5.913 1.00 0.00 H new ATOM 0 HA PHE A 109 2.333 5.928 -4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 109 1.941 2.916 -4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.420 3.825 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.865 5.434 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.312 3.062 -4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.490 5.960 -1.093 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.669 3.585 -4.431 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.263 5.031 -2.527 1.00 0.00 H new ATOM 1655 N TYR A 110 4.586 3.817 -5.193 1.00 0.00 N ATOM 1656 CA TYR A 110 6.015 3.534 -5.235 1.00 0.00 C ATOM 1657 C TYR A 110 6.762 4.614 -6.012 1.00 0.00 C ATOM 1658 O TYR A 110 7.578 5.344 -5.450 1.00 0.00 O ATOM 1659 CB TYR A 110 6.267 2.166 -5.873 1.00 0.00 C ATOM 1660 CG TYR A 110 7.593 2.068 -6.592 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.763 1.784 -5.898 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.676 2.258 -7.966 1.00 0.00 C ATOM 1663 CE1 TYR A 110 9.977 1.694 -6.551 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.886 2.169 -8.628 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.033 1.887 -7.916 1.00 0.00 C ATOM 1666 OH TYR A 110 11.241 1.797 -8.570 1.00 0.00 O ATOM 0 H TYR A 110 4.026 3.256 -5.835 1.00 0.00 H new ATOM 0 HA TYR A 110 6.387 3.525 -4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.226 1.400 -5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.464 1.950 -6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.722 1.631 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.780 2.479 -8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.877 1.474 -5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.933 2.319 -9.696 1.00 0.00 H new ATOM 0 HH TYR A 110 11.107 1.958 -9.527 1.00 0.00 H new ATOM 1676 N GLU A 111 6.475 4.709 -7.306 1.00 0.00 N ATOM 1677 CA GLU A 111 7.119 5.700 -8.160 1.00 0.00 C ATOM 1678 C GLU A 111 7.107 7.076 -7.500 1.00 0.00 C ATOM 1679 O GLU A 111 8.016 7.881 -7.703 1.00 0.00 O ATOM 1680 CB GLU A 111 6.419 5.768 -9.519 1.00 0.00 C ATOM 1681 CG GLU A 111 6.940 4.755 -10.523 1.00 0.00 C ATOM 1682 CD GLU A 111 8.101 5.288 -11.341 1.00 0.00 C ATOM 1683 OE1 GLU A 111 8.227 6.525 -11.456 1.00 0.00 O ATOM 1684 OE2 GLU A 111 8.882 4.467 -11.866 1.00 0.00 O ATOM 0 H GLU A 111 5.801 4.112 -7.786 1.00 0.00 H new ATOM 0 HA GLU A 111 8.155 5.396 -8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.350 5.609 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.540 6.770 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.255 3.855 -9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.131 4.464 -11.193 1.00 0.00 H new ATOM 1691 N MET A 112 6.071 7.339 -6.711 1.00 0.00 N ATOM 1692 CA MET A 112 5.941 8.617 -6.021 1.00 0.00 C ATOM 1693 C MET A 112 7.041 8.786 -4.977 1.00 0.00 C ATOM 1694 O MET A 112 7.585 9.877 -4.805 1.00 0.00 O ATOM 1695 CB MET A 112 4.568 8.724 -5.354 1.00 0.00 C ATOM 1696 CG MET A 112 4.269 10.106 -4.796 1.00 0.00 C ATOM 1697 SD MET A 112 2.520 10.344 -4.431 1.00 0.00 S ATOM 1698 CE MET A 112 1.928 10.967 -6.003 1.00 0.00 C ATOM 0 H MET A 112 5.309 6.684 -6.533 1.00 0.00 H new ATOM 0 HA MET A 112 6.041 9.412 -6.760 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.799 8.460 -6.080 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.508 7.994 -4.547 1.00 0.00 H new ATOM 0 HG2 MET A 112 4.850 10.260 -3.887 1.00 0.00 H new ATOM 0 HG3 MET A 112 4.593 10.861 -5.513 1.00 0.00 H new ATOM 0 HE1 MET A 112 0.858 11.163 -5.937 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.452 11.891 -6.249 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.114 10.227 -6.781 1.00 0.00 H new ATOM 1708 N PHE A 113 7.363 7.700 -4.283 1.00 0.00 N ATOM 1709 CA PHE A 113 8.398 7.728 -3.255 1.00 0.00 C ATOM 1710 C PHE A 113 9.514 6.741 -3.580 1.00 0.00 C ATOM 1711 O PHE A 113 10.138 6.173 -2.683 1.00 0.00 O ATOM 1712 CB PHE A 113 7.795 7.403 -1.887 1.00 0.00 C ATOM 1713 CG PHE A 113 6.552 8.186 -1.577 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.593 9.568 -1.487 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.342 7.541 -1.377 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.450 10.292 -1.202 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.196 8.259 -1.092 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.250 9.636 -1.005 1.00 0.00 C ATOM 0 H PHE A 113 6.923 6.789 -4.413 1.00 0.00 H new ATOM 0 HA PHE A 113 8.822 8.732 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.564 6.339 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.540 7.599 -1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.528 10.086 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.294 6.464 -1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.495 11.369 -1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.259 7.744 -0.938 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.356 10.199 -0.783 1.00 0.00 H new ATOM 1728 N LYS A 114 9.762 6.539 -4.870 1.00 0.00 N ATOM 1729 CA LYS A 114 10.803 5.622 -5.316 1.00 0.00 C ATOM 1730 C LYS A 114 12.170 6.299 -5.298 1.00 0.00 C ATOM 1731 O LYS A 114 13.194 5.646 -5.102 1.00 0.00 O ATOM 1732 CB LYS A 114 10.493 5.112 -6.725 1.00 0.00 C ATOM 1733 CG LYS A 114 10.868 6.093 -7.823 1.00 0.00 C ATOM 1734 CD LYS A 114 10.879 5.425 -9.188 1.00 0.00 C ATOM 1735 CE LYS A 114 11.294 6.397 -10.281 1.00 0.00 C ATOM 1736 NZ LYS A 114 12.760 6.660 -10.262 1.00 0.00 N ATOM 0 H LYS A 114 9.255 6.999 -5.626 1.00 0.00 H new ATOM 0 HA LYS A 114 10.827 4.777 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.026 4.175 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.428 4.890 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.161 6.922 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.852 6.514 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.564 4.578 -9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.888 5.029 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.010 5.993 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.755 7.336 -10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.003 7.327 -11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.027 7.069 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.275 5.768 -10.407 1.00 0.00 H new ATOM 1750 N ASP A 115 12.177 7.612 -5.502 1.00 0.00 N ATOM 1751 CA ASP A 115 13.417 8.378 -5.507 1.00 0.00 C ATOM 1752 C ASP A 115 13.973 8.522 -4.093 1.00 0.00 C ATOM 1753 O ASP A 115 15.146 8.244 -3.845 1.00 0.00 O ATOM 1754 CB ASP A 115 13.186 9.760 -6.120 1.00 0.00 C ATOM 1755 CG ASP A 115 12.993 9.702 -7.623 1.00 0.00 C ATOM 1756 OD1 ASP A 115 13.989 9.468 -8.340 1.00 0.00 O ATOM 1757 OD2 ASP A 115 11.847 9.889 -8.081 1.00 0.00 O ATOM 0 H ASP A 115 11.337 8.168 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 115 14.146 7.838 -6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.308 10.216 -5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.036 10.403 -5.890 1.00 0.00 H new ATOM 1762 N SER A 116 13.122 8.958 -3.170 1.00 0.00 N ATOM 1763 CA SER A 116 13.529 9.144 -1.782 1.00 0.00 C ATOM 1764 C SER A 116 14.497 8.047 -1.349 1.00 0.00 C ATOM 1765 O SER A 116 14.320 6.878 -1.688 1.00 0.00 O ATOM 1766 CB SER A 116 12.303 9.150 -0.866 1.00 0.00 C ATOM 1767 OG SER A 116 11.532 7.973 -1.038 1.00 0.00 O ATOM 0 H SER A 116 12.146 9.189 -3.358 1.00 0.00 H new ATOM 0 HA SER A 116 14.037 10.105 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 116 12.622 9.231 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.689 10.025 -1.080 1.00 0.00 H new ATOM 0 HG SER A 116 11.284 7.614 -0.161 1.00 0.00 H new ATOM 1773 N GLY A 117 15.522 8.435 -0.596 1.00 0.00 N ATOM 1774 CA GLY A 117 16.504 7.474 -0.128 1.00 0.00 C ATOM 1775 C GLY A 117 15.998 6.650 1.040 1.00 0.00 C ATOM 1776 O GLY A 117 15.247 7.132 1.888 1.00 0.00 O ATOM 0 H GLY A 117 15.690 9.397 -0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 117 16.776 6.809 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 117 17.411 8.001 0.169 1.00 0.00 H new ATOM 1780 N PRO A 118 16.412 5.376 1.094 1.00 0.00 N ATOM 1781 CA PRO A 118 16.007 4.456 2.161 1.00 0.00 C ATOM 1782 C PRO A 118 16.631 4.818 3.505 1.00 0.00 C ATOM 1783 O PRO A 118 17.662 5.487 3.562 1.00 0.00 O ATOM 1784 CB PRO A 118 16.528 3.100 1.677 1.00 0.00 C ATOM 1785 CG PRO A 118 17.667 3.432 0.776 1.00 0.00 C ATOM 1786 CD PRO A 118 17.308 4.734 0.116 1.00 0.00 C ATOM 0 HA PRO A 118 14.931 4.478 2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 118 16.852 2.479 2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 118 15.754 2.544 1.148 1.00 0.00 H new ATOM 0 HG2 PRO A 118 18.596 3.523 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 118 17.819 2.648 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 118 18.191 5.342 -0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 118 16.811 4.576 -0.841 1.00 0.00 H new ATOM 1794 N SER A 119 15.998 4.370 4.585 1.00 0.00 N ATOM 1795 CA SER A 119 16.489 4.649 5.929 1.00 0.00 C ATOM 1796 C SER A 119 15.653 3.920 6.976 1.00 0.00 C ATOM 1797 O SER A 119 14.541 3.471 6.695 1.00 0.00 O ATOM 1798 CB SER A 119 16.467 6.155 6.200 1.00 0.00 C ATOM 1799 OG SER A 119 15.140 6.624 6.364 1.00 0.00 O ATOM 0 H SER A 119 15.144 3.813 4.555 1.00 0.00 H new ATOM 0 HA SER A 119 17.516 4.290 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 119 17.047 6.375 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.943 6.683 5.374 1.00 0.00 H new ATOM 0 HG SER A 119 15.153 7.588 6.538 1.00 0.00 H new ATOM 1805 N SER A 120 16.196 3.806 8.184 1.00 0.00 N ATOM 1806 CA SER A 120 15.502 3.128 9.272 1.00 0.00 C ATOM 1807 C SER A 120 15.140 4.111 10.382 1.00 0.00 C ATOM 1808 O SER A 120 15.834 5.104 10.597 1.00 0.00 O ATOM 1809 CB SER A 120 16.371 2.002 9.836 1.00 0.00 C ATOM 1810 OG SER A 120 16.620 1.010 8.856 1.00 0.00 O ATOM 0 H SER A 120 17.114 4.174 8.434 1.00 0.00 H new ATOM 0 HA SER A 120 14.581 2.702 8.873 1.00 0.00 H new ATOM 0 HB2 SER A 120 17.316 2.412 10.192 1.00 0.00 H new ATOM 0 HB3 SER A 120 15.875 1.552 10.696 1.00 0.00 H new ATOM 0 HG SER A 120 17.179 0.303 9.241 1.00 0.00 H new ATOM 1816 N GLY A 121 14.048 3.825 11.084 1.00 0.00 N ATOM 1817 CA GLY A 121 13.612 4.693 12.163 1.00 0.00 C ATOM 1818 C GLY A 121 12.410 5.534 11.781 1.00 0.00 C ATOM 1819 O GLY A 121 12.340 6.060 10.671 1.00 0.00 O ATOM 0 H GLY A 121 13.458 3.008 10.925 1.00 0.00 H new ATOM 0 HA2 GLY A 121 13.365 4.087 13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 121 14.433 5.349 12.452 1.00 0.00 H new TER 1823 GLY A 121