USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1032 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 71 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 83 CYS SG : rot 79:sc= -2.75! USER MOD Set 2.1: A 33 ASN : amide:sc= 0.476 K(o=0.49,f=-5.6!) USER MOD Set 2.2: A 119 SER OG : rot 180:sc= 0.0161 USER MOD Set 3.1: A 14 SER OG : rot -156:sc= 1.11 USER MOD Set 3.2: A 17 GLN : amide:sc= 1.22 K(o=2.3,f=1.7) USER MOD Set 4.1: A 8 SER OG : rot -151:sc= 0.83 USER MOD Set 4.2: A 51 TYR OH : rot -147:sc= 0.796 USER MOD Set 5.1: A 7 LYS NZ :NH3+ -133:sc= 1.14 (180deg=-0.21) USER MOD Set 5.2: A 121 GLN : amide:sc= -1.49! C(o=-0.35!,f=-14!) USER MOD Set 6.1: A 3 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.725 K(o=0.73,f=-5.2!) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.989) USER MOD Single : A 29 THR OG1 : rot 33:sc= -0.121 USER MOD Single : A 34 HIS : no HD1:sc= -0.325 K(o=-0.32,f=-1.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.94 K(o=-0.94,f=-0.0013) USER MOD Single : A 40 MET CE :methyl -170:sc= -0.479 (180deg=-0.839) USER MOD Single : A 43 MET CE :methyl 165:sc= 0 (180deg=-0.367) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -0.192 K(o=-0.19,f=-4.5!) USER MOD Single : A 54 SER OG : rot -38:sc= -0.749 USER MOD Single : A 55 ASN : amide:sc= 1.05 K(o=1.1,f=-1.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -133:sc= 1.17 (180deg=-0.172) USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -0.356! (180deg=-1.75!) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.0348 (180deg=-0.295) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 102 LYS NZ :NH3+ 177:sc= 1.41 (180deg=1.27) USER MOD Single : A 110 MET CE :methyl -135:sc= -0.243 (180deg=-1.71) USER MOD Single : A 113 MET CE :methyl 175:sc= -2.48! (180deg=-2.61!) USER MOD Single : A 114 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.18) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0.0294 USER MOD Single : A 124 THR OG1 : rot 104:sc= 1.28 USER MOD Single : A 132 CYS SG : rot 76:sc= 1.24 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -158:sc= -0.057 (180deg=-0.493) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 118.194 5.433 -10.318 1.00 0.00 N ATOM 20 CA ALA A 2 117.296 6.156 -9.435 1.00 0.00 C ATOM 21 C ALA A 2 117.358 5.552 -8.042 1.00 0.00 C ATOM 22 O ALA A 2 117.965 4.496 -7.844 1.00 0.00 O ATOM 23 CB ALA A 2 115.875 6.133 -9.977 1.00 0.00 C ATOM 0 HA ALA A 2 117.611 7.198 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 2 115.219 6.680 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.853 6.601 -10.961 1.00 0.00 H new ATOM 0 HB3 ALA A 2 115.533 5.101 -10.058 1.00 0.00 H new ATOM 29 N TYR A 3 116.744 6.219 -7.078 1.00 0.00 N ATOM 30 CA TYR A 3 116.769 5.752 -5.705 1.00 0.00 C ATOM 31 C TYR A 3 115.357 5.545 -5.188 1.00 0.00 C ATOM 32 O TYR A 3 114.477 6.380 -5.397 1.00 0.00 O ATOM 33 CB TYR A 3 117.525 6.737 -4.816 1.00 0.00 C ATOM 34 CG TYR A 3 118.976 6.915 -5.210 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.771 5.818 -5.523 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.552 8.177 -5.257 1.00 0.00 C ATOM 37 CE1 TYR A 3 121.098 5.975 -5.871 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.878 8.342 -5.607 1.00 0.00 C ATOM 39 CZ TYR A 3 121.647 7.239 -5.913 1.00 0.00 C ATOM 40 OH TYR A 3 122.970 7.403 -6.247 1.00 0.00 O ATOM 0 H TYR A 3 116.223 7.084 -7.223 1.00 0.00 H new ATOM 0 HA TYR A 3 117.290 4.795 -5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 3 117.025 7.705 -4.853 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.477 6.393 -3.783 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.343 4.827 -5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.954 9.044 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.703 5.112 -6.109 1.00 0.00 H new ATOM 0 HE2 TYR A 3 121.311 9.331 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 3 123.196 8.356 -6.230 1.00 0.00 H new ATOM 50 N TRP A 4 115.147 4.420 -4.527 1.00 0.00 N ATOM 51 CA TRP A 4 113.831 4.052 -4.028 1.00 0.00 C ATOM 52 C TRP A 4 113.916 3.635 -2.562 1.00 0.00 C ATOM 53 O TRP A 4 114.999 3.606 -1.979 1.00 0.00 O ATOM 54 CB TRP A 4 113.255 2.903 -4.867 1.00 0.00 C ATOM 55 CG TRP A 4 113.299 3.157 -6.348 1.00 0.00 C ATOM 56 CD1 TRP A 4 114.262 2.736 -7.222 1.00 0.00 C ATOM 57 CD2 TRP A 4 112.349 3.893 -7.125 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.969 3.170 -8.494 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.799 3.879 -8.461 1.00 0.00 C ATOM 60 CE3 TRP A 4 111.162 4.561 -6.823 1.00 0.00 C ATOM 61 CZ2 TRP A 4 112.102 4.508 -9.489 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.472 5.185 -7.844 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.944 5.154 -9.163 1.00 0.00 C ATOM 0 H TRP A 4 115.878 3.739 -4.321 1.00 0.00 H new ATOM 0 HA TRP A 4 113.173 4.917 -4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.809 1.991 -4.647 1.00 0.00 H new ATOM 0 HB3 TRP A 4 112.222 2.728 -4.568 1.00 0.00 H new ATOM 0 HD1 TRP A 4 115.127 2.148 -6.953 1.00 0.00 H new ATOM 0 HE1 TRP A 4 114.532 2.992 -9.326 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.790 4.590 -5.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 112.464 4.486 -10.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.552 5.706 -7.622 1.00 0.00 H new ATOM 0 HH2 TRP A 4 110.380 5.652 -9.938 1.00 0.00 H new ATOM 74 N LEU A 5 112.774 3.329 -1.975 1.00 0.00 N ATOM 75 CA LEU A 5 112.707 2.837 -0.610 1.00 0.00 C ATOM 76 C LEU A 5 111.505 1.908 -0.476 1.00 0.00 C ATOM 77 O LEU A 5 110.397 2.254 -0.898 1.00 0.00 O ATOM 78 CB LEU A 5 112.602 4.017 0.375 1.00 0.00 C ATOM 79 CG LEU A 5 112.742 3.674 1.869 1.00 0.00 C ATOM 80 CD1 LEU A 5 113.166 4.906 2.652 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.437 3.131 2.442 1.00 0.00 C ATOM 0 H LEU A 5 111.866 3.414 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 5 113.614 2.282 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 5 113.370 4.746 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.638 4.503 0.225 1.00 0.00 H new ATOM 0 HG LEU A 5 113.505 2.900 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 5 113.262 4.651 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 5 114.125 5.264 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 5 112.416 5.688 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.572 2.899 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.652 3.879 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 5 111.153 2.226 1.906 1.00 0.00 H new ATOM 93 N VAL A 6 111.728 0.727 0.085 1.00 0.00 N ATOM 94 CA VAL A 6 110.658 -0.244 0.262 1.00 0.00 C ATOM 95 C VAL A 6 110.403 -0.505 1.743 1.00 0.00 C ATOM 96 O VAL A 6 111.337 -0.594 2.547 1.00 0.00 O ATOM 97 CB VAL A 6 110.957 -1.580 -0.462 1.00 0.00 C ATOM 98 CG1 VAL A 6 111.006 -1.368 -1.967 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.254 -2.208 0.032 1.00 0.00 C ATOM 0 H VAL A 6 112.639 0.419 0.425 1.00 0.00 H new ATOM 0 HA VAL A 6 109.763 0.187 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 6 110.147 -2.272 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.217 -2.316 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 6 110.046 -0.985 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.791 -0.651 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.430 -3.144 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.083 -1.524 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.178 -2.406 1.101 1.00 0.00 H new ATOM 109 N LYS A 7 109.133 -0.597 2.098 1.00 0.00 N ATOM 110 CA LYS A 7 108.742 -0.855 3.474 1.00 0.00 C ATOM 111 C LYS A 7 108.536 -2.350 3.694 1.00 0.00 C ATOM 112 O LYS A 7 107.666 -2.959 3.071 1.00 0.00 O ATOM 113 CB LYS A 7 107.454 -0.098 3.813 1.00 0.00 C ATOM 114 CG LYS A 7 107.554 1.408 3.634 1.00 0.00 C ATOM 115 CD LYS A 7 106.288 2.103 4.110 1.00 0.00 C ATOM 116 CE LYS A 7 106.341 3.605 3.875 1.00 0.00 C ATOM 117 NZ LYS A 7 107.500 4.244 4.551 1.00 0.00 N ATOM 0 H LYS A 7 108.352 -0.496 1.450 1.00 0.00 H new ATOM 0 HA LYS A 7 109.540 -0.507 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.647 -0.475 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.180 -0.313 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.411 1.787 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 7 107.727 1.641 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.427 1.685 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.144 1.907 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.395 3.801 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.418 4.059 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 107.181 5.094 5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 107.919 3.575 5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 108.212 4.510 3.841 1.00 0.00 H new ATOM 131 N SER A 8 109.343 -2.939 4.566 1.00 0.00 N ATOM 132 CA SER A 8 109.236 -4.357 4.863 1.00 0.00 C ATOM 133 C SER A 8 109.080 -4.574 6.366 1.00 0.00 C ATOM 134 O SER A 8 109.811 -3.988 7.168 1.00 0.00 O ATOM 135 CB SER A 8 110.472 -5.095 4.342 1.00 0.00 C ATOM 136 OG SER A 8 110.402 -6.487 4.605 1.00 0.00 O ATOM 0 H SER A 8 110.079 -2.454 5.080 1.00 0.00 H new ATOM 0 HA SER A 8 108.353 -4.756 4.364 1.00 0.00 H new ATOM 0 HB2 SER A 8 110.568 -4.932 3.269 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.366 -4.681 4.808 1.00 0.00 H new ATOM 0 HG SER A 8 111.308 -6.847 4.706 1.00 0.00 H new ATOM 142 N GLU A 9 108.118 -5.401 6.744 1.00 0.00 N ATOM 143 CA GLU A 9 107.901 -5.721 8.142 1.00 0.00 C ATOM 144 C GLU A 9 108.616 -7.017 8.504 1.00 0.00 C ATOM 145 O GLU A 9 108.406 -8.047 7.859 1.00 0.00 O ATOM 146 CB GLU A 9 106.409 -5.850 8.440 1.00 0.00 C ATOM 147 CG GLU A 9 105.644 -4.546 8.294 1.00 0.00 C ATOM 148 CD GLU A 9 104.178 -4.703 8.628 1.00 0.00 C ATOM 149 OE1 GLU A 9 103.841 -4.767 9.828 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.353 -4.773 7.694 1.00 0.00 O ATOM 0 H GLU A 9 107.476 -5.862 6.100 1.00 0.00 H new ATOM 0 HA GLU A 9 108.308 -4.910 8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 9 105.976 -6.592 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.281 -6.225 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 9 106.085 -3.793 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.745 -4.180 7.272 1.00 0.00 H new ATOM 157 N PRO A 10 109.449 -6.987 9.557 1.00 0.00 N ATOM 158 CA PRO A 10 110.234 -8.149 9.994 1.00 0.00 C ATOM 159 C PRO A 10 109.350 -9.294 10.472 1.00 0.00 C ATOM 160 O PRO A 10 109.811 -10.424 10.636 1.00 0.00 O ATOM 161 CB PRO A 10 111.089 -7.613 11.149 1.00 0.00 C ATOM 162 CG PRO A 10 111.010 -6.128 11.048 1.00 0.00 C ATOM 163 CD PRO A 10 109.687 -5.817 10.411 1.00 0.00 C ATOM 0 HA PRO A 10 110.826 -8.562 9.177 1.00 0.00 H new ATOM 0 HB2 PRO A 10 110.712 -7.961 12.111 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.120 -7.958 11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 10 111.085 -5.667 12.033 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.832 -5.735 10.449 1.00 0.00 H new ATOM 0 HD2 PRO A 10 108.900 -5.693 11.155 1.00 0.00 H new ATOM 0 HD3 PRO A 10 109.725 -4.895 9.831 1.00 0.00 H new ATOM 171 N SER A 11 108.079 -8.987 10.693 1.00 0.00 N ATOM 172 CA SER A 11 107.092 -9.983 11.074 1.00 0.00 C ATOM 173 C SER A 11 106.924 -11.024 9.973 1.00 0.00 C ATOM 174 O SER A 11 106.684 -12.200 10.247 1.00 0.00 O ATOM 175 CB SER A 11 105.757 -9.293 11.344 1.00 0.00 C ATOM 176 OG SER A 11 105.916 -8.219 12.256 1.00 0.00 O ATOM 0 H SER A 11 107.705 -8.041 10.613 1.00 0.00 H new ATOM 0 HA SER A 11 107.433 -10.491 11.976 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.340 -8.921 10.408 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.045 -10.014 11.746 1.00 0.00 H new ATOM 0 HG SER A 11 105.048 -7.791 12.412 1.00 0.00 H new ATOM 182 N VAL A 12 107.067 -10.584 8.730 1.00 0.00 N ATOM 183 CA VAL A 12 106.885 -11.461 7.586 1.00 0.00 C ATOM 184 C VAL A 12 108.213 -11.720 6.878 1.00 0.00 C ATOM 185 O VAL A 12 108.539 -12.862 6.551 1.00 0.00 O ATOM 186 CB VAL A 12 105.869 -10.872 6.583 1.00 0.00 C ATOM 187 CG1 VAL A 12 105.632 -11.829 5.423 1.00 0.00 C ATOM 188 CG2 VAL A 12 104.557 -10.544 7.281 1.00 0.00 C ATOM 0 H VAL A 12 107.309 -9.623 8.490 1.00 0.00 H new ATOM 0 HA VAL A 12 106.494 -12.406 7.963 1.00 0.00 H new ATOM 0 HB VAL A 12 106.287 -9.949 6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 12 104.913 -11.391 4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 12 106.573 -12.010 4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.241 -12.772 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 12 103.854 -10.130 6.558 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.139 -11.452 7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 12 104.737 -9.814 8.070 1.00 0.00 H new ATOM 198 N TRP A 13 108.984 -10.664 6.658 1.00 0.00 N ATOM 199 CA TRP A 13 110.256 -10.791 5.963 1.00 0.00 C ATOM 200 C TRP A 13 111.352 -10.040 6.713 1.00 0.00 C ATOM 201 O TRP A 13 111.106 -8.983 7.289 1.00 0.00 O ATOM 202 CB TRP A 13 110.132 -10.271 4.529 1.00 0.00 C ATOM 203 CG TRP A 13 111.257 -10.725 3.649 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.157 -9.941 2.986 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.611 -12.079 3.353 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.041 -10.729 2.290 1.00 0.00 N ATOM 207 CE2 TRP A 13 112.726 -12.043 2.499 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.086 -13.320 3.724 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.331 -13.200 2.015 1.00 0.00 C ATOM 210 CZ3 TRP A 13 111.686 -14.467 3.242 1.00 0.00 C ATOM 211 CH2 TRP A 13 112.798 -14.401 2.396 1.00 0.00 C ATOM 0 H TRP A 13 108.752 -9.714 6.949 1.00 0.00 H new ATOM 0 HA TRP A 13 110.528 -11.846 5.926 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.186 -10.608 4.105 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.104 -9.181 4.543 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.172 -8.861 3.006 1.00 0.00 H new ATOM 0 HE1 TRP A 13 113.809 -10.389 1.711 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.227 -13.381 4.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.190 -13.151 1.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.290 -15.432 3.523 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.245 -15.316 2.036 1.00 0.00 H new ATOM 222 N SER A 14 112.559 -10.587 6.709 1.00 0.00 N ATOM 223 CA SER A 14 113.650 -10.001 7.464 1.00 0.00 C ATOM 224 C SER A 14 114.805 -9.592 6.555 1.00 0.00 C ATOM 225 O SER A 14 114.790 -9.854 5.347 1.00 0.00 O ATOM 226 CB SER A 14 114.137 -10.984 8.528 1.00 0.00 C ATOM 227 OG SER A 14 114.531 -12.215 7.945 1.00 0.00 O ATOM 0 H SER A 14 112.804 -11.432 6.193 1.00 0.00 H new ATOM 0 HA SER A 14 113.276 -9.100 7.950 1.00 0.00 H new ATOM 0 HB2 SER A 14 114.977 -10.550 9.071 1.00 0.00 H new ATOM 0 HB3 SER A 14 113.344 -11.160 9.255 1.00 0.00 H new ATOM 0 HG SER A 14 114.471 -12.928 8.614 1.00 0.00 H new ATOM 233 N TRP A 15 115.804 -8.954 7.149 1.00 0.00 N ATOM 234 CA TRP A 15 116.959 -8.451 6.420 1.00 0.00 C ATOM 235 C TRP A 15 117.943 -9.574 6.091 1.00 0.00 C ATOM 236 O TRP A 15 118.392 -9.696 4.952 1.00 0.00 O ATOM 237 CB TRP A 15 117.638 -7.358 7.255 1.00 0.00 C ATOM 238 CG TRP A 15 118.932 -6.851 6.691 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.150 -6.887 7.304 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.143 -6.228 5.418 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.102 -6.319 6.497 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.511 -5.909 5.333 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.311 -5.909 4.343 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.064 -5.288 4.219 1.00 0.00 C ATOM 245 CZ3 TRP A 15 118.862 -5.290 3.237 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.227 -4.987 3.182 1.00 0.00 C ATOM 0 H TRP A 15 115.836 -8.771 8.152 1.00 0.00 H new ATOM 0 HA TRP A 15 116.624 -8.031 5.471 1.00 0.00 H new ATOM 0 HB2 TRP A 15 116.950 -6.519 7.359 1.00 0.00 H new ATOM 0 HB3 TRP A 15 117.821 -7.746 8.257 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.337 -7.303 8.283 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.091 -6.218 6.727 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.257 -6.142 4.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.117 -5.052 4.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.228 -5.036 2.401 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.627 -4.505 2.302 1.00 0.00 H new ATOM 257 N ASP A 16 118.251 -10.404 7.086 1.00 0.00 N ATOM 258 CA ASP A 16 119.243 -11.473 6.931 1.00 0.00 C ATOM 259 C ASP A 16 118.928 -12.382 5.745 1.00 0.00 C ATOM 260 O ASP A 16 119.813 -12.694 4.942 1.00 0.00 O ATOM 261 CB ASP A 16 119.332 -12.308 8.208 1.00 0.00 C ATOM 262 CG ASP A 16 120.218 -13.531 8.043 1.00 0.00 C ATOM 263 OD1 ASP A 16 121.458 -13.393 8.128 1.00 0.00 O ATOM 264 OD2 ASP A 16 119.682 -14.638 7.847 1.00 0.00 O ATOM 0 H ASP A 16 117.827 -10.358 8.013 1.00 0.00 H new ATOM 0 HA ASP A 16 120.203 -10.993 6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 16 119.720 -11.689 9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 16 118.331 -12.625 8.501 1.00 0.00 H new ATOM 269 N GLN A 17 117.669 -12.791 5.634 1.00 0.00 N ATOM 270 CA GLN A 17 117.237 -13.668 4.548 1.00 0.00 C ATOM 271 C GLN A 17 117.495 -13.028 3.191 1.00 0.00 C ATOM 272 O GLN A 17 117.951 -13.688 2.261 1.00 0.00 O ATOM 273 CB GLN A 17 115.751 -13.996 4.687 1.00 0.00 C ATOM 274 CG GLN A 17 115.414 -14.784 5.939 1.00 0.00 C ATOM 275 CD GLN A 17 113.938 -15.100 6.046 1.00 0.00 C ATOM 276 OE1 GLN A 17 113.476 -16.131 5.567 1.00 0.00 O ATOM 277 NE2 GLN A 17 113.186 -14.213 6.677 1.00 0.00 N ATOM 0 H GLN A 17 116.927 -12.530 6.283 1.00 0.00 H new ATOM 0 HA GLN A 17 117.817 -14.589 4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 17 115.182 -13.067 4.689 1.00 0.00 H new ATOM 0 HB3 GLN A 17 115.430 -14.564 3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 17 115.982 -15.714 5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 17 115.725 -14.217 6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 17 113.608 -13.368 7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 17 112.184 -14.374 6.779 1.00 0.00 H new ATOM 286 N GLN A 18 117.219 -11.735 3.092 1.00 0.00 N ATOM 287 CA GLN A 18 117.385 -11.014 1.839 1.00 0.00 C ATOM 288 C GLN A 18 118.868 -10.885 1.489 1.00 0.00 C ATOM 289 O GLN A 18 119.234 -10.845 0.315 1.00 0.00 O ATOM 290 CB GLN A 18 116.739 -9.631 1.945 1.00 0.00 C ATOM 291 CG GLN A 18 116.582 -8.918 0.611 1.00 0.00 C ATOM 292 CD GLN A 18 115.634 -9.641 -0.325 1.00 0.00 C ATOM 293 OE1 GLN A 18 114.705 -10.312 0.114 1.00 0.00 O ATOM 294 NE2 GLN A 18 115.859 -9.503 -1.620 1.00 0.00 N ATOM 0 H GLN A 18 116.879 -11.164 3.866 1.00 0.00 H new ATOM 0 HA GLN A 18 116.893 -11.573 1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 18 115.758 -9.734 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 18 117.341 -9.010 2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 18 116.215 -7.906 0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 18 117.558 -8.826 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 18 116.643 -8.936 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 18 115.249 -9.963 -2.296 1.00 0.00 H new ATOM 303 N VAL A 19 119.714 -10.822 2.514 1.00 0.00 N ATOM 304 CA VAL A 19 121.159 -10.756 2.317 1.00 0.00 C ATOM 305 C VAL A 19 121.686 -12.094 1.805 1.00 0.00 C ATOM 306 O VAL A 19 122.532 -12.142 0.907 1.00 0.00 O ATOM 307 CB VAL A 19 121.901 -10.380 3.617 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.404 -10.301 3.385 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.382 -9.065 4.171 1.00 0.00 C ATOM 0 H VAL A 19 119.423 -10.815 3.491 1.00 0.00 H new ATOM 0 HA VAL A 19 121.347 -9.976 1.579 1.00 0.00 H new ATOM 0 HB VAL A 19 121.710 -11.164 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 19 123.902 -10.034 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.770 -11.268 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.616 -9.544 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 19 121.919 -8.819 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 19 121.537 -8.274 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.318 -9.156 4.387 1.00 0.00 H new ATOM 319 N ALA A 20 121.171 -13.180 2.373 1.00 0.00 N ATOM 320 CA ALA A 20 121.528 -14.521 1.927 1.00 0.00 C ATOM 321 C ALA A 20 121.011 -14.757 0.511 1.00 0.00 C ATOM 322 O ALA A 20 121.568 -15.548 -0.251 1.00 0.00 O ATOM 323 CB ALA A 20 120.974 -15.565 2.883 1.00 0.00 C ATOM 0 H ALA A 20 120.504 -13.157 3.144 1.00 0.00 H new ATOM 0 HA ALA A 20 122.614 -14.611 1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 20 121.250 -16.560 2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 20 121.386 -15.402 3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 20 119.888 -15.483 2.922 1.00 0.00 H new ATOM 329 N LYS A 21 119.945 -14.049 0.168 1.00 0.00 N ATOM 330 CA LYS A 21 119.375 -14.098 -1.169 1.00 0.00 C ATOM 331 C LYS A 21 119.936 -12.974 -2.033 1.00 0.00 C ATOM 332 O LYS A 21 119.397 -12.669 -3.094 1.00 0.00 O ATOM 333 CB LYS A 21 117.852 -13.980 -1.089 1.00 0.00 C ATOM 334 CG LYS A 21 117.174 -15.216 -0.525 1.00 0.00 C ATOM 335 CD LYS A 21 115.724 -14.945 -0.172 1.00 0.00 C ATOM 336 CE LYS A 21 114.963 -16.231 0.111 1.00 0.00 C ATOM 337 NZ LYS A 21 114.735 -17.024 -1.125 1.00 0.00 N ATOM 0 H LYS A 21 119.452 -13.426 0.808 1.00 0.00 H new ATOM 0 HA LYS A 21 119.640 -15.052 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.595 -13.121 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.459 -13.783 -2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.227 -16.025 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 21 117.709 -15.552 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 21 115.678 -14.295 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 21 115.244 -14.411 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 21 115.520 -16.832 0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 21 114.004 -15.992 0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 113.919 -17.654 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 114.545 -16.381 -1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 115.580 -17.593 -1.334 1.00 0.00 H new ATOM 351 N GLY A 22 121.029 -12.372 -1.575 1.00 0.00 N ATOM 352 CA GLY A 22 121.629 -11.253 -2.283 1.00 0.00 C ATOM 353 C GLY A 22 122.109 -11.622 -3.672 1.00 0.00 C ATOM 354 O GLY A 22 122.098 -10.794 -4.579 1.00 0.00 O ATOM 0 H GLY A 22 121.514 -12.641 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 22 120.901 -10.445 -2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.469 -10.872 -1.703 1.00 0.00 H new ATOM 358 N ALA A 23 122.526 -12.870 -3.837 1.00 0.00 N ATOM 359 CA ALA A 23 123.014 -13.350 -5.122 1.00 0.00 C ATOM 360 C ALA A 23 121.904 -14.050 -5.898 1.00 0.00 C ATOM 361 O ALA A 23 122.115 -14.529 -7.014 1.00 0.00 O ATOM 362 CB ALA A 23 124.193 -14.290 -4.917 1.00 0.00 C ATOM 0 H ALA A 23 122.536 -13.570 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 23 123.345 -12.491 -5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.550 -14.643 -5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 23 124.996 -13.760 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.879 -15.142 -4.314 1.00 0.00 H new ATOM 368 N ALA A 24 120.718 -14.095 -5.308 1.00 0.00 N ATOM 369 CA ALA A 24 119.594 -14.791 -5.913 1.00 0.00 C ATOM 370 C ALA A 24 118.511 -13.806 -6.336 1.00 0.00 C ATOM 371 O ALA A 24 118.240 -13.647 -7.525 1.00 0.00 O ATOM 372 CB ALA A 24 119.033 -15.823 -4.949 1.00 0.00 C ATOM 0 H ALA A 24 120.510 -13.657 -4.410 1.00 0.00 H new ATOM 0 HA ALA A 24 119.948 -15.306 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 24 118.192 -16.337 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.808 -16.548 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.696 -15.326 -4.039 1.00 0.00 H new ATOM 378 N GLY A 25 117.914 -13.134 -5.359 1.00 0.00 N ATOM 379 CA GLY A 25 116.867 -12.170 -5.639 1.00 0.00 C ATOM 380 C GLY A 25 115.490 -12.687 -5.266 1.00 0.00 C ATOM 381 O GLY A 25 115.252 -13.895 -5.263 1.00 0.00 O ATOM 0 H GLY A 25 118.139 -13.241 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.068 -11.250 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 25 116.883 -11.918 -6.699 1.00 0.00 H new ATOM 385 N GLU A 26 114.591 -11.770 -4.941 1.00 0.00 N ATOM 386 CA GLU A 26 113.208 -12.105 -4.620 1.00 0.00 C ATOM 387 C GLU A 26 112.263 -11.157 -5.345 1.00 0.00 C ATOM 388 O GLU A 26 112.600 -9.995 -5.580 1.00 0.00 O ATOM 389 CB GLU A 26 112.960 -12.018 -3.112 1.00 0.00 C ATOM 390 CG GLU A 26 113.578 -13.152 -2.309 1.00 0.00 C ATOM 391 CD GLU A 26 112.936 -14.498 -2.597 1.00 0.00 C ATOM 392 OE1 GLU A 26 111.704 -14.622 -2.443 1.00 0.00 O ATOM 393 OE2 GLU A 26 113.662 -15.446 -2.968 1.00 0.00 O ATOM 0 H GLU A 26 114.798 -10.772 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 26 113.022 -13.129 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 26 113.356 -11.071 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 26 111.885 -12.005 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 26 114.644 -13.209 -2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 26 113.485 -12.931 -1.246 1.00 0.00 H new ATOM 400 N ALA A 27 111.086 -11.651 -5.693 1.00 0.00 N ATOM 401 CA ALA A 27 110.104 -10.847 -6.403 1.00 0.00 C ATOM 402 C ALA A 27 109.259 -10.037 -5.428 1.00 0.00 C ATOM 403 O ALA A 27 108.659 -10.590 -4.507 1.00 0.00 O ATOM 404 CB ALA A 27 109.211 -11.735 -7.257 1.00 0.00 C ATOM 0 H ALA A 27 110.787 -12.606 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 27 110.638 -10.154 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.481 -11.119 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 27 109.821 -12.274 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 27 108.691 -12.449 -6.619 1.00 0.00 H new ATOM 410 N TRP A 28 109.216 -8.728 -5.635 1.00 0.00 N ATOM 411 CA TRP A 28 108.404 -7.850 -4.807 1.00 0.00 C ATOM 412 C TRP A 28 106.973 -7.853 -5.334 1.00 0.00 C ATOM 413 O TRP A 28 106.574 -6.981 -6.108 1.00 0.00 O ATOM 414 CB TRP A 28 108.988 -6.433 -4.802 1.00 0.00 C ATOM 415 CG TRP A 28 108.558 -5.605 -3.628 1.00 0.00 C ATOM 416 CD1 TRP A 28 107.747 -4.508 -3.649 1.00 0.00 C ATOM 417 CD2 TRP A 28 108.916 -5.811 -2.255 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.589 -4.014 -2.376 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.294 -4.799 -1.503 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.704 -6.755 -1.592 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.435 -4.702 -0.120 1.00 0.00 C ATOM 422 CZ3 TRP A 28 109.844 -6.659 -0.220 1.00 0.00 C ATOM 423 CH2 TRP A 28 109.213 -5.641 0.503 1.00 0.00 C ATOM 0 H TRP A 28 109.736 -8.251 -6.371 1.00 0.00 H new ATOM 0 HA TRP A 28 108.403 -8.210 -3.778 1.00 0.00 H new ATOM 0 HB2 TRP A 28 110.076 -6.499 -4.809 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.693 -5.925 -5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.295 -4.089 -4.536 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.036 -3.195 -2.123 1.00 0.00 H new ATOM 0 HE3 TRP A 28 110.195 -7.545 -2.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 107.949 -3.916 0.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 110.451 -7.383 0.303 1.00 0.00 H new ATOM 0 HH2 TRP A 28 109.342 -5.595 1.574 1.00 0.00 H new ATOM 434 N THR A 29 106.229 -8.871 -4.940 1.00 0.00 N ATOM 435 CA THR A 29 104.888 -9.109 -5.451 1.00 0.00 C ATOM 436 C THR A 29 103.839 -8.859 -4.369 1.00 0.00 C ATOM 437 O THR A 29 104.154 -8.861 -3.176 1.00 0.00 O ATOM 438 CB THR A 29 104.776 -10.557 -5.999 1.00 0.00 C ATOM 439 OG1 THR A 29 103.415 -10.934 -6.225 1.00 0.00 O ATOM 440 CG2 THR A 29 105.421 -11.555 -5.048 1.00 0.00 C ATOM 0 H THR A 29 106.538 -9.560 -4.254 1.00 0.00 H new ATOM 0 HA THR A 29 104.700 -8.410 -6.266 1.00 0.00 H new ATOM 0 HB THR A 29 105.305 -10.573 -6.952 1.00 0.00 H new ATOM 0 HG1 THR A 29 102.898 -10.147 -6.497 1.00 0.00 H new ATOM 0 HG21 THR A 29 105.327 -12.561 -5.458 1.00 0.00 H new ATOM 0 HG22 THR A 29 106.476 -11.310 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 29 104.922 -11.510 -4.080 1.00 0.00 H new ATOM 448 N GLY A 30 102.600 -8.627 -4.792 1.00 0.00 N ATOM 449 CA GLY A 30 101.526 -8.392 -3.848 1.00 0.00 C ATOM 450 C GLY A 30 101.254 -6.917 -3.625 1.00 0.00 C ATOM 451 O GLY A 30 100.709 -6.528 -2.590 1.00 0.00 O ATOM 0 H GLY A 30 102.322 -8.598 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.618 -8.874 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.777 -8.859 -2.895 1.00 0.00 H new ATOM 455 N VAL A 31 101.629 -6.094 -4.596 1.00 0.00 N ATOM 456 CA VAL A 31 101.408 -4.658 -4.501 1.00 0.00 C ATOM 457 C VAL A 31 99.945 -4.304 -4.775 1.00 0.00 C ATOM 458 O VAL A 31 99.525 -4.141 -5.918 1.00 0.00 O ATOM 459 CB VAL A 31 102.341 -3.865 -5.446 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.757 -3.840 -4.891 1.00 0.00 C ATOM 461 CG2 VAL A 31 102.338 -4.456 -6.851 1.00 0.00 C ATOM 0 H VAL A 31 102.087 -6.396 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 31 101.649 -4.368 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 31 101.965 -2.844 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.403 -3.279 -5.566 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.755 -3.363 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.129 -4.860 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 31 103.003 -3.876 -7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 31 102.682 -5.490 -6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 31 101.327 -4.425 -7.257 1.00 0.00 H new ATOM 471 N ARG A 32 99.169 -4.211 -3.703 1.00 0.00 N ATOM 472 CA ARG A 32 97.745 -3.917 -3.804 1.00 0.00 C ATOM 473 C ARG A 32 97.511 -2.447 -4.132 1.00 0.00 C ATOM 474 O ARG A 32 96.501 -2.087 -4.738 1.00 0.00 O ATOM 475 CB ARG A 32 97.039 -4.280 -2.497 1.00 0.00 C ATOM 476 CG ARG A 32 97.165 -5.750 -2.135 1.00 0.00 C ATOM 477 CD ARG A 32 96.518 -6.055 -0.795 1.00 0.00 C ATOM 478 NE ARG A 32 96.683 -7.459 -0.416 1.00 0.00 N ATOM 479 CZ ARG A 32 96.881 -7.879 0.833 1.00 0.00 C ATOM 480 NH1 ARG A 32 96.925 -7.006 1.835 1.00 0.00 N ATOM 481 NH2 ARG A 32 97.023 -9.177 1.075 1.00 0.00 N ATOM 0 H ARG A 32 99.504 -4.336 -2.748 1.00 0.00 H new ATOM 0 HA ARG A 32 97.331 -4.518 -4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 32 97.453 -3.677 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 32 95.983 -4.022 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 32 96.699 -6.357 -2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 32 98.218 -6.028 -2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 32 96.956 -5.418 -0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 32 95.456 -5.814 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 32 96.644 -8.161 -1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 32 96.807 -6.010 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 32 97.077 -7.332 2.789 1.00 0.00 H new ATOM 0 HH21 ARG A 32 96.980 -9.847 0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 32 97.175 -9.504 2.029 1.00 0.00 H new ATOM 495 N ASN A 33 98.450 -1.605 -3.732 1.00 0.00 N ATOM 496 CA ASN A 33 98.354 -0.175 -3.987 1.00 0.00 C ATOM 497 C ASN A 33 98.997 0.171 -5.327 1.00 0.00 C ATOM 498 O ASN A 33 100.154 -0.163 -5.590 1.00 0.00 O ATOM 499 CB ASN A 33 98.983 0.635 -2.839 1.00 0.00 C ATOM 500 CG ASN A 33 100.419 0.245 -2.523 1.00 0.00 C ATOM 501 OD1 ASN A 33 100.835 -0.896 -2.716 1.00 0.00 O ATOM 502 ND2 ASN A 33 101.186 1.195 -2.009 1.00 0.00 N ATOM 0 H ASN A 33 99.290 -1.887 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 33 97.299 0.095 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 33 98.953 1.694 -3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 33 98.377 0.507 -1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 33 102.154 0.990 -1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 33 100.809 2.131 -1.862 1.00 0.00 H new ATOM 509 N HIS A 34 98.234 0.848 -6.174 1.00 0.00 N ATOM 510 CA HIS A 34 98.663 1.121 -7.542 1.00 0.00 C ATOM 511 C HIS A 34 99.701 2.236 -7.600 1.00 0.00 C ATOM 512 O HIS A 34 100.412 2.372 -8.598 1.00 0.00 O ATOM 513 CB HIS A 34 97.463 1.462 -8.428 1.00 0.00 C ATOM 514 CG HIS A 34 96.615 0.273 -8.773 1.00 0.00 C ATOM 515 ND1 HIS A 34 96.521 -0.245 -10.048 1.00 0.00 N ATOM 516 CD2 HIS A 34 95.814 -0.496 -7.999 1.00 0.00 C ATOM 517 CE1 HIS A 34 95.699 -1.278 -10.041 1.00 0.00 C ATOM 518 NE2 HIS A 34 95.259 -1.454 -8.811 1.00 0.00 N ATOM 0 H HIS A 34 97.313 1.219 -5.939 1.00 0.00 H new ATOM 0 HA HIS A 34 99.133 0.213 -7.921 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.846 2.203 -7.920 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.821 1.922 -9.349 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.643 -0.378 -6.939 1.00 0.00 H new ATOM 0 HE1 HIS A 34 95.432 -1.878 -10.899 1.00 0.00 H new ATOM 0 HE2 HIS A 34 94.612 -2.183 -8.511 1.00 0.00 H new ATOM 527 N SER A 35 99.790 3.034 -6.543 1.00 0.00 N ATOM 528 CA SER A 35 100.816 4.063 -6.461 1.00 0.00 C ATOM 529 C SER A 35 102.197 3.412 -6.421 1.00 0.00 C ATOM 530 O SER A 35 103.123 3.852 -7.102 1.00 0.00 O ATOM 531 CB SER A 35 100.598 4.945 -5.227 1.00 0.00 C ATOM 532 OG SER A 35 101.544 6.001 -5.176 1.00 0.00 O ATOM 0 H SER A 35 99.168 2.988 -5.736 1.00 0.00 H new ATOM 0 HA SER A 35 100.751 4.698 -7.344 1.00 0.00 H new ATOM 0 HB2 SER A 35 99.589 5.358 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 35 100.678 4.338 -4.325 1.00 0.00 H new ATOM 0 HG SER A 35 101.381 6.548 -4.380 1.00 0.00 H new ATOM 538 N ALA A 36 102.322 2.338 -5.645 1.00 0.00 N ATOM 539 CA ALA A 36 103.572 1.601 -5.560 1.00 0.00 C ATOM 540 C ALA A 36 103.896 0.965 -6.905 1.00 0.00 C ATOM 541 O ALA A 36 105.047 0.954 -7.338 1.00 0.00 O ATOM 542 CB ALA A 36 103.498 0.542 -4.473 1.00 0.00 C ATOM 0 H ALA A 36 101.570 1.962 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 36 104.369 2.297 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.444 0.002 -4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.305 1.019 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.692 -0.156 -4.700 1.00 0.00 H new ATOM 548 N LYS A 37 102.858 0.456 -7.561 1.00 0.00 N ATOM 549 CA LYS A 37 102.989 -0.124 -8.892 1.00 0.00 C ATOM 550 C LYS A 37 103.541 0.907 -9.875 1.00 0.00 C ATOM 551 O LYS A 37 104.412 0.599 -10.686 1.00 0.00 O ATOM 552 CB LYS A 37 101.630 -0.635 -9.380 1.00 0.00 C ATOM 553 CG LYS A 37 101.658 -1.201 -10.790 1.00 0.00 C ATOM 554 CD LYS A 37 100.262 -1.550 -11.281 1.00 0.00 C ATOM 555 CE LYS A 37 100.281 -1.980 -12.737 1.00 0.00 C ATOM 556 NZ LYS A 37 98.912 -2.214 -13.270 1.00 0.00 N ATOM 0 H LYS A 37 101.909 0.434 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 37 103.686 -0.960 -8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.275 -1.406 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.910 0.182 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.111 -0.475 -11.465 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.286 -2.092 -10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.848 -2.351 -10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.606 -0.687 -11.163 1.00 0.00 H new ATOM 0 HE2 LYS A 37 100.776 -1.214 -13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 37 100.869 -2.892 -12.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 98.973 -2.506 -14.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 98.448 -2.963 -12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 98.357 -1.337 -13.199 1.00 0.00 H new ATOM 570 N LEU A 38 103.037 2.135 -9.779 1.00 0.00 N ATOM 571 CA LEU A 38 103.471 3.224 -10.652 1.00 0.00 C ATOM 572 C LEU A 38 104.973 3.454 -10.525 1.00 0.00 C ATOM 573 O LEU A 38 105.681 3.579 -11.522 1.00 0.00 O ATOM 574 CB LEU A 38 102.720 4.512 -10.303 1.00 0.00 C ATOM 575 CG LEU A 38 103.095 5.737 -11.142 1.00 0.00 C ATOM 576 CD1 LEU A 38 102.623 5.571 -12.581 1.00 0.00 C ATOM 577 CD2 LEU A 38 102.515 7.000 -10.523 1.00 0.00 C ATOM 0 H LEU A 38 102.323 2.402 -9.101 1.00 0.00 H new ATOM 0 HA LEU A 38 103.247 2.944 -11.681 1.00 0.00 H new ATOM 0 HB2 LEU A 38 101.651 4.331 -10.413 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.898 4.743 -9.253 1.00 0.00 H new ATOM 0 HG LEU A 38 104.181 5.828 -11.154 1.00 0.00 H new ATOM 0 HD11 LEU A 38 102.900 6.453 -13.159 1.00 0.00 H new ATOM 0 HD12 LEU A 38 103.091 4.689 -13.018 1.00 0.00 H new ATOM 0 HD13 LEU A 38 101.540 5.452 -12.597 1.00 0.00 H new ATOM 0 HD21 LEU A 38 102.790 7.862 -11.130 1.00 0.00 H new ATOM 0 HD22 LEU A 38 101.429 6.918 -10.480 1.00 0.00 H new ATOM 0 HD23 LEU A 38 102.910 7.126 -9.515 1.00 0.00 H new ATOM 589 N HIS A 39 105.459 3.485 -9.290 1.00 0.00 N ATOM 590 CA HIS A 39 106.878 3.718 -9.040 1.00 0.00 C ATOM 591 C HIS A 39 107.702 2.493 -9.431 1.00 0.00 C ATOM 592 O HIS A 39 108.875 2.610 -9.770 1.00 0.00 O ATOM 593 CB HIS A 39 107.127 4.076 -7.569 1.00 0.00 C ATOM 594 CG HIS A 39 106.523 5.386 -7.149 1.00 0.00 C ATOM 595 ND1 HIS A 39 107.130 6.604 -7.368 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.358 5.662 -6.515 1.00 0.00 C ATOM 597 CE1 HIS A 39 106.365 7.567 -6.891 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.285 7.024 -6.370 1.00 0.00 N ATOM 0 H HIS A 39 104.896 3.353 -8.450 1.00 0.00 H new ATOM 0 HA HIS A 39 107.191 4.561 -9.655 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.724 3.283 -6.939 1.00 0.00 H new ATOM 0 HB3 HIS A 39 108.202 4.109 -7.391 1.00 0.00 H new ATOM 0 HD2 HIS A 39 104.623 4.943 -6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 39 106.587 8.623 -6.923 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.519 7.533 -5.930 1.00 0.00 H new ATOM 607 N MET A 40 107.073 1.325 -9.395 1.00 0.00 N ATOM 608 CA MET A 40 107.743 0.080 -9.754 1.00 0.00 C ATOM 609 C MET A 40 107.929 -0.023 -11.267 1.00 0.00 C ATOM 610 O MET A 40 108.947 -0.517 -11.745 1.00 0.00 O ATOM 611 CB MET A 40 106.947 -1.116 -9.238 1.00 0.00 C ATOM 612 CG MET A 40 107.597 -2.451 -9.549 1.00 0.00 C ATOM 613 SD MET A 40 106.636 -3.848 -8.949 1.00 0.00 S ATOM 614 CE MET A 40 106.639 -3.539 -7.186 1.00 0.00 C ATOM 0 H MET A 40 106.097 1.213 -9.120 1.00 0.00 H new ATOM 0 HA MET A 40 108.728 0.077 -9.288 1.00 0.00 H new ATOM 0 HB2 MET A 40 106.824 -1.023 -8.159 1.00 0.00 H new ATOM 0 HB3 MET A 40 105.949 -1.095 -9.676 1.00 0.00 H new ATOM 0 HG2 MET A 40 107.730 -2.543 -10.627 1.00 0.00 H new ATOM 0 HG3 MET A 40 108.590 -2.480 -9.101 1.00 0.00 H new ATOM 0 HE1 MET A 40 106.238 -4.408 -6.664 1.00 0.00 H new ATOM 0 HE2 MET A 40 107.659 -3.353 -6.851 1.00 0.00 H new ATOM 0 HE3 MET A 40 106.021 -2.668 -6.968 1.00 0.00 H new ATOM 624 N VAL A 41 106.942 0.449 -12.019 1.00 0.00 N ATOM 625 CA VAL A 41 107.032 0.470 -13.477 1.00 0.00 C ATOM 626 C VAL A 41 108.133 1.434 -13.920 1.00 0.00 C ATOM 627 O VAL A 41 108.801 1.221 -14.934 1.00 0.00 O ATOM 628 CB VAL A 41 105.685 0.878 -14.121 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.797 0.944 -15.639 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.583 -0.092 -13.713 1.00 0.00 C ATOM 0 H VAL A 41 106.070 0.823 -11.645 1.00 0.00 H new ATOM 0 HA VAL A 41 107.275 -0.538 -13.812 1.00 0.00 H new ATOM 0 HB VAL A 41 105.429 1.873 -13.758 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.835 1.233 -16.063 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.552 1.680 -15.917 1.00 0.00 H new ATOM 0 HG13 VAL A 41 106.085 -0.034 -16.025 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.643 0.210 -14.175 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.843 -1.098 -14.043 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.474 -0.083 -12.629 1.00 0.00 H new ATOM 640 N ALA A 42 108.335 2.477 -13.124 1.00 0.00 N ATOM 641 CA ALA A 42 109.343 3.487 -13.416 1.00 0.00 C ATOM 642 C ALA A 42 110.712 3.090 -12.865 1.00 0.00 C ATOM 643 O ALA A 42 111.666 3.871 -12.929 1.00 0.00 O ATOM 644 CB ALA A 42 108.914 4.830 -12.850 1.00 0.00 C ATOM 0 H ALA A 42 107.810 2.645 -12.266 1.00 0.00 H new ATOM 0 HA ALA A 42 109.434 3.567 -14.499 1.00 0.00 H new ATOM 0 HB1 ALA A 42 109.674 5.579 -13.073 1.00 0.00 H new ATOM 0 HB2 ALA A 42 107.967 5.129 -13.300 1.00 0.00 H new ATOM 0 HB3 ALA A 42 108.792 4.748 -11.770 1.00 0.00 H new ATOM 650 N MET A 43 110.805 1.883 -12.322 1.00 0.00 N ATOM 651 CA MET A 43 112.074 1.368 -11.810 1.00 0.00 C ATOM 652 C MET A 43 113.006 0.952 -12.940 1.00 0.00 C ATOM 653 O MET A 43 112.635 0.976 -14.117 1.00 0.00 O ATOM 654 CB MET A 43 111.847 0.183 -10.871 1.00 0.00 C ATOM 655 CG MET A 43 111.398 0.581 -9.478 1.00 0.00 C ATOM 656 SD MET A 43 111.140 -0.843 -8.407 1.00 0.00 S ATOM 657 CE MET A 43 110.848 -0.027 -6.844 1.00 0.00 C ATOM 0 H MET A 43 110.019 1.241 -12.224 1.00 0.00 H new ATOM 0 HA MET A 43 112.545 2.178 -11.253 1.00 0.00 H new ATOM 0 HB2 MET A 43 111.098 -0.477 -11.309 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.771 -0.390 -10.795 1.00 0.00 H new ATOM 0 HG2 MET A 43 112.145 1.237 -9.032 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.473 1.153 -9.547 1.00 0.00 H new ATOM 0 HE1 MET A 43 110.413 -0.736 -6.139 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.792 0.347 -6.447 1.00 0.00 H new ATOM 0 HE3 MET A 43 110.161 0.806 -6.991 1.00 0.00 H new ATOM 667 N ARG A 44 114.212 0.556 -12.564 1.00 0.00 N ATOM 668 CA ARG A 44 115.256 0.223 -13.517 1.00 0.00 C ATOM 669 C ARG A 44 116.265 -0.720 -12.869 1.00 0.00 C ATOM 670 O ARG A 44 116.637 -0.534 -11.712 1.00 0.00 O ATOM 671 CB ARG A 44 115.941 1.516 -13.958 1.00 0.00 C ATOM 672 CG ARG A 44 117.145 1.336 -14.863 1.00 0.00 C ATOM 673 CD ARG A 44 117.969 2.619 -14.930 1.00 0.00 C ATOM 674 NE ARG A 44 117.236 3.738 -15.537 1.00 0.00 N ATOM 675 CZ ARG A 44 116.518 4.636 -14.851 1.00 0.00 C ATOM 676 NH1 ARG A 44 116.408 4.551 -13.527 1.00 0.00 N ATOM 677 NH2 ARG A 44 115.909 5.628 -15.490 1.00 0.00 N ATOM 0 H ARG A 44 114.493 0.457 -11.589 1.00 0.00 H new ATOM 0 HA ARG A 44 114.828 -0.278 -14.385 1.00 0.00 H new ATOM 0 HB2 ARG A 44 115.209 2.138 -14.474 1.00 0.00 H new ATOM 0 HB3 ARG A 44 116.254 2.063 -13.069 1.00 0.00 H new ATOM 0 HG2 ARG A 44 117.765 0.519 -14.493 1.00 0.00 H new ATOM 0 HG3 ARG A 44 116.815 1.058 -15.864 1.00 0.00 H new ATOM 0 HD2 ARG A 44 118.280 2.898 -13.923 1.00 0.00 H new ATOM 0 HD3 ARG A 44 118.877 2.432 -15.504 1.00 0.00 H new ATOM 0 HE ARG A 44 117.277 3.838 -16.551 1.00 0.00 H new ATOM 0 HH11 ARG A 44 116.874 3.796 -13.024 1.00 0.00 H new ATOM 0 HH12 ARG A 44 115.858 5.241 -13.016 1.00 0.00 H new ATOM 0 HH21 ARG A 44 115.988 5.706 -16.504 1.00 0.00 H new ATOM 0 HH22 ARG A 44 115.362 6.312 -14.967 1.00 0.00 H new ATOM 691 N ARG A 45 116.681 -1.746 -13.598 1.00 0.00 N ATOM 692 CA ARG A 45 117.707 -2.661 -13.109 1.00 0.00 C ATOM 693 C ARG A 45 119.019 -1.906 -12.880 1.00 0.00 C ATOM 694 O ARG A 45 119.633 -1.409 -13.829 1.00 0.00 O ATOM 695 CB ARG A 45 117.908 -3.804 -14.109 1.00 0.00 C ATOM 696 CG ARG A 45 119.038 -4.755 -13.753 1.00 0.00 C ATOM 697 CD ARG A 45 119.228 -5.808 -14.832 1.00 0.00 C ATOM 698 NE ARG A 45 118.603 -7.086 -14.493 1.00 0.00 N ATOM 699 CZ ARG A 45 117.802 -7.772 -15.309 1.00 0.00 C ATOM 700 NH1 ARG A 45 117.376 -7.235 -16.441 1.00 0.00 N ATOM 701 NH2 ARG A 45 117.391 -8.983 -14.962 1.00 0.00 N ATOM 0 H ARG A 45 116.326 -1.967 -14.528 1.00 0.00 H new ATOM 0 HA ARG A 45 117.384 -3.085 -12.158 1.00 0.00 H new ATOM 0 HB2 ARG A 45 116.981 -4.372 -14.185 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.103 -3.379 -15.094 1.00 0.00 H new ATOM 0 HG2 ARG A 45 119.963 -4.193 -13.622 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.823 -5.240 -12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 45 118.809 -5.441 -15.769 1.00 0.00 H new ATOM 0 HD3 ARG A 45 120.294 -5.963 -14.998 1.00 0.00 H new ATOM 0 HE ARG A 45 118.792 -7.479 -13.571 1.00 0.00 H new ATOM 0 HH11 ARG A 45 117.660 -6.289 -16.695 1.00 0.00 H new ATOM 0 HH12 ARG A 45 116.764 -7.767 -17.059 1.00 0.00 H new ATOM 0 HH21 ARG A 45 117.687 -9.387 -14.074 1.00 0.00 H new ATOM 0 HH22 ARG A 45 116.778 -9.511 -15.583 1.00 0.00 H new ATOM 715 N GLY A 46 119.449 -1.825 -11.625 1.00 0.00 N ATOM 716 CA GLY A 46 120.602 -1.014 -11.290 1.00 0.00 C ATOM 717 C GLY A 46 120.233 0.128 -10.366 1.00 0.00 C ATOM 718 O GLY A 46 121.106 0.786 -9.796 1.00 0.00 O ATOM 0 H GLY A 46 119.019 -2.307 -10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.360 -1.637 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 46 121.044 -0.615 -12.203 1.00 0.00 H new ATOM 722 N ASP A 47 118.933 0.374 -10.230 1.00 0.00 N ATOM 723 CA ASP A 47 118.443 1.378 -9.293 1.00 0.00 C ATOM 724 C ASP A 47 118.606 0.874 -7.869 1.00 0.00 C ATOM 725 O ASP A 47 118.532 -0.333 -7.615 1.00 0.00 O ATOM 726 CB ASP A 47 116.973 1.720 -9.556 1.00 0.00 C ATOM 727 CG ASP A 47 116.764 2.635 -10.749 1.00 0.00 C ATOM 728 OD1 ASP A 47 117.754 3.001 -11.428 1.00 0.00 O ATOM 729 OD2 ASP A 47 115.604 3.010 -11.007 1.00 0.00 O ATOM 0 H ASP A 47 118.203 -0.107 -10.755 1.00 0.00 H new ATOM 0 HA ASP A 47 119.031 2.285 -9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 47 116.417 0.796 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 47 116.555 2.194 -8.668 1.00 0.00 H new ATOM 734 N ARG A 48 118.826 1.793 -6.942 1.00 0.00 N ATOM 735 CA ARG A 48 119.131 1.427 -5.568 1.00 0.00 C ATOM 736 C ARG A 48 117.976 1.813 -4.652 1.00 0.00 C ATOM 737 O ARG A 48 117.381 2.875 -4.813 1.00 0.00 O ATOM 738 CB ARG A 48 120.418 2.123 -5.109 1.00 0.00 C ATOM 739 CG ARG A 48 121.521 2.142 -6.159 1.00 0.00 C ATOM 740 CD ARG A 48 121.945 0.744 -6.575 1.00 0.00 C ATOM 741 NE ARG A 48 122.691 0.055 -5.524 1.00 0.00 N ATOM 742 CZ ARG A 48 123.957 -0.342 -5.661 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.609 -0.099 -6.790 1.00 0.00 N ATOM 744 NH2 ARG A 48 124.568 -0.976 -4.669 1.00 0.00 N ATOM 0 H ARG A 48 118.799 2.798 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 48 119.276 0.348 -5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 48 120.183 3.149 -4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 48 120.790 1.623 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 48 121.176 2.690 -7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 48 122.384 2.679 -5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 48 121.061 0.160 -6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.559 0.805 -7.473 1.00 0.00 H new ATOM 0 HE ARG A 48 122.219 -0.132 -4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 48 124.142 0.391 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 48 125.577 -0.402 -6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.070 -1.161 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 48 125.536 -1.278 -4.777 1.00 0.00 H new ATOM 758 N ALA A 49 117.663 0.955 -3.694 1.00 0.00 N ATOM 759 CA ALA A 49 116.550 1.200 -2.789 1.00 0.00 C ATOM 760 C ALA A 49 116.971 1.017 -1.336 1.00 0.00 C ATOM 761 O ALA A 49 117.921 0.299 -1.048 1.00 0.00 O ATOM 762 CB ALA A 49 115.391 0.272 -3.122 1.00 0.00 C ATOM 0 H ALA A 49 118.163 0.083 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 49 116.229 2.233 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.564 0.464 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 49 115.065 0.451 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 49 115.713 -0.764 -3.020 1.00 0.00 H new ATOM 768 N PHE A 50 116.278 1.685 -0.429 1.00 0.00 N ATOM 769 CA PHE A 50 116.515 1.502 0.998 1.00 0.00 C ATOM 770 C PHE A 50 115.615 0.410 1.558 1.00 0.00 C ATOM 771 O PHE A 50 114.419 0.367 1.259 1.00 0.00 O ATOM 772 CB PHE A 50 116.272 2.798 1.776 1.00 0.00 C ATOM 773 CG PHE A 50 117.433 3.756 1.770 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.732 3.295 1.913 1.00 0.00 C ATOM 775 CD2 PHE A 50 117.223 5.121 1.643 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.799 4.173 1.927 1.00 0.00 C ATOM 777 CE2 PHE A 50 118.287 6.005 1.655 1.00 0.00 C ATOM 778 CZ PHE A 50 119.576 5.530 1.797 1.00 0.00 C ATOM 0 H PHE A 50 115.546 2.359 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 50 117.559 1.211 1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.400 3.301 1.357 1.00 0.00 H new ATOM 0 HB3 PHE A 50 116.029 2.547 2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.913 2.235 2.015 1.00 0.00 H new ATOM 0 HD2 PHE A 50 116.217 5.498 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.806 3.799 2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 50 118.110 7.066 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.408 6.218 1.806 1.00 0.00 H new ATOM 788 N TYR A 51 116.193 -0.475 2.358 1.00 0.00 N ATOM 789 CA TYR A 51 115.419 -1.501 3.039 1.00 0.00 C ATOM 790 C TYR A 51 115.040 -1.007 4.431 1.00 0.00 C ATOM 791 O TYR A 51 115.891 -0.907 5.319 1.00 0.00 O ATOM 792 CB TYR A 51 116.214 -2.808 3.135 1.00 0.00 C ATOM 793 CG TYR A 51 115.395 -3.998 3.596 1.00 0.00 C ATOM 794 CD1 TYR A 51 115.166 -4.233 4.946 1.00 0.00 C ATOM 795 CD2 TYR A 51 114.854 -4.888 2.676 1.00 0.00 C ATOM 796 CE1 TYR A 51 114.424 -5.320 5.367 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.110 -5.978 3.090 1.00 0.00 C ATOM 798 CZ TYR A 51 113.898 -6.187 4.436 1.00 0.00 C ATOM 799 OH TYR A 51 113.154 -7.269 4.856 1.00 0.00 O ATOM 0 H TYR A 51 117.194 -0.503 2.551 1.00 0.00 H new ATOM 0 HA TYR A 51 114.513 -1.700 2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.643 -3.032 2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 51 117.047 -2.665 3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 51 115.575 -3.554 5.679 1.00 0.00 H new ATOM 0 HD2 TYR A 51 115.017 -4.726 1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 51 114.258 -5.488 6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 51 113.697 -6.662 2.363 1.00 0.00 H new ATOM 0 HH TYR A 51 113.292 -8.020 4.241 1.00 0.00 H new ATOM 809 N TYR A 52 113.767 -0.691 4.608 1.00 0.00 N ATOM 810 CA TYR A 52 113.283 -0.104 5.849 1.00 0.00 C ATOM 811 C TYR A 52 112.426 -1.093 6.638 1.00 0.00 C ATOM 812 O TYR A 52 111.451 -1.640 6.120 1.00 0.00 O ATOM 813 CB TYR A 52 112.490 1.171 5.527 1.00 0.00 C ATOM 814 CG TYR A 52 111.740 1.766 6.697 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.403 2.485 7.682 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.365 1.611 6.810 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.715 3.030 8.750 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.671 2.152 7.872 1.00 0.00 C ATOM 819 CZ TYR A 52 110.349 2.859 8.839 1.00 0.00 C ATOM 820 OH TYR A 52 109.657 3.395 9.901 1.00 0.00 O ATOM 0 H TYR A 52 113.044 -0.832 3.902 1.00 0.00 H new ATOM 0 HA TYR A 52 114.138 0.149 6.476 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.178 1.921 5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.777 0.948 4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.472 2.621 7.613 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.829 1.057 6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.244 3.586 9.510 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.601 2.022 7.944 1.00 0.00 H new ATOM 0 HH TYR A 52 108.704 3.184 9.811 1.00 0.00 H new ATOM 830 N HIS A 53 112.801 -1.319 7.893 1.00 0.00 N ATOM 831 CA HIS A 53 112.009 -2.147 8.791 1.00 0.00 C ATOM 832 C HIS A 53 110.792 -1.366 9.261 1.00 0.00 C ATOM 833 O HIS A 53 110.922 -0.370 9.968 1.00 0.00 O ATOM 834 CB HIS A 53 112.833 -2.604 10.003 1.00 0.00 C ATOM 835 CG HIS A 53 113.705 -3.795 9.739 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.855 -4.065 10.449 1.00 0.00 N ATOM 837 CD2 HIS A 53 113.567 -4.814 8.857 1.00 0.00 C ATOM 838 CE1 HIS A 53 115.382 -5.194 10.016 1.00 0.00 C ATOM 839 NE2 HIS A 53 114.621 -5.672 9.051 1.00 0.00 N ATOM 0 H HIS A 53 113.650 -0.939 8.310 1.00 0.00 H new ATOM 0 HA HIS A 53 111.691 -3.036 8.245 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.459 -1.776 10.336 1.00 0.00 H new ATOM 0 HB3 HIS A 53 112.154 -2.839 10.822 1.00 0.00 H new ATOM 0 HD1 HIS A 53 115.239 -3.483 11.193 1.00 0.00 H new ATOM 0 HD2 HIS A 53 112.773 -4.930 8.134 1.00 0.00 H new ATOM 0 HE1 HIS A 53 116.286 -5.651 10.390 1.00 0.00 H new ATOM 848 N SER A 54 109.618 -1.811 8.854 1.00 0.00 N ATOM 849 CA SER A 54 108.386 -1.106 9.164 1.00 0.00 C ATOM 850 C SER A 54 107.748 -1.654 10.435 1.00 0.00 C ATOM 851 O SER A 54 107.747 -2.868 10.657 1.00 0.00 O ATOM 852 CB SER A 54 107.422 -1.232 7.990 1.00 0.00 C ATOM 853 OG SER A 54 108.065 -0.855 6.785 1.00 0.00 O ATOM 0 H SER A 54 109.490 -2.661 8.305 1.00 0.00 H new ATOM 0 HA SER A 54 108.616 -0.054 9.334 1.00 0.00 H new ATOM 0 HB2 SER A 54 107.063 -2.258 7.913 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.549 -0.601 8.158 1.00 0.00 H new ATOM 0 HG SER A 54 108.663 -0.098 6.956 1.00 0.00 H new ATOM 859 N ASN A 55 107.219 -0.739 11.257 1.00 0.00 N ATOM 860 CA ASN A 55 106.566 -1.077 12.529 1.00 0.00 C ATOM 861 C ASN A 55 107.568 -1.609 13.543 1.00 0.00 C ATOM 862 O ASN A 55 107.889 -0.938 14.527 1.00 0.00 O ATOM 863 CB ASN A 55 105.426 -2.087 12.321 1.00 0.00 C ATOM 864 CG ASN A 55 104.213 -1.458 11.660 1.00 0.00 C ATOM 865 OD1 ASN A 55 103.919 -0.281 11.867 1.00 0.00 O ATOM 866 ND2 ASN A 55 103.505 -2.231 10.851 1.00 0.00 N ATOM 0 H ASN A 55 107.232 0.261 11.058 1.00 0.00 H new ATOM 0 HA ASN A 55 106.138 -0.157 12.926 1.00 0.00 H new ATOM 0 HB2 ASN A 55 105.784 -2.914 11.707 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.135 -2.507 13.284 1.00 0.00 H new ATOM 0 HD21 ASN A 55 102.685 -1.855 10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 55 103.780 -3.202 10.704 1.00 0.00 H new ATOM 873 N GLU A 56 108.073 -2.803 13.293 1.00 0.00 N ATOM 874 CA GLU A 56 109.044 -3.421 14.172 1.00 0.00 C ATOM 875 C GLU A 56 110.426 -2.837 13.929 1.00 0.00 C ATOM 876 O GLU A 56 111.029 -3.049 12.872 1.00 0.00 O ATOM 877 CB GLU A 56 109.061 -4.936 13.963 1.00 0.00 C ATOM 878 CG GLU A 56 107.752 -5.613 14.334 1.00 0.00 C ATOM 879 CD GLU A 56 107.408 -5.433 15.799 1.00 0.00 C ATOM 880 OE1 GLU A 56 107.927 -6.204 16.634 1.00 0.00 O ATOM 881 OE2 GLU A 56 106.633 -4.513 16.127 1.00 0.00 O ATOM 0 H GLU A 56 107.823 -3.367 12.481 1.00 0.00 H new ATOM 0 HA GLU A 56 108.759 -3.216 15.204 1.00 0.00 H new ATOM 0 HB2 GLU A 56 109.287 -5.148 12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 56 109.866 -5.368 14.558 1.00 0.00 H new ATOM 0 HG2 GLU A 56 106.948 -5.205 13.721 1.00 0.00 H new ATOM 0 HG3 GLU A 56 107.818 -6.677 14.106 1.00 0.00 H new ATOM 888 N GLY A 57 110.907 -2.068 14.892 1.00 0.00 N ATOM 889 CA GLY A 57 112.232 -1.497 14.796 1.00 0.00 C ATOM 890 C GLY A 57 112.209 -0.089 14.245 1.00 0.00 C ATOM 891 O GLY A 57 112.687 0.843 14.893 1.00 0.00 O ATOM 0 H GLY A 57 110.399 -1.828 15.744 1.00 0.00 H new ATOM 0 HA2 GLY A 57 112.696 -1.492 15.782 1.00 0.00 H new ATOM 0 HA3 GLY A 57 112.851 -2.126 14.156 1.00 0.00 H new ATOM 895 N LYS A 58 111.629 0.058 13.052 1.00 0.00 N ATOM 896 CA LYS A 58 111.577 1.342 12.353 1.00 0.00 C ATOM 897 C LYS A 58 112.985 1.840 12.070 1.00 0.00 C ATOM 898 O LYS A 58 113.501 2.712 12.772 1.00 0.00 O ATOM 899 CB LYS A 58 110.812 2.395 13.159 1.00 0.00 C ATOM 900 CG LYS A 58 109.399 1.989 13.543 1.00 0.00 C ATOM 901 CD LYS A 58 108.726 3.082 14.355 1.00 0.00 C ATOM 902 CE LYS A 58 107.341 2.675 14.816 1.00 0.00 C ATOM 903 NZ LYS A 58 106.752 3.691 15.723 1.00 0.00 N ATOM 0 H LYS A 58 111.184 -0.707 12.545 1.00 0.00 H new ATOM 0 HA LYS A 58 111.047 1.184 11.414 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.372 2.617 14.067 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.767 3.317 12.579 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.817 1.787 12.644 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.425 1.065 14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 58 109.341 3.320 15.222 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.656 3.989 13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 58 106.693 2.539 13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 58 107.394 1.715 15.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 105.804 3.383 16.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 107.359 3.802 16.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 106.679 4.601 15.225 1.00 0.00 H new ATOM 917 N GLU A 59 113.608 1.279 11.047 1.00 0.00 N ATOM 918 CA GLU A 59 115.008 1.555 10.769 1.00 0.00 C ATOM 919 C GLU A 59 115.362 1.226 9.324 1.00 0.00 C ATOM 920 O GLU A 59 114.761 0.340 8.710 1.00 0.00 O ATOM 921 CB GLU A 59 115.887 0.719 11.698 1.00 0.00 C ATOM 922 CG GLU A 59 115.733 -0.772 11.454 1.00 0.00 C ATOM 923 CD GLU A 59 116.540 -1.629 12.399 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.431 -1.099 13.094 1.00 0.00 O ATOM 925 OE2 GLU A 59 116.291 -2.853 12.432 1.00 0.00 O ATOM 0 H GLU A 59 113.167 0.630 10.395 1.00 0.00 H new ATOM 0 HA GLU A 59 115.181 2.618 10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.930 1.001 11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.632 0.943 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 59 114.680 -1.039 11.545 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.031 -0.996 10.430 1.00 0.00 H new ATOM 932 N ILE A 60 116.330 1.946 8.790 1.00 0.00 N ATOM 933 CA ILE A 60 116.911 1.617 7.498 1.00 0.00 C ATOM 934 C ILE A 60 118.187 0.814 7.728 1.00 0.00 C ATOM 935 O ILE A 60 119.126 1.298 8.363 1.00 0.00 O ATOM 936 CB ILE A 60 117.223 2.884 6.673 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.947 3.712 6.479 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.828 2.505 5.326 1.00 0.00 C ATOM 939 CD1 ILE A 60 116.164 5.000 5.713 1.00 0.00 C ATOM 0 H ILE A 60 116.735 2.770 9.234 1.00 0.00 H new ATOM 0 HA ILE A 60 116.190 1.030 6.929 1.00 0.00 H new ATOM 0 HB ILE A 60 117.950 3.488 7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.209 3.107 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.526 3.948 7.456 1.00 0.00 H new ATOM 0 HG21 ILE A 60 118.042 3.409 4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.752 1.949 5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 60 117.123 1.885 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 60 115.216 5.530 5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.877 5.626 6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.555 4.772 4.721 1.00 0.00 H new ATOM 951 N VAL A 61 118.209 -0.420 7.240 1.00 0.00 N ATOM 952 CA VAL A 61 119.302 -1.334 7.560 1.00 0.00 C ATOM 953 C VAL A 61 120.291 -1.522 6.411 1.00 0.00 C ATOM 954 O VAL A 61 121.441 -1.889 6.645 1.00 0.00 O ATOM 955 CB VAL A 61 118.780 -2.717 8.002 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.117 -2.622 9.367 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.813 -3.283 6.974 1.00 0.00 C ATOM 0 H VAL A 61 117.492 -0.809 6.628 1.00 0.00 H new ATOM 0 HA VAL A 61 119.832 -0.859 8.386 1.00 0.00 H new ATOM 0 HB VAL A 61 119.629 -3.396 8.077 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.754 -3.606 9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 61 118.841 -2.266 10.099 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.279 -1.926 9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.458 -4.258 7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 61 116.965 -2.607 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.322 -3.390 6.016 1.00 0.00 H new ATOM 967 N GLY A 62 119.869 -1.280 5.178 1.00 0.00 N ATOM 968 CA GLY A 62 120.770 -1.506 4.066 1.00 0.00 C ATOM 969 C GLY A 62 120.215 -1.069 2.730 1.00 0.00 C ATOM 970 O GLY A 62 119.079 -0.595 2.640 1.00 0.00 O ATOM 0 H GLY A 62 118.940 -0.939 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.703 -0.974 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 62 121.013 -2.567 4.018 1.00 0.00 H new ATOM 974 N ILE A 63 121.028 -1.243 1.694 1.00 0.00 N ATOM 975 CA ILE A 63 120.676 -0.844 0.343 1.00 0.00 C ATOM 976 C ILE A 63 120.385 -2.069 -0.523 1.00 0.00 C ATOM 977 O ILE A 63 121.212 -2.979 -0.641 1.00 0.00 O ATOM 978 CB ILE A 63 121.806 -0.009 -0.326 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.986 1.349 0.365 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.527 0.197 -1.809 1.00 0.00 C ATOM 981 CD1 ILE A 63 122.782 1.293 1.650 1.00 0.00 C ATOM 0 H ILE A 63 121.953 -1.667 1.772 1.00 0.00 H new ATOM 0 HA ILE A 63 119.783 -0.224 0.419 1.00 0.00 H new ATOM 0 HB ILE A 63 122.732 -0.574 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 63 122.481 2.032 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 63 121.003 1.768 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.332 0.783 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.467 -0.771 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.582 0.727 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 63 122.862 2.295 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 63 122.279 0.638 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.780 0.906 1.443 1.00 0.00 H new ATOM 993 N ALA A 64 119.202 -2.083 -1.113 1.00 0.00 N ATOM 994 CA ALA A 64 118.811 -3.120 -2.051 1.00 0.00 C ATOM 995 C ALA A 64 118.993 -2.623 -3.483 1.00 0.00 C ATOM 996 O ALA A 64 119.121 -1.419 -3.716 1.00 0.00 O ATOM 997 CB ALA A 64 117.365 -3.529 -1.809 1.00 0.00 C ATOM 0 H ALA A 64 118.485 -1.375 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 64 119.447 -3.993 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 64 117.083 -4.307 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.260 -3.909 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.715 -2.664 -1.942 1.00 0.00 H new ATOM 1003 N GLU A 65 119.007 -3.541 -4.435 1.00 0.00 N ATOM 1004 CA GLU A 65 119.178 -3.187 -5.840 1.00 0.00 C ATOM 1005 C GLU A 65 118.134 -3.889 -6.695 1.00 0.00 C ATOM 1006 O GLU A 65 117.809 -5.057 -6.458 1.00 0.00 O ATOM 1007 CB GLU A 65 120.585 -3.567 -6.314 1.00 0.00 C ATOM 1008 CG GLU A 65 120.872 -3.259 -7.776 1.00 0.00 C ATOM 1009 CD GLU A 65 122.226 -3.789 -8.212 1.00 0.00 C ATOM 1010 OE1 GLU A 65 123.249 -3.156 -7.886 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.272 -4.863 -8.852 1.00 0.00 O ATOM 0 H GLU A 65 118.902 -4.541 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 65 119.048 -2.110 -5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.315 -3.043 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.734 -4.634 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.093 -3.698 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.836 -2.181 -7.933 1.00 0.00 H new ATOM 1018 N ILE A 66 117.599 -3.164 -7.666 1.00 0.00 N ATOM 1019 CA ILE A 66 116.660 -3.734 -8.619 1.00 0.00 C ATOM 1020 C ILE A 66 117.429 -4.534 -9.666 1.00 0.00 C ATOM 1021 O ILE A 66 118.164 -3.965 -10.468 1.00 0.00 O ATOM 1022 CB ILE A 66 115.836 -2.631 -9.326 1.00 0.00 C ATOM 1023 CG1 ILE A 66 115.247 -1.650 -8.303 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.731 -3.250 -10.171 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.313 -2.289 -7.298 1.00 0.00 C ATOM 0 H ILE A 66 117.801 -2.175 -7.815 1.00 0.00 H new ATOM 0 HA ILE A 66 115.972 -4.381 -8.075 1.00 0.00 H new ATOM 0 HB ILE A 66 116.504 -2.075 -9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.064 -1.167 -7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.708 -0.866 -8.836 1.00 0.00 H new ATOM 0 HG21 ILE A 66 114.162 -2.460 -10.661 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.172 -3.901 -10.926 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.067 -3.833 -9.532 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.941 -1.528 -6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.474 -2.747 -7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.851 -3.053 -6.736 1.00 0.00 H new ATOM 1037 N ILE A 67 117.277 -5.851 -9.651 1.00 0.00 N ATOM 1038 CA ILE A 67 118.033 -6.706 -10.561 1.00 0.00 C ATOM 1039 C ILE A 67 117.139 -7.340 -11.615 1.00 0.00 C ATOM 1040 O ILE A 67 117.500 -8.353 -12.217 1.00 0.00 O ATOM 1041 CB ILE A 67 118.799 -7.813 -9.812 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.864 -8.585 -8.878 1.00 0.00 C ATOM 1043 CG2 ILE A 67 119.961 -7.215 -9.042 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.532 -9.738 -8.161 1.00 0.00 C ATOM 0 H ILE A 67 116.644 -6.349 -9.026 1.00 0.00 H new ATOM 0 HA ILE A 67 118.754 -6.055 -11.054 1.00 0.00 H new ATOM 0 HB ILE A 67 119.195 -8.517 -10.543 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.456 -7.897 -8.138 1.00 0.00 H new ATOM 0 HG13 ILE A 67 117.023 -8.967 -9.456 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.495 -8.007 -8.517 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.639 -6.718 -9.735 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.585 -6.490 -8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.806 -10.236 -7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.916 -10.448 -8.893 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.356 -9.361 -7.554 1.00 0.00 H new ATOM 1056 N ARG A 68 115.987 -6.730 -11.846 1.00 0.00 N ATOM 1057 CA ARG A 68 115.074 -7.167 -12.895 1.00 0.00 C ATOM 1058 C ARG A 68 113.918 -6.190 -13.014 1.00 0.00 C ATOM 1059 O ARG A 68 113.311 -5.814 -12.009 1.00 0.00 O ATOM 1060 CB ARG A 68 114.550 -8.578 -12.609 1.00 0.00 C ATOM 1061 CG ARG A 68 113.591 -9.113 -13.664 1.00 0.00 C ATOM 1062 CD ARG A 68 113.319 -10.597 -13.467 1.00 0.00 C ATOM 1063 NE ARG A 68 114.458 -11.426 -13.871 1.00 0.00 N ATOM 1064 CZ ARG A 68 115.345 -11.953 -13.024 1.00 0.00 C ATOM 1065 NH1 ARG A 68 115.228 -11.741 -11.722 1.00 0.00 N ATOM 1066 NH2 ARG A 68 116.347 -12.695 -13.480 1.00 0.00 N ATOM 0 H ARG A 68 115.658 -5.923 -11.316 1.00 0.00 H new ATOM 0 HA ARG A 68 115.618 -7.192 -13.839 1.00 0.00 H new ATOM 0 HB2 ARG A 68 115.398 -9.258 -12.526 1.00 0.00 H new ATOM 0 HB3 ARG A 68 114.046 -8.577 -11.643 1.00 0.00 H new ATOM 0 HG2 ARG A 68 112.653 -8.561 -13.618 1.00 0.00 H new ATOM 0 HG3 ARG A 68 114.010 -8.947 -14.656 1.00 0.00 H new ATOM 0 HD2 ARG A 68 113.087 -10.786 -12.419 1.00 0.00 H new ATOM 0 HD3 ARG A 68 112.440 -10.884 -14.044 1.00 0.00 H new ATOM 0 HE ARG A 68 114.581 -11.613 -14.866 1.00 0.00 H new ATOM 0 HH11 ARG A 68 114.459 -11.174 -11.365 1.00 0.00 H new ATOM 0 HH12 ARG A 68 115.907 -12.145 -11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 68 116.442 -12.864 -14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 68 117.022 -13.096 -12.829 1.00 0.00 H new ATOM 1080 N GLU A 69 113.646 -5.764 -14.240 1.00 0.00 N ATOM 1081 CA GLU A 69 112.532 -4.867 -14.521 1.00 0.00 C ATOM 1082 C GLU A 69 111.202 -5.492 -14.097 1.00 0.00 C ATOM 1083 O GLU A 69 111.113 -6.700 -13.863 1.00 0.00 O ATOM 1084 CB GLU A 69 112.479 -4.505 -16.012 1.00 0.00 C ATOM 1085 CG GLU A 69 113.735 -3.826 -16.547 1.00 0.00 C ATOM 1086 CD GLU A 69 114.861 -4.802 -16.826 1.00 0.00 C ATOM 1087 OE1 GLU A 69 114.847 -5.438 -17.903 1.00 0.00 O ATOM 1088 OE2 GLU A 69 115.753 -4.944 -15.972 1.00 0.00 O ATOM 0 H GLU A 69 114.187 -6.028 -15.063 1.00 0.00 H new ATOM 0 HA GLU A 69 112.693 -3.957 -13.943 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.301 -5.414 -16.587 1.00 0.00 H new ATOM 0 HB3 GLU A 69 111.626 -3.848 -16.182 1.00 0.00 H new ATOM 0 HG2 GLU A 69 113.490 -3.291 -17.464 1.00 0.00 H new ATOM 0 HG3 GLU A 69 114.075 -3.083 -15.826 1.00 0.00 H new ATOM 1095 N ALA A 70 110.173 -4.661 -14.011 1.00 0.00 N ATOM 1096 CA ALA A 70 108.863 -5.097 -13.547 1.00 0.00 C ATOM 1097 C ALA A 70 108.191 -6.031 -14.549 1.00 0.00 C ATOM 1098 O ALA A 70 108.072 -5.711 -15.736 1.00 0.00 O ATOM 1099 CB ALA A 70 107.978 -3.891 -13.276 1.00 0.00 C ATOM 0 H ALA A 70 110.221 -3.673 -14.259 1.00 0.00 H new ATOM 0 HA ALA A 70 109.006 -5.655 -12.622 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.001 -4.227 -12.930 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.439 -3.266 -12.511 1.00 0.00 H new ATOM 0 HB3 ALA A 70 107.859 -3.314 -14.193 1.00 0.00 H new ATOM 1105 N TYR A 71 107.767 -7.186 -14.064 1.00 0.00 N ATOM 1106 CA TYR A 71 107.007 -8.132 -14.867 1.00 0.00 C ATOM 1107 C TYR A 71 105.704 -8.465 -14.142 1.00 0.00 C ATOM 1108 O TYR A 71 105.606 -8.234 -12.937 1.00 0.00 O ATOM 1109 CB TYR A 71 107.832 -9.402 -15.147 1.00 0.00 C ATOM 1110 CG TYR A 71 108.190 -10.217 -13.922 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.319 -9.922 -13.170 1.00 0.00 C ATOM 1112 CD2 TYR A 71 107.401 -11.291 -13.527 1.00 0.00 C ATOM 1113 CE1 TYR A 71 109.650 -10.670 -12.056 1.00 0.00 C ATOM 1114 CE2 TYR A 71 107.725 -12.043 -12.417 1.00 0.00 C ATOM 1115 CZ TYR A 71 108.849 -11.730 -11.685 1.00 0.00 C ATOM 1116 OH TYR A 71 109.175 -12.478 -10.576 1.00 0.00 O ATOM 0 H TYR A 71 107.938 -7.494 -13.107 1.00 0.00 H new ATOM 0 HA TYR A 71 106.773 -7.683 -15.832 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.273 -10.036 -15.835 1.00 0.00 H new ATOM 0 HB3 TYR A 71 108.753 -9.114 -15.655 1.00 0.00 H new ATOM 0 HD1 TYR A 71 109.949 -9.094 -13.460 1.00 0.00 H new ATOM 0 HD2 TYR A 71 106.520 -11.541 -14.099 1.00 0.00 H new ATOM 0 HE1 TYR A 71 110.530 -10.426 -11.480 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.100 -12.873 -12.123 1.00 0.00 H new ATOM 0 HH TYR A 71 108.509 -13.186 -10.451 1.00 0.00 H new ATOM 1126 N PRO A 72 104.684 -8.980 -14.859 1.00 0.00 N ATOM 1127 CA PRO A 72 103.369 -9.301 -14.284 1.00 0.00 C ATOM 1128 C PRO A 72 103.454 -10.045 -12.951 1.00 0.00 C ATOM 1129 O PRO A 72 104.267 -10.956 -12.784 1.00 0.00 O ATOM 1130 CB PRO A 72 102.702 -10.187 -15.352 1.00 0.00 C ATOM 1131 CG PRO A 72 103.740 -10.419 -16.402 1.00 0.00 C ATOM 1132 CD PRO A 72 104.715 -9.285 -16.291 1.00 0.00 C ATOM 0 HA PRO A 72 102.813 -8.392 -14.055 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.365 -11.130 -14.922 1.00 0.00 H new ATOM 0 HB3 PRO A 72 101.824 -9.697 -15.773 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.239 -11.376 -16.250 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.289 -10.448 -17.394 1.00 0.00 H new ATOM 0 HD2 PRO A 72 105.712 -9.573 -16.623 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.413 -8.429 -16.895 1.00 0.00 H new ATOM 1140 N ASP A 73 102.614 -9.629 -12.009 1.00 0.00 N ATOM 1141 CA ASP A 73 102.560 -10.231 -10.678 1.00 0.00 C ATOM 1142 C ASP A 73 102.228 -11.721 -10.776 1.00 0.00 C ATOM 1143 O ASP A 73 101.256 -12.106 -11.426 1.00 0.00 O ATOM 1144 CB ASP A 73 101.506 -9.512 -9.829 1.00 0.00 C ATOM 1145 CG ASP A 73 101.524 -9.949 -8.381 1.00 0.00 C ATOM 1146 OD1 ASP A 73 101.051 -11.064 -8.090 1.00 0.00 O ATOM 1147 OD2 ASP A 73 102.019 -9.178 -7.529 1.00 0.00 O ATOM 0 H ASP A 73 101.951 -8.866 -12.145 1.00 0.00 H new ATOM 0 HA ASP A 73 103.536 -10.126 -10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 73 101.675 -8.437 -9.882 1.00 0.00 H new ATOM 0 HB3 ASP A 73 100.518 -9.700 -10.249 1.00 0.00 H new ATOM 1152 N PRO A 74 103.034 -12.577 -10.124 1.00 0.00 N ATOM 1153 CA PRO A 74 102.892 -14.032 -10.216 1.00 0.00 C ATOM 1154 C PRO A 74 101.673 -14.577 -9.472 1.00 0.00 C ATOM 1155 O PRO A 74 101.306 -15.741 -9.650 1.00 0.00 O ATOM 1156 CB PRO A 74 104.182 -14.555 -9.582 1.00 0.00 C ATOM 1157 CG PRO A 74 104.598 -13.485 -8.635 1.00 0.00 C ATOM 1158 CD PRO A 74 104.155 -12.188 -9.252 1.00 0.00 C ATOM 0 HA PRO A 74 102.739 -14.348 -11.248 1.00 0.00 H new ATOM 0 HB2 PRO A 74 104.014 -15.499 -9.064 1.00 0.00 H new ATOM 0 HB3 PRO A 74 104.948 -14.737 -10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 74 104.138 -13.629 -7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.677 -13.496 -8.484 1.00 0.00 H new ATOM 0 HD2 PRO A 74 103.841 -11.471 -8.493 1.00 0.00 H new ATOM 0 HD3 PRO A 74 104.959 -11.720 -9.820 1.00 0.00 H new ATOM 1242 N PHE A 81 98.781 -6.440 -11.603 1.00 0.00 N ATOM 1243 CA PHE A 81 99.878 -5.867 -10.850 1.00 0.00 C ATOM 1244 C PHE A 81 101.195 -6.334 -11.453 1.00 0.00 C ATOM 1245 O PHE A 81 101.212 -7.236 -12.296 1.00 0.00 O ATOM 1246 CB PHE A 81 99.791 -6.276 -9.375 1.00 0.00 C ATOM 1247 CG PHE A 81 98.490 -5.907 -8.720 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.088 -4.583 -8.647 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.674 -6.883 -8.170 1.00 0.00 C ATOM 1250 CE1 PHE A 81 96.896 -4.240 -8.041 1.00 0.00 C ATOM 1251 CE2 PHE A 81 96.479 -6.546 -7.564 1.00 0.00 C ATOM 1252 CZ PHE A 81 96.090 -5.222 -7.498 1.00 0.00 C ATOM 0 HA PHE A 81 99.820 -4.780 -10.902 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.933 -7.354 -9.297 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.609 -5.806 -8.828 1.00 0.00 H new ATOM 0 HD1 PHE A 81 98.714 -3.811 -9.069 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.976 -7.919 -8.216 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.594 -3.204 -7.991 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.850 -7.316 -7.143 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.158 -4.955 -7.023 1.00 0.00 H new ATOM 1262 N VAL A 82 102.288 -5.719 -11.040 1.00 0.00 N ATOM 1263 CA VAL A 82 103.605 -6.102 -11.520 1.00 0.00 C ATOM 1264 C VAL A 82 104.547 -6.290 -10.345 1.00 0.00 C ATOM 1265 O VAL A 82 104.217 -5.923 -9.217 1.00 0.00 O ATOM 1266 CB VAL A 82 104.204 -5.062 -12.494 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.385 -4.982 -13.773 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.300 -3.693 -11.842 1.00 0.00 C ATOM 0 H VAL A 82 102.290 -4.949 -10.371 1.00 0.00 H new ATOM 0 HA VAL A 82 103.488 -7.038 -12.066 1.00 0.00 H new ATOM 0 HB VAL A 82 105.212 -5.390 -12.749 1.00 0.00 H new ATOM 0 HG11 VAL A 82 103.826 -4.243 -14.442 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.378 -5.956 -14.262 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.363 -4.689 -13.533 1.00 0.00 H new ATOM 0 HG21 VAL A 82 104.725 -2.982 -12.550 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.305 -3.360 -11.546 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.939 -3.754 -10.961 1.00 0.00 H new ATOM 1278 N CYS A 83 105.704 -6.867 -10.606 1.00 0.00 N ATOM 1279 CA CYS A 83 106.683 -7.108 -9.566 1.00 0.00 C ATOM 1280 C CYS A 83 108.094 -7.045 -10.131 1.00 0.00 C ATOM 1281 O CYS A 83 108.347 -7.502 -11.248 1.00 0.00 O ATOM 1282 CB CYS A 83 106.434 -8.472 -8.922 1.00 0.00 C ATOM 1283 SG CYS A 83 106.385 -9.838 -10.101 1.00 0.00 S ATOM 0 H CYS A 83 105.989 -7.179 -11.534 1.00 0.00 H new ATOM 0 HA CYS A 83 106.582 -6.331 -8.808 1.00 0.00 H new ATOM 0 HB2 CYS A 83 107.217 -8.665 -8.189 1.00 0.00 H new ATOM 0 HB3 CYS A 83 105.490 -8.440 -8.379 1.00 0.00 H new ATOM 0 HG CYS A 83 107.598 -10.174 -10.426 1.00 0.00 H new ATOM 1289 N VAL A 84 108.995 -6.448 -9.370 1.00 0.00 N ATOM 1290 CA VAL A 84 110.406 -6.443 -9.715 1.00 0.00 C ATOM 1291 C VAL A 84 111.143 -7.485 -8.891 1.00 0.00 C ATOM 1292 O VAL A 84 110.601 -8.008 -7.915 1.00 0.00 O ATOM 1293 CB VAL A 84 111.059 -5.064 -9.480 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.545 -4.045 -10.483 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.814 -4.585 -8.056 1.00 0.00 C ATOM 0 H VAL A 84 108.772 -5.958 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 84 110.478 -6.675 -10.777 1.00 0.00 H new ATOM 0 HB VAL A 84 112.134 -5.171 -9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 84 111.019 -3.081 -10.298 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.782 -4.378 -11.494 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.465 -3.944 -10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.283 -3.612 -7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.742 -4.500 -7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.241 -5.300 -7.353 1.00 0.00 H new ATOM 1305 N ASP A 85 112.364 -7.789 -9.280 1.00 0.00 N ATOM 1306 CA ASP A 85 113.184 -8.737 -8.539 1.00 0.00 C ATOM 1307 C ASP A 85 114.309 -7.977 -7.853 1.00 0.00 C ATOM 1308 O ASP A 85 115.089 -7.285 -8.512 1.00 0.00 O ATOM 1309 CB ASP A 85 113.744 -9.805 -9.482 1.00 0.00 C ATOM 1310 CG ASP A 85 114.217 -11.054 -8.763 1.00 0.00 C ATOM 1311 OD1 ASP A 85 115.376 -11.083 -8.314 1.00 0.00 O ATOM 1312 OD2 ASP A 85 113.439 -12.032 -8.688 1.00 0.00 O ATOM 0 H ASP A 85 112.815 -7.395 -10.106 1.00 0.00 H new ATOM 0 HA ASP A 85 112.579 -9.243 -7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 85 112.976 -10.080 -10.205 1.00 0.00 H new ATOM 0 HB3 ASP A 85 114.576 -9.382 -10.045 1.00 0.00 H new ATOM 1317 N ILE A 86 114.371 -8.065 -6.534 1.00 0.00 N ATOM 1318 CA ILE A 86 115.314 -7.263 -5.767 1.00 0.00 C ATOM 1319 C ILE A 86 116.291 -8.131 -4.985 1.00 0.00 C ATOM 1320 O ILE A 86 115.977 -9.264 -4.616 1.00 0.00 O ATOM 1321 CB ILE A 86 114.590 -6.319 -4.781 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.763 -7.119 -3.766 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.708 -5.339 -5.540 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.123 -6.263 -2.693 1.00 0.00 C ATOM 0 H ILE A 86 113.783 -8.681 -5.973 1.00 0.00 H new ATOM 0 HA ILE A 86 115.867 -6.669 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 86 115.342 -5.754 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 86 112.983 -7.665 -4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.405 -7.861 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 86 113.204 -4.680 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.323 -4.744 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.964 -5.890 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.555 -6.897 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.899 -5.737 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.454 -5.538 -3.157 1.00 0.00 H new ATOM 1336 N LYS A 87 117.469 -7.585 -4.730 1.00 0.00 N ATOM 1337 CA LYS A 87 118.482 -8.265 -3.936 1.00 0.00 C ATOM 1338 C LYS A 87 118.962 -7.341 -2.828 1.00 0.00 C ATOM 1339 O LYS A 87 118.766 -6.129 -2.902 1.00 0.00 O ATOM 1340 CB LYS A 87 119.682 -8.654 -4.804 1.00 0.00 C ATOM 1341 CG LYS A 87 120.581 -7.472 -5.141 1.00 0.00 C ATOM 1342 CD LYS A 87 121.745 -7.867 -6.029 1.00 0.00 C ATOM 1343 CE LYS A 87 122.714 -6.708 -6.194 1.00 0.00 C ATOM 1344 NZ LYS A 87 123.572 -6.851 -7.396 1.00 0.00 N ATOM 0 H LYS A 87 117.750 -6.663 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 87 118.039 -9.167 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.268 -9.413 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.323 -9.106 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.992 -6.702 -5.639 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.963 -7.035 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.264 -8.723 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.374 -8.179 -7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 87 122.153 -5.776 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 87 123.345 -6.637 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 124.562 -6.658 -7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 123.492 -7.820 -7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 123.264 -6.176 -8.125 1.00 0.00 H new ATOM 1358 N ALA A 88 119.584 -7.905 -1.810 1.00 0.00 N ATOM 1359 CA ALA A 88 120.257 -7.104 -0.805 1.00 0.00 C ATOM 1360 C ALA A 88 121.721 -6.970 -1.184 1.00 0.00 C ATOM 1361 O ALA A 88 122.447 -7.964 -1.254 1.00 0.00 O ATOM 1362 CB ALA A 88 120.109 -7.719 0.576 1.00 0.00 C ATOM 0 H ALA A 88 119.637 -8.912 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 88 119.799 -6.116 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 88 120.623 -7.097 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.052 -7.784 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 88 120.545 -8.718 0.578 1.00 0.00 H new ATOM 1368 N ASP A 89 122.144 -5.748 -1.460 1.00 0.00 N ATOM 1369 CA ASP A 89 123.494 -5.511 -1.951 1.00 0.00 C ATOM 1370 C ASP A 89 124.466 -5.317 -0.798 1.00 0.00 C ATOM 1371 O ASP A 89 125.386 -6.112 -0.610 1.00 0.00 O ATOM 1372 CB ASP A 89 123.527 -4.294 -2.873 1.00 0.00 C ATOM 1373 CG ASP A 89 124.909 -4.042 -3.442 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.262 -4.669 -4.458 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.641 -3.200 -2.885 1.00 0.00 O ATOM 0 H ASP A 89 121.576 -4.907 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 89 123.801 -6.390 -2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.821 -4.441 -3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.197 -3.414 -2.321 1.00 0.00 H new ATOM 1380 N LYS A 90 124.258 -4.266 -0.021 1.00 0.00 N ATOM 1381 CA LYS A 90 125.132 -3.977 1.105 1.00 0.00 C ATOM 1382 C LYS A 90 124.349 -3.344 2.248 1.00 0.00 C ATOM 1383 O LYS A 90 123.490 -2.490 2.027 1.00 0.00 O ATOM 1384 CB LYS A 90 126.289 -3.063 0.679 1.00 0.00 C ATOM 1385 CG LYS A 90 125.857 -1.692 0.168 1.00 0.00 C ATOM 1386 CD LYS A 90 127.055 -0.807 -0.157 1.00 0.00 C ATOM 1387 CE LYS A 90 127.598 -1.046 -1.564 1.00 0.00 C ATOM 1388 NZ LYS A 90 127.953 -2.469 -1.817 1.00 0.00 N ATOM 0 H LYS A 90 123.495 -3.601 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 90 125.551 -4.920 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.958 -2.926 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 90 126.862 -3.563 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 90 125.242 -1.813 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 90 125.237 -1.203 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 90 126.767 0.239 -0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 90 127.846 -0.992 0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 90 126.853 -0.728 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 90 128.480 -0.425 -1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 128.527 -2.535 -2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 128.496 -2.840 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 127.084 -3.028 -1.935 1.00 0.00 H new ATOM 1402 N PRO A 91 124.613 -3.785 3.480 1.00 0.00 N ATOM 1403 CA PRO A 91 124.006 -3.213 4.678 1.00 0.00 C ATOM 1404 C PRO A 91 124.669 -1.901 5.075 1.00 0.00 C ATOM 1405 O PRO A 91 125.756 -1.575 4.596 1.00 0.00 O ATOM 1406 CB PRO A 91 124.246 -4.279 5.762 1.00 0.00 C ATOM 1407 CG PRO A 91 124.896 -5.437 5.069 1.00 0.00 C ATOM 1408 CD PRO A 91 125.515 -4.889 3.818 1.00 0.00 C ATOM 0 HA PRO A 91 122.952 -2.980 4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.885 -3.891 6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.307 -4.580 6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 91 125.651 -5.897 5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 91 124.164 -6.209 4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.535 -4.543 3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.558 -5.636 3.025 1.00 0.00 H new ATOM 1416 N LEU A 92 124.013 -1.150 5.943 1.00 0.00 N ATOM 1417 CA LEU A 92 124.579 0.087 6.452 1.00 0.00 C ATOM 1418 C LEU A 92 125.537 -0.204 7.596 1.00 0.00 C ATOM 1419 O LEU A 92 125.363 -1.177 8.331 1.00 0.00 O ATOM 1420 CB LEU A 92 123.477 1.038 6.926 1.00 0.00 C ATOM 1421 CG LEU A 92 122.675 1.710 5.812 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.549 2.548 6.398 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.588 2.573 4.952 1.00 0.00 C ATOM 0 H LEU A 92 123.088 -1.375 6.310 1.00 0.00 H new ATOM 0 HA LEU A 92 125.125 0.568 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.789 0.482 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.929 1.813 7.545 1.00 0.00 H new ATOM 0 HG LEU A 92 122.236 0.935 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.988 3.019 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.883 1.908 6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.968 3.318 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 92 123.004 3.046 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 92 124.051 3.342 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.364 1.950 4.506 1.00 0.00 H new ATOM 1435 N LYS A 93 126.546 0.642 7.741 1.00 0.00 N ATOM 1436 CA LYS A 93 127.519 0.490 8.811 1.00 0.00 C ATOM 1437 C LYS A 93 126.842 0.750 10.156 1.00 0.00 C ATOM 1438 O LYS A 93 127.174 0.142 11.174 1.00 0.00 O ATOM 1439 CB LYS A 93 128.685 1.461 8.597 1.00 0.00 C ATOM 1440 CG LYS A 93 129.963 1.072 9.326 1.00 0.00 C ATOM 1441 CD LYS A 93 131.075 2.081 9.071 1.00 0.00 C ATOM 1442 CE LYS A 93 132.428 1.569 9.537 1.00 0.00 C ATOM 1443 NZ LYS A 93 132.886 0.404 8.737 1.00 0.00 N ATOM 0 H LYS A 93 126.712 1.442 7.130 1.00 0.00 H new ATOM 0 HA LYS A 93 127.912 -0.527 8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.895 1.529 7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.381 2.455 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.768 1.006 10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 93 130.284 0.083 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 93 131.121 2.308 8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 93 130.843 3.013 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 93 133.164 2.370 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 93 132.367 1.286 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 133.907 0.265 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 132.374 -0.449 9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 132.698 0.579 7.729 1.00 0.00 H new ATOM 1457 N THR A 94 125.896 1.675 10.149 1.00 0.00 N ATOM 1458 CA THR A 94 125.074 1.947 11.311 1.00 0.00 C ATOM 1459 C THR A 94 123.620 2.156 10.885 1.00 0.00 C ATOM 1460 O THR A 94 123.305 3.124 10.193 1.00 0.00 O ATOM 1461 CB THR A 94 125.594 3.185 12.066 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.983 2.998 12.371 1.00 0.00 O ATOM 1463 CG2 THR A 94 124.815 3.414 13.353 1.00 0.00 C ATOM 0 H THR A 94 125.679 2.256 9.339 1.00 0.00 H new ATOM 0 HA THR A 94 125.126 1.090 11.983 1.00 0.00 H new ATOM 0 HB THR A 94 125.461 4.061 11.431 1.00 0.00 H new ATOM 0 HG1 THR A 94 127.321 3.783 12.850 1.00 0.00 H new ATOM 0 HG21 THR A 94 125.206 4.295 13.863 1.00 0.00 H new ATOM 0 HG22 THR A 94 123.762 3.568 13.118 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.919 2.544 14.001 1.00 0.00 H new ATOM 1471 N PRO A 95 122.722 1.230 11.263 1.00 0.00 N ATOM 1472 CA PRO A 95 121.297 1.317 10.926 1.00 0.00 C ATOM 1473 C PRO A 95 120.651 2.588 11.480 1.00 0.00 C ATOM 1474 O PRO A 95 120.908 2.981 12.621 1.00 0.00 O ATOM 1475 CB PRO A 95 120.685 0.071 11.579 1.00 0.00 C ATOM 1476 CG PRO A 95 121.682 -0.363 12.597 1.00 0.00 C ATOM 1477 CD PRO A 95 123.024 0.023 12.049 1.00 0.00 C ATOM 0 HA PRO A 95 121.138 1.360 9.849 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.724 0.299 12.040 1.00 0.00 H new ATOM 0 HB3 PRO A 95 120.507 -0.713 10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.498 0.122 13.556 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.624 -1.438 12.767 1.00 0.00 H new ATOM 0 HD2 PRO A 95 123.742 0.227 12.844 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.450 -0.766 11.430 1.00 0.00 H new ATOM 1485 N VAL A 96 119.808 3.215 10.673 1.00 0.00 N ATOM 1486 CA VAL A 96 119.213 4.493 11.040 1.00 0.00 C ATOM 1487 C VAL A 96 117.741 4.326 11.395 1.00 0.00 C ATOM 1488 O VAL A 96 116.924 3.976 10.544 1.00 0.00 O ATOM 1489 CB VAL A 96 119.344 5.525 9.900 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.830 6.886 10.341 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.786 5.633 9.433 1.00 0.00 C ATOM 0 H VAL A 96 119.520 2.861 9.761 1.00 0.00 H new ATOM 0 HA VAL A 96 119.757 4.859 11.911 1.00 0.00 H new ATOM 0 HB VAL A 96 118.735 5.180 9.064 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.933 7.597 9.521 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.780 6.805 10.622 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.409 7.234 11.197 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.854 6.366 8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.415 5.948 10.265 1.00 0.00 H new ATOM 0 HG23 VAL A 96 121.124 4.663 9.069 1.00 0.00 H new ATOM 1501 N THR A 97 117.417 4.569 12.653 1.00 0.00 N ATOM 1502 CA THR A 97 116.050 4.459 13.133 1.00 0.00 C ATOM 1503 C THR A 97 115.192 5.621 12.640 1.00 0.00 C ATOM 1504 O THR A 97 115.707 6.695 12.322 1.00 0.00 O ATOM 1505 CB THR A 97 116.005 4.401 14.674 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.866 5.407 15.225 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.420 3.029 15.183 1.00 0.00 C ATOM 0 H THR A 97 118.090 4.847 13.367 1.00 0.00 H new ATOM 0 HA THR A 97 115.644 3.530 12.732 1.00 0.00 H new ATOM 0 HB THR A 97 114.979 4.586 14.992 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.832 5.367 16.204 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.379 3.017 16.272 1.00 0.00 H new ATOM 0 HG22 THR A 97 115.742 2.273 14.786 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.437 2.812 14.856 1.00 0.00 H new ATOM 1515 N LEU A 98 113.883 5.394 12.578 1.00 0.00 N ATOM 1516 CA LEU A 98 112.936 6.402 12.109 1.00 0.00 C ATOM 1517 C LEU A 98 113.059 7.691 12.925 1.00 0.00 C ATOM 1518 O LEU A 98 113.006 8.793 12.377 1.00 0.00 O ATOM 1519 CB LEU A 98 111.505 5.860 12.200 1.00 0.00 C ATOM 1520 CG LEU A 98 110.423 6.747 11.579 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.588 6.821 10.069 1.00 0.00 C ATOM 1522 CD2 LEU A 98 109.039 6.228 11.939 1.00 0.00 C ATOM 0 H LEU A 98 113.450 4.511 12.850 1.00 0.00 H new ATOM 0 HA LEU A 98 113.169 6.631 11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.473 4.885 11.715 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.261 5.701 13.251 1.00 0.00 H new ATOM 0 HG LEU A 98 110.532 7.753 11.984 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.809 7.456 9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.566 7.240 9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.508 5.820 9.645 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.281 6.870 11.490 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.923 5.211 11.563 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.920 6.230 13.022 1.00 0.00 H new ATOM 1534 N ALA A 99 113.253 7.539 14.231 1.00 0.00 N ATOM 1535 CA ALA A 99 113.384 8.684 15.126 1.00 0.00 C ATOM 1536 C ALA A 99 114.663 9.465 14.836 1.00 0.00 C ATOM 1537 O ALA A 99 114.735 10.669 15.076 1.00 0.00 O ATOM 1538 CB ALA A 99 113.360 8.221 16.572 1.00 0.00 C ATOM 0 H ALA A 99 113.323 6.633 14.694 1.00 0.00 H new ATOM 0 HA ALA A 99 112.539 9.351 14.954 1.00 0.00 H new ATOM 0 HB1 ALA A 99 113.458 9.083 17.232 1.00 0.00 H new ATOM 0 HB2 ALA A 99 112.417 7.714 16.776 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.187 7.533 16.748 1.00 0.00 H new ATOM 1544 N ALA A 100 115.662 8.776 14.305 1.00 0.00 N ATOM 1545 CA ALA A 100 116.924 9.406 13.954 1.00 0.00 C ATOM 1546 C ALA A 100 116.791 10.147 12.632 1.00 0.00 C ATOM 1547 O ALA A 100 117.498 11.117 12.376 1.00 0.00 O ATOM 1548 CB ALA A 100 118.040 8.374 13.878 1.00 0.00 C ATOM 0 H ALA A 100 115.622 7.776 14.107 1.00 0.00 H new ATOM 0 HA ALA A 100 117.180 10.124 14.733 1.00 0.00 H new ATOM 0 HB1 ALA A 100 118.975 8.868 13.614 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.149 7.884 14.846 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.796 7.630 13.120 1.00 0.00 H new ATOM 1554 N VAL A 101 115.870 9.690 11.794 1.00 0.00 N ATOM 1555 CA VAL A 101 115.594 10.361 10.532 1.00 0.00 C ATOM 1556 C VAL A 101 114.780 11.630 10.792 1.00 0.00 C ATOM 1557 O VAL A 101 114.814 12.579 10.020 1.00 0.00 O ATOM 1558 CB VAL A 101 114.839 9.440 9.546 1.00 0.00 C ATOM 1559 CG1 VAL A 101 114.744 10.075 8.164 1.00 0.00 C ATOM 1560 CG2 VAL A 101 115.510 8.078 9.458 1.00 0.00 C ATOM 0 H VAL A 101 115.303 8.860 11.965 1.00 0.00 H new ATOM 0 HA VAL A 101 116.548 10.622 10.074 1.00 0.00 H new ATOM 0 HB VAL A 101 113.827 9.304 9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 101 114.208 9.405 7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 101 114.209 11.022 8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 101 115.747 10.253 7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.962 7.447 8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 101 116.536 8.200 9.110 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.514 7.610 10.442 1.00 0.00 H new ATOM 1570 N LYS A 102 114.062 11.651 11.909 1.00 0.00 N ATOM 1571 CA LYS A 102 113.318 12.843 12.305 1.00 0.00 C ATOM 1572 C LYS A 102 114.224 13.836 13.035 1.00 0.00 C ATOM 1573 O LYS A 102 113.769 14.892 13.472 1.00 0.00 O ATOM 1574 CB LYS A 102 112.125 12.491 13.203 1.00 0.00 C ATOM 1575 CG LYS A 102 110.885 12.014 12.454 1.00 0.00 C ATOM 1576 CD LYS A 102 109.679 11.970 13.381 1.00 0.00 C ATOM 1577 CE LYS A 102 108.390 11.652 12.638 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.381 10.274 12.078 1.00 0.00 N ATOM 0 H LYS A 102 113.979 10.864 12.552 1.00 0.00 H new ATOM 0 HA LYS A 102 112.943 13.302 11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.431 11.714 13.904 1.00 0.00 H new ATOM 0 HB3 LYS A 102 111.861 13.368 13.794 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.681 12.681 11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.065 11.023 12.037 1.00 0.00 H new ATOM 0 HD2 LYS A 102 109.845 11.219 14.154 1.00 0.00 H new ATOM 0 HD3 LYS A 102 109.577 12.930 13.886 1.00 0.00 H new ATOM 0 HE2 LYS A 102 107.545 11.771 13.316 1.00 0.00 H new ATOM 0 HE3 LYS A 102 108.254 12.370 11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 107.463 10.089 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 109.139 10.181 11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.535 9.587 12.844 1.00 0.00 H new ATOM 1592 N ALA A 103 115.505 13.493 13.170 1.00 0.00 N ATOM 1593 CA ALA A 103 116.454 14.348 13.881 1.00 0.00 C ATOM 1594 C ALA A 103 116.612 15.712 13.210 1.00 0.00 C ATOM 1595 O ALA A 103 116.546 16.747 13.879 1.00 0.00 O ATOM 1596 CB ALA A 103 117.806 13.662 14.005 1.00 0.00 C ATOM 0 H ALA A 103 115.908 12.633 12.798 1.00 0.00 H new ATOM 0 HA ALA A 103 116.049 14.517 14.878 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.498 14.315 14.537 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.691 12.729 14.556 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.199 13.450 13.011 1.00 0.00 H new ATOM 1602 N GLU A 104 116.818 15.718 11.896 1.00 0.00 N ATOM 1603 CA GLU A 104 117.035 16.967 11.176 1.00 0.00 C ATOM 1604 C GLU A 104 115.953 17.198 10.121 1.00 0.00 C ATOM 1605 O GLU A 104 115.444 16.252 9.516 1.00 0.00 O ATOM 1606 CB GLU A 104 118.439 17.007 10.559 1.00 0.00 C ATOM 1607 CG GLU A 104 118.758 15.859 9.617 1.00 0.00 C ATOM 1608 CD GLU A 104 120.216 15.859 9.201 1.00 0.00 C ATOM 1609 OE1 GLU A 104 120.565 16.542 8.213 1.00 0.00 O ATOM 1610 OE2 GLU A 104 121.027 15.194 9.877 1.00 0.00 O ATOM 0 H GLU A 104 116.839 14.881 11.314 1.00 0.00 H new ATOM 0 HA GLU A 104 116.965 17.783 11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 104 118.555 17.945 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 104 119.174 17.012 11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 104 118.519 14.913 10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 104 118.127 15.930 8.731 1.00 0.00 H new ATOM 1617 N PRO A 105 115.602 18.479 9.891 1.00 0.00 N ATOM 1618 CA PRO A 105 114.453 18.877 9.058 1.00 0.00 C ATOM 1619 C PRO A 105 114.452 18.288 7.648 1.00 0.00 C ATOM 1620 O PRO A 105 113.395 17.917 7.135 1.00 0.00 O ATOM 1621 CB PRO A 105 114.577 20.401 8.986 1.00 0.00 C ATOM 1622 CG PRO A 105 115.341 20.778 10.205 1.00 0.00 C ATOM 1623 CD PRO A 105 116.305 19.654 10.443 1.00 0.00 C ATOM 0 HA PRO A 105 113.524 18.510 9.495 1.00 0.00 H new ATOM 0 HB2 PRO A 105 115.098 20.713 8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 105 113.597 20.877 8.970 1.00 0.00 H new ATOM 0 HG2 PRO A 105 115.867 21.722 10.061 1.00 0.00 H new ATOM 0 HG3 PRO A 105 114.676 20.911 11.058 1.00 0.00 H new ATOM 0 HD2 PRO A 105 117.256 19.827 9.939 1.00 0.00 H new ATOM 0 HD3 PRO A 105 116.524 19.530 11.504 1.00 0.00 H new ATOM 1631 N ARG A 106 115.621 18.200 7.018 1.00 0.00 N ATOM 1632 CA ARG A 106 115.698 17.726 5.637 1.00 0.00 C ATOM 1633 C ARG A 106 115.337 16.247 5.537 1.00 0.00 C ATOM 1634 O ARG A 106 114.750 15.809 4.549 1.00 0.00 O ATOM 1635 CB ARG A 106 117.081 17.985 5.033 1.00 0.00 C ATOM 1636 CG ARG A 106 117.154 17.613 3.559 1.00 0.00 C ATOM 1637 CD ARG A 106 118.350 18.239 2.864 1.00 0.00 C ATOM 1638 NE ARG A 106 119.622 17.790 3.416 1.00 0.00 N ATOM 1639 CZ ARG A 106 120.486 17.023 2.754 1.00 0.00 C ATOM 1640 NH1 ARG A 106 120.148 16.480 1.594 1.00 0.00 N ATOM 1641 NH2 ARG A 106 121.678 16.770 3.274 1.00 0.00 N ATOM 0 H ARG A 106 116.518 18.447 7.435 1.00 0.00 H new ATOM 0 HA ARG A 106 114.967 18.293 5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 106 117.334 19.039 5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.828 17.414 5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 106 117.208 16.529 3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 106 116.239 17.932 3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 106 118.315 17.998 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 106 118.286 19.324 2.947 1.00 0.00 H new ATOM 0 HE ARG A 106 119.864 18.080 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 106 119.221 16.648 1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 106 120.815 15.893 1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 106 121.933 17.163 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 106 122.341 16.183 2.768 1.00 0.00 H new ATOM 1655 N LEU A 107 115.660 15.483 6.569 1.00 0.00 N ATOM 1656 CA LEU A 107 115.325 14.070 6.590 1.00 0.00 C ATOM 1657 C LEU A 107 113.852 13.886 6.931 1.00 0.00 C ATOM 1658 O LEU A 107 113.222 12.910 6.523 1.00 0.00 O ATOM 1659 CB LEU A 107 116.203 13.320 7.592 1.00 0.00 C ATOM 1660 CG LEU A 107 117.625 13.022 7.126 1.00 0.00 C ATOM 1661 CD1 LEU A 107 118.409 12.328 8.230 1.00 0.00 C ATOM 1662 CD2 LEU A 107 117.601 12.167 5.867 1.00 0.00 C ATOM 0 H LEU A 107 116.151 15.817 7.398 1.00 0.00 H new ATOM 0 HA LEU A 107 115.511 13.656 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 107 116.255 13.904 8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 107 115.716 12.377 7.841 1.00 0.00 H new ATOM 0 HG LEU A 107 118.120 13.964 6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 107 119.421 12.122 7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 107 118.451 12.973 9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 107 117.917 11.391 8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.623 11.963 5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 107 117.091 11.226 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 107 117.072 12.699 5.076 1.00 0.00 H new ATOM 1674 N ALA A 108 113.302 14.850 7.654 1.00 0.00 N ATOM 1675 CA ALA A 108 111.901 14.815 8.038 1.00 0.00 C ATOM 1676 C ALA A 108 111.002 15.204 6.867 1.00 0.00 C ATOM 1677 O ALA A 108 109.784 15.024 6.912 1.00 0.00 O ATOM 1678 CB ALA A 108 111.656 15.732 9.227 1.00 0.00 C ATOM 0 H ALA A 108 113.809 15.670 7.988 1.00 0.00 H new ATOM 0 HA ALA A 108 111.653 13.794 8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 108 110.602 15.696 9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.264 15.405 10.070 1.00 0.00 H new ATOM 0 HB3 ALA A 108 111.926 16.754 8.960 1.00 0.00 H new ATOM 1684 N ASP A 109 111.614 15.725 5.812 1.00 0.00 N ATOM 1685 CA ASP A 109 110.870 16.171 4.639 1.00 0.00 C ATOM 1686 C ASP A 109 110.871 15.091 3.556 1.00 0.00 C ATOM 1687 O ASP A 109 110.348 15.283 2.461 1.00 0.00 O ATOM 1688 CB ASP A 109 111.466 17.477 4.102 1.00 0.00 C ATOM 1689 CG ASP A 109 110.652 18.081 2.973 1.00 0.00 C ATOM 1690 OD1 ASP A 109 109.441 18.337 3.169 1.00 0.00 O ATOM 1691 OD2 ASP A 109 111.222 18.322 1.889 1.00 0.00 O ATOM 0 H ASP A 109 112.624 15.850 5.743 1.00 0.00 H new ATOM 0 HA ASP A 109 109.836 16.355 4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 109 111.539 18.198 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 109 112.481 17.289 3.751 1.00 0.00 H new ATOM 1696 N MET A 110 111.446 13.941 3.869 1.00 0.00 N ATOM 1697 CA MET A 110 111.474 12.830 2.928 1.00 0.00 C ATOM 1698 C MET A 110 110.099 12.164 2.864 1.00 0.00 C ATOM 1699 O MET A 110 109.311 12.264 3.808 1.00 0.00 O ATOM 1700 CB MET A 110 112.530 11.803 3.346 1.00 0.00 C ATOM 1701 CG MET A 110 112.751 10.703 2.320 1.00 0.00 C ATOM 1702 SD MET A 110 113.738 9.339 2.950 1.00 0.00 S ATOM 1703 CE MET A 110 115.265 10.180 3.364 1.00 0.00 C ATOM 0 H MET A 110 111.898 13.752 4.763 1.00 0.00 H new ATOM 0 HA MET A 110 111.731 13.216 1.942 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.474 12.317 3.523 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.231 11.351 4.292 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.784 10.322 1.990 1.00 0.00 H new ATOM 0 HG3 MET A 110 113.243 11.125 1.444 1.00 0.00 H new ATOM 0 HE1 MET A 110 116.112 9.595 3.005 1.00 0.00 H new ATOM 0 HE2 MET A 110 115.278 11.163 2.894 1.00 0.00 H new ATOM 0 HE3 MET A 110 115.336 10.294 4.446 1.00 0.00 H new ATOM 1713 N ALA A 111 109.812 11.479 1.754 1.00 0.00 N ATOM 1714 CA ALA A 111 108.550 10.757 1.595 1.00 0.00 C ATOM 1715 C ALA A 111 108.376 9.705 2.690 1.00 0.00 C ATOM 1716 O ALA A 111 107.267 9.245 2.945 1.00 0.00 O ATOM 1717 CB ALA A 111 108.471 10.104 0.218 1.00 0.00 C ATOM 0 H ALA A 111 110.438 11.410 0.952 1.00 0.00 H new ATOM 0 HA ALA A 111 107.740 11.481 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.524 9.572 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.537 10.872 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 111 109.296 9.401 0.101 1.00 0.00 H new ATOM 1723 N LEU A 112 109.479 9.334 3.331 1.00 0.00 N ATOM 1724 CA LEU A 112 109.456 8.370 4.427 1.00 0.00 C ATOM 1725 C LEU A 112 108.573 8.866 5.573 1.00 0.00 C ATOM 1726 O LEU A 112 107.896 8.078 6.232 1.00 0.00 O ATOM 1727 CB LEU A 112 110.880 8.131 4.935 1.00 0.00 C ATOM 1728 CG LEU A 112 111.023 7.070 6.028 1.00 0.00 C ATOM 1729 CD1 LEU A 112 110.643 5.698 5.498 1.00 0.00 C ATOM 1730 CD2 LEU A 112 112.444 7.056 6.571 1.00 0.00 C ATOM 0 H LEU A 112 110.409 9.690 3.108 1.00 0.00 H new ATOM 0 HA LEU A 112 109.040 7.434 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 112 111.504 7.842 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.274 9.074 5.315 1.00 0.00 H new ATOM 0 HG LEU A 112 110.343 7.322 6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 112 110.752 4.959 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 112 109.608 5.714 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 112 111.296 5.436 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.529 6.296 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 112 113.140 6.829 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.682 8.033 6.992 1.00 0.00 H new ATOM 1742 N MET A 113 108.579 10.178 5.789 1.00 0.00 N ATOM 1743 CA MET A 113 107.817 10.786 6.876 1.00 0.00 C ATOM 1744 C MET A 113 106.438 11.217 6.395 1.00 0.00 C ATOM 1745 O MET A 113 105.482 11.263 7.171 1.00 0.00 O ATOM 1746 CB MET A 113 108.565 11.994 7.435 1.00 0.00 C ATOM 1747 CG MET A 113 109.922 11.645 8.008 1.00 0.00 C ATOM 1748 SD MET A 113 109.816 10.434 9.336 1.00 0.00 S ATOM 1749 CE MET A 113 111.552 10.116 9.613 1.00 0.00 C ATOM 0 H MET A 113 109.106 10.844 5.223 1.00 0.00 H new ATOM 0 HA MET A 113 107.697 10.041 7.662 1.00 0.00 H new ATOM 0 HB2 MET A 113 108.692 12.733 6.643 1.00 0.00 H new ATOM 0 HB3 MET A 113 107.959 12.460 8.212 1.00 0.00 H new ATOM 0 HG2 MET A 113 110.559 11.255 7.214 1.00 0.00 H new ATOM 0 HG3 MET A 113 110.399 12.551 8.383 1.00 0.00 H new ATOM 0 HE1 MET A 113 111.668 9.451 10.468 1.00 0.00 H new ATOM 0 HE2 MET A 113 111.982 9.647 8.728 1.00 0.00 H new ATOM 0 HE3 MET A 113 112.067 11.056 9.812 1.00 0.00 H new ATOM 1759 N LYS A 114 106.343 11.537 5.111 1.00 0.00 N ATOM 1760 CA LYS A 114 105.091 12.006 4.535 1.00 0.00 C ATOM 1761 C LYS A 114 104.155 10.841 4.243 1.00 0.00 C ATOM 1762 O LYS A 114 102.969 10.882 4.568 1.00 0.00 O ATOM 1763 CB LYS A 114 105.341 12.768 3.233 1.00 0.00 C ATOM 1764 CG LYS A 114 106.272 13.960 3.363 1.00 0.00 C ATOM 1765 CD LYS A 114 106.396 14.691 2.036 1.00 0.00 C ATOM 1766 CE LYS A 114 107.449 15.786 2.081 1.00 0.00 C ATOM 1767 NZ LYS A 114 107.155 16.821 3.106 1.00 0.00 N ATOM 0 H LYS A 114 107.118 11.480 4.450 1.00 0.00 H new ATOM 0 HA LYS A 114 104.630 12.670 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.757 12.078 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.384 13.113 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 114 105.894 14.641 4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 114 107.255 13.626 3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.649 13.977 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.432 15.126 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 114 108.422 15.341 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 114 107.517 16.259 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 107.856 17.586 3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 106.203 17.208 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 107.200 16.394 4.053 1.00 0.00 H new ATOM 1781 N TYR A 115 104.704 9.806 3.627 1.00 0.00 N ATOM 1782 CA TYR A 115 103.909 8.695 3.140 1.00 0.00 C ATOM 1783 C TYR A 115 104.207 7.411 3.902 1.00 0.00 C ATOM 1784 O TYR A 115 105.248 6.778 3.703 1.00 0.00 O ATOM 1785 CB TYR A 115 104.165 8.469 1.651 1.00 0.00 C ATOM 1786 CG TYR A 115 103.626 9.560 0.751 1.00 0.00 C ATOM 1787 CD1 TYR A 115 104.398 10.667 0.428 1.00 0.00 C ATOM 1788 CD2 TYR A 115 102.349 9.471 0.213 1.00 0.00 C ATOM 1789 CE1 TYR A 115 103.912 11.658 -0.404 1.00 0.00 C ATOM 1790 CE2 TYR A 115 101.856 10.457 -0.619 1.00 0.00 C ATOM 1791 CZ TYR A 115 102.640 11.547 -0.924 1.00 0.00 C ATOM 1792 OH TYR A 115 102.153 12.526 -1.759 1.00 0.00 O ATOM 0 H TYR A 115 105.705 9.714 3.453 1.00 0.00 H new ATOM 0 HA TYR A 115 102.862 8.954 3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 115 105.239 8.379 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 115 103.718 7.519 1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 115 105.395 10.756 0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 115 101.731 8.617 0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 115 104.525 12.514 -0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 115 100.860 10.373 -1.028 1.00 0.00 H new ATOM 0 HH TYR A 115 101.243 12.295 -2.038 1.00 0.00 H new ATOM 1802 N SER A 116 103.292 7.039 4.776 1.00 0.00 N ATOM 1803 CA SER A 116 103.361 5.766 5.465 1.00 0.00 C ATOM 1804 C SER A 116 102.668 4.689 4.632 1.00 0.00 C ATOM 1805 O SER A 116 103.021 3.513 4.689 1.00 0.00 O ATOM 1806 CB SER A 116 102.691 5.898 6.831 1.00 0.00 C ATOM 1807 OG SER A 116 101.462 6.596 6.710 1.00 0.00 O ATOM 0 H SER A 116 102.484 7.608 5.027 1.00 0.00 H new ATOM 0 HA SER A 116 104.403 5.478 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 116 102.516 4.909 7.255 1.00 0.00 H new ATOM 0 HB3 SER A 116 103.351 6.427 7.518 1.00 0.00 H new ATOM 0 HG SER A 116 101.041 6.673 7.592 1.00 0.00 H new ATOM 1813 N ARG A 117 101.697 5.124 3.833 1.00 0.00 N ATOM 1814 CA ARG A 117 100.900 4.227 3.006 1.00 0.00 C ATOM 1815 C ARG A 117 101.645 3.875 1.716 1.00 0.00 C ATOM 1816 O ARG A 117 101.255 2.967 0.983 1.00 0.00 O ATOM 1817 CB ARG A 117 99.566 4.903 2.671 1.00 0.00 C ATOM 1818 CG ARG A 117 98.444 3.941 2.310 1.00 0.00 C ATOM 1819 CD ARG A 117 98.059 3.077 3.501 1.00 0.00 C ATOM 1820 NE ARG A 117 97.802 3.880 4.699 1.00 0.00 N ATOM 1821 CZ ARG A 117 97.546 3.369 5.903 1.00 0.00 C ATOM 1822 NH1 ARG A 117 97.386 2.060 6.056 1.00 0.00 N ATOM 1823 NH2 ARG A 117 97.417 4.177 6.951 1.00 0.00 N ATOM 0 H ARG A 117 101.442 6.107 3.742 1.00 0.00 H new ATOM 0 HA ARG A 117 100.718 3.304 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.252 5.503 3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 117 99.720 5.590 1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 117 97.575 4.503 1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 117 98.758 3.305 1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.170 2.496 3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 117 98.858 2.365 3.706 1.00 0.00 H new ATOM 0 HE ARG A 117 97.820 4.896 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 117 97.459 1.440 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 117 97.190 1.675 6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 117 97.514 5.185 6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 117 97.221 3.788 7.873 1.00 0.00 H new ATOM 1837 N LEU A 118 102.720 4.604 1.448 1.00 0.00 N ATOM 1838 CA LEU A 118 103.492 4.411 0.230 1.00 0.00 C ATOM 1839 C LEU A 118 104.568 3.351 0.449 1.00 0.00 C ATOM 1840 O LEU A 118 105.679 3.657 0.878 1.00 0.00 O ATOM 1841 CB LEU A 118 104.113 5.744 -0.201 1.00 0.00 C ATOM 1842 CG LEU A 118 104.776 5.771 -1.579 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.794 5.359 -2.658 1.00 0.00 C ATOM 1844 CD2 LEU A 118 105.315 7.162 -1.872 1.00 0.00 C ATOM 0 H LEU A 118 103.077 5.337 2.061 1.00 0.00 H new ATOM 0 HA LEU A 118 102.833 4.061 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 118 103.334 6.506 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.857 6.030 0.542 1.00 0.00 H new ATOM 0 HG LEU A 118 105.602 5.060 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 118 104.288 5.386 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 118 103.438 4.348 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.948 6.047 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.785 7.170 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 118 104.496 7.881 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 118 106.051 7.434 -1.116 1.00 0.00 H new ATOM 1856 N SER A 119 104.205 2.097 0.191 1.00 0.00 N ATOM 1857 CA SER A 119 105.101 0.959 0.392 1.00 0.00 C ATOM 1858 C SER A 119 106.363 1.084 -0.461 1.00 0.00 C ATOM 1859 O SER A 119 107.461 0.752 -0.016 1.00 0.00 O ATOM 1860 CB SER A 119 104.364 -0.333 0.041 1.00 0.00 C ATOM 1861 OG SER A 119 103.022 -0.282 0.495 1.00 0.00 O ATOM 0 H SER A 119 103.283 1.840 -0.163 1.00 0.00 H new ATOM 0 HA SER A 119 105.406 0.942 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 119 104.383 -0.487 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.874 -1.183 0.493 1.00 0.00 H new ATOM 0 HG SER A 119 102.565 -1.117 0.260 1.00 0.00 H new ATOM 1867 N VAL A 120 106.190 1.555 -1.690 1.00 0.00 N ATOM 1868 CA VAL A 120 107.304 1.764 -2.602 1.00 0.00 C ATOM 1869 C VAL A 120 107.425 3.246 -2.920 1.00 0.00 C ATOM 1870 O VAL A 120 106.639 3.791 -3.699 1.00 0.00 O ATOM 1871 CB VAL A 120 107.132 0.966 -3.915 1.00 0.00 C ATOM 1872 CG1 VAL A 120 108.277 1.249 -4.875 1.00 0.00 C ATOM 1873 CG2 VAL A 120 107.035 -0.526 -3.631 1.00 0.00 C ATOM 0 H VAL A 120 105.280 1.801 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 120 108.210 1.406 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 120 106.203 1.289 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 120 108.134 0.676 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.299 2.313 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 120 109.220 0.961 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.914 -1.068 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.944 -0.861 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 120 106.177 -0.719 -2.988 1.00 0.00 H new ATOM 1883 N GLN A 121 108.394 3.897 -2.306 1.00 0.00 N ATOM 1884 CA GLN A 121 108.529 5.338 -2.432 1.00 0.00 C ATOM 1885 C GLN A 121 109.880 5.720 -3.024 1.00 0.00 C ATOM 1886 O GLN A 121 110.853 4.991 -2.876 1.00 0.00 O ATOM 1887 CB GLN A 121 108.314 5.997 -1.069 1.00 0.00 C ATOM 1888 CG GLN A 121 109.203 5.466 0.043 1.00 0.00 C ATOM 1889 CD GLN A 121 108.666 5.818 1.417 1.00 0.00 C ATOM 1890 OE1 GLN A 121 108.915 5.120 2.401 1.00 0.00 O ATOM 1891 NE2 GLN A 121 107.892 6.889 1.489 1.00 0.00 N ATOM 0 H GLN A 121 109.098 3.454 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 121 107.766 5.700 -3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 121 108.483 7.069 -1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 121 107.272 5.864 -0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 121 109.288 4.383 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 121 110.207 5.875 -0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 121 107.708 7.443 0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 121 107.479 7.161 2.381 1.00 0.00 H new ATOM 1900 N PRO A 122 109.942 6.855 -3.734 1.00 0.00 N ATOM 1901 CA PRO A 122 111.179 7.342 -4.336 1.00 0.00 C ATOM 1902 C PRO A 122 112.023 8.169 -3.368 1.00 0.00 C ATOM 1903 O PRO A 122 111.499 8.798 -2.444 1.00 0.00 O ATOM 1904 CB PRO A 122 110.671 8.216 -5.477 1.00 0.00 C ATOM 1905 CG PRO A 122 109.374 8.766 -4.982 1.00 0.00 C ATOM 1906 CD PRO A 122 108.803 7.745 -4.026 1.00 0.00 C ATOM 0 HA PRO A 122 111.834 6.528 -4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 122 111.377 9.013 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 122 110.533 7.636 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 122 109.526 9.722 -4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 122 108.689 8.945 -5.811 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.422 8.216 -3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.974 7.198 -4.474 1.00 0.00 H new ATOM 1914 N VAL A 123 113.329 8.153 -3.582 1.00 0.00 N ATOM 1915 CA VAL A 123 114.247 8.957 -2.793 1.00 0.00 C ATOM 1916 C VAL A 123 115.080 9.839 -3.716 1.00 0.00 C ATOM 1917 O VAL A 123 115.525 9.398 -4.777 1.00 0.00 O ATOM 1918 CB VAL A 123 115.195 8.083 -1.935 1.00 0.00 C ATOM 1919 CG1 VAL A 123 116.106 8.950 -1.079 1.00 0.00 C ATOM 1920 CG2 VAL A 123 114.411 7.126 -1.057 1.00 0.00 C ATOM 0 H VAL A 123 113.779 7.587 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 123 113.649 9.569 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 123 115.811 7.498 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.762 8.313 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.708 9.592 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.502 9.567 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 123 115.102 6.525 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.761 7.693 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.805 6.471 -1.683 1.00 0.00 H new ATOM 1930 N THR A 124 115.263 11.085 -3.323 1.00 0.00 N ATOM 1931 CA THR A 124 116.090 12.010 -4.073 1.00 0.00 C ATOM 1932 C THR A 124 117.566 11.781 -3.754 1.00 0.00 C ATOM 1933 O THR A 124 117.904 11.351 -2.652 1.00 0.00 O ATOM 1934 CB THR A 124 115.689 13.457 -3.755 1.00 0.00 C ATOM 1935 OG1 THR A 124 115.370 13.564 -2.363 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.494 13.888 -4.593 1.00 0.00 C ATOM 0 H THR A 124 114.846 11.482 -2.481 1.00 0.00 H new ATOM 0 HA THR A 124 115.936 11.833 -5.138 1.00 0.00 H new ATOM 0 HB THR A 124 116.526 14.113 -3.995 1.00 0.00 H new ATOM 0 HG1 THR A 124 116.111 13.998 -1.890 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.230 14.917 -4.348 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.748 13.820 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.647 13.236 -4.381 1.00 0.00 H new ATOM 1944 N ALA A 125 118.434 12.064 -4.720 1.00 0.00 N ATOM 1945 CA ALA A 125 119.864 11.764 -4.607 1.00 0.00 C ATOM 1946 C ALA A 125 120.496 12.348 -3.353 1.00 0.00 C ATOM 1947 O ALA A 125 121.125 11.624 -2.593 1.00 0.00 O ATOM 1948 CB ALA A 125 120.598 12.256 -5.843 1.00 0.00 C ATOM 0 H ALA A 125 118.171 12.506 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 125 119.956 10.681 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.660 12.029 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.197 11.759 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.465 13.333 -5.941 1.00 0.00 H new ATOM 1954 N GLU A 126 120.319 13.639 -3.127 1.00 0.00 N ATOM 1955 CA GLU A 126 120.995 14.313 -2.024 1.00 0.00 C ATOM 1956 C GLU A 126 120.504 13.776 -0.677 1.00 0.00 C ATOM 1957 O GLU A 126 121.265 13.704 0.291 1.00 0.00 O ATOM 1958 CB GLU A 126 120.763 15.823 -2.120 1.00 0.00 C ATOM 1959 CG GLU A 126 121.648 16.651 -1.207 1.00 0.00 C ATOM 1960 CD GLU A 126 121.329 18.127 -1.291 1.00 0.00 C ATOM 1961 OE1 GLU A 126 121.778 18.786 -2.251 1.00 0.00 O ATOM 1962 OE2 GLU A 126 120.616 18.638 -0.408 1.00 0.00 O ATOM 0 H GLU A 126 119.717 14.241 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 126 122.065 14.115 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 126 120.927 16.139 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.720 16.034 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 126 121.525 16.312 -0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 126 122.693 16.491 -1.473 1.00 0.00 H new ATOM 1969 N GLU A 127 119.238 13.389 -0.626 1.00 0.00 N ATOM 1970 CA GLU A 127 118.643 12.845 0.590 1.00 0.00 C ATOM 1971 C GLU A 127 119.102 11.404 0.813 1.00 0.00 C ATOM 1972 O GLU A 127 119.438 11.015 1.931 1.00 0.00 O ATOM 1973 CB GLU A 127 117.114 12.924 0.515 1.00 0.00 C ATOM 1974 CG GLU A 127 116.550 14.330 0.716 1.00 0.00 C ATOM 1975 CD GLU A 127 117.190 15.374 -0.184 1.00 0.00 C ATOM 1976 OE1 GLU A 127 117.108 15.235 -1.423 1.00 0.00 O ATOM 1977 OE2 GLU A 127 117.785 16.335 0.346 1.00 0.00 O ATOM 0 H GLU A 127 118.597 13.442 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 127 118.976 13.442 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.789 12.549 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.689 12.263 1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.476 14.312 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.690 14.624 1.756 1.00 0.00 H new ATOM 1984 N TRP A 128 119.108 10.622 -0.263 1.00 0.00 N ATOM 1985 CA TRP A 128 119.694 9.285 -0.254 1.00 0.00 C ATOM 1986 C TRP A 128 121.127 9.347 0.258 1.00 0.00 C ATOM 1987 O TRP A 128 121.519 8.605 1.159 1.00 0.00 O ATOM 1988 CB TRP A 128 119.669 8.703 -1.674 1.00 0.00 C ATOM 1989 CG TRP A 128 120.449 7.431 -1.842 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.795 7.313 -2.062 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.929 6.098 -1.829 1.00 0.00 C ATOM 1992 NE1 TRP A 128 122.141 5.990 -2.171 1.00 0.00 N ATOM 1993 CE2 TRP A 128 121.014 5.226 -2.034 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.653 5.556 -1.660 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.862 3.845 -2.073 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.504 4.183 -1.702 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.603 3.342 -1.904 1.00 0.00 C ATOM 0 H TRP A 128 118.709 10.895 -1.161 1.00 0.00 H new ATOM 0 HA TRP A 128 119.112 8.643 0.408 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.633 8.519 -1.959 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.062 9.449 -2.365 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.484 8.141 -2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 128 123.084 5.634 -2.328 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.799 6.198 -1.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.708 3.193 -2.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.522 3.752 -1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.453 2.273 -1.927 1.00 0.00 H new ATOM 2008 N LYS A 129 121.896 10.252 -0.331 1.00 0.00 N ATOM 2009 CA LYS A 129 123.292 10.443 0.022 1.00 0.00 C ATOM 2010 C LYS A 129 123.428 10.874 1.480 1.00 0.00 C ATOM 2011 O LYS A 129 124.393 10.516 2.159 1.00 0.00 O ATOM 2012 CB LYS A 129 123.922 11.488 -0.907 1.00 0.00 C ATOM 2013 CG LYS A 129 124.038 11.039 -2.357 1.00 0.00 C ATOM 2014 CD LYS A 129 124.854 9.769 -2.499 1.00 0.00 C ATOM 2015 CE LYS A 129 124.909 9.315 -3.950 1.00 0.00 C ATOM 2016 NZ LYS A 129 125.727 8.087 -4.134 1.00 0.00 N ATOM 0 H LYS A 129 121.567 10.875 -1.069 1.00 0.00 H new ATOM 0 HA LYS A 129 123.817 9.495 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.327 12.400 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 129 124.915 11.738 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 129 123.041 10.876 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 129 124.498 11.832 -2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 129 125.865 9.939 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 129 124.418 8.982 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 129 123.896 9.129 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 129 125.321 10.117 -4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 125.732 7.820 -5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 126.701 8.269 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 125.321 7.312 -3.572 1.00 0.00 H new ATOM 2030 N LEU A 130 122.445 11.630 1.957 1.00 0.00 N ATOM 2031 CA LEU A 130 122.429 12.075 3.342 1.00 0.00 C ATOM 2032 C LEU A 130 122.283 10.882 4.280 1.00 0.00 C ATOM 2033 O LEU A 130 123.100 10.698 5.174 1.00 0.00 O ATOM 2034 CB LEU A 130 121.296 13.078 3.594 1.00 0.00 C ATOM 2035 CG LEU A 130 121.207 13.600 5.033 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.494 14.310 5.422 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.015 14.530 5.203 1.00 0.00 C ATOM 0 H LEU A 130 121.649 11.947 1.403 1.00 0.00 H new ATOM 0 HA LEU A 130 123.377 12.575 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.425 13.927 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.348 12.607 3.334 1.00 0.00 H new ATOM 0 HG LEU A 130 121.067 12.745 5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.413 14.674 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.330 13.614 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 130 122.663 15.151 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 130 119.975 14.886 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 130 120.118 15.380 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.097 13.991 4.970 1.00 0.00 H new ATOM 2049 N VAL A 131 121.253 10.064 4.052 1.00 0.00 N ATOM 2050 CA VAL A 131 120.985 8.906 4.908 1.00 0.00 C ATOM 2051 C VAL A 131 122.168 7.942 4.919 1.00 0.00 C ATOM 2052 O VAL A 131 122.523 7.399 5.965 1.00 0.00 O ATOM 2053 CB VAL A 131 119.711 8.148 4.473 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.481 6.925 5.348 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.506 9.066 4.528 1.00 0.00 C ATOM 0 H VAL A 131 120.592 10.181 3.284 1.00 0.00 H new ATOM 0 HA VAL A 131 120.829 9.295 5.914 1.00 0.00 H new ATOM 0 HB VAL A 131 119.851 7.812 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.578 6.409 5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.334 6.252 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.365 7.237 6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.616 8.517 4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.372 9.430 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.662 9.912 3.858 1.00 0.00 H new ATOM 2065 N CYS A 132 122.779 7.743 3.757 1.00 0.00 N ATOM 2066 CA CYS A 132 123.956 6.889 3.650 1.00 0.00 C ATOM 2067 C CYS A 132 125.053 7.362 4.603 1.00 0.00 C ATOM 2068 O CYS A 132 125.482 6.629 5.494 1.00 0.00 O ATOM 2069 CB CYS A 132 124.480 6.888 2.214 1.00 0.00 C ATOM 2070 SG CYS A 132 123.313 6.243 0.998 1.00 0.00 S ATOM 0 H CYS A 132 122.479 8.161 2.876 1.00 0.00 H new ATOM 0 HA CYS A 132 123.669 5.874 3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.749 7.907 1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.394 6.295 2.173 1.00 0.00 H new ATOM 0 HG CYS A 132 122.391 7.130 0.769 1.00 0.00 H new ATOM 2076 N LYS A 133 125.483 8.602 4.421 1.00 0.00 N ATOM 2077 CA LYS A 133 126.535 9.183 5.245 1.00 0.00 C ATOM 2078 C LYS A 133 126.097 9.277 6.708 1.00 0.00 C ATOM 2079 O LYS A 133 126.901 9.095 7.621 1.00 0.00 O ATOM 2080 CB LYS A 133 126.895 10.562 4.695 1.00 0.00 C ATOM 2081 CG LYS A 133 127.871 11.345 5.561 1.00 0.00 C ATOM 2082 CD LYS A 133 128.065 12.761 5.045 1.00 0.00 C ATOM 2083 CE LYS A 133 126.802 13.594 5.203 1.00 0.00 C ATOM 2084 NZ LYS A 133 126.970 14.963 4.657 1.00 0.00 N ATOM 0 H LYS A 133 125.117 9.230 3.705 1.00 0.00 H new ATOM 0 HA LYS A 133 127.414 8.540 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.324 10.443 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 133 125.981 11.145 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.503 11.378 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 133 128.832 10.831 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 133 128.884 13.236 5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 133 128.351 12.729 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 133 125.975 13.099 4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 133 126.537 13.654 6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 126.087 15.498 4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 127.742 15.445 5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.198 14.907 3.644 1.00 0.00 H new ATOM 2098 N MET A 134 124.815 9.543 6.909 1.00 0.00 N ATOM 2099 CA MET A 134 124.234 9.655 8.240 1.00 0.00 C ATOM 2100 C MET A 134 124.341 8.319 8.975 1.00 0.00 C ATOM 2101 O MET A 134 124.619 8.273 10.174 1.00 0.00 O ATOM 2102 CB MET A 134 122.771 10.089 8.103 1.00 0.00 C ATOM 2103 CG MET A 134 122.171 10.755 9.328 1.00 0.00 C ATOM 2104 SD MET A 134 121.655 9.591 10.598 1.00 0.00 S ATOM 2105 CE MET A 134 120.573 10.647 11.552 1.00 0.00 C ATOM 0 H MET A 134 124.146 9.688 6.153 1.00 0.00 H new ATOM 0 HA MET A 134 124.776 10.400 8.823 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.691 10.777 7.261 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.171 9.213 7.857 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.902 11.443 9.752 1.00 0.00 H new ATOM 0 HG3 MET A 134 121.312 11.352 9.023 1.00 0.00 H new ATOM 0 HE1 MET A 134 120.472 10.248 12.561 1.00 0.00 H new ATOM 0 HE2 MET A 134 120.994 11.651 11.600 1.00 0.00 H new ATOM 0 HE3 MET A 134 119.593 10.687 11.078 1.00 0.00 H new ATOM 2115 N GLY A 135 124.156 7.231 8.231 1.00 0.00 N ATOM 2116 CA GLY A 135 124.269 5.898 8.795 1.00 0.00 C ATOM 2117 C GLY A 135 125.697 5.387 8.798 1.00 0.00 C ATOM 2118 O GLY A 135 125.935 4.177 8.809 1.00 0.00 O ATOM 0 H GLY A 135 123.927 7.251 7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.887 5.906 9.816 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.642 5.212 8.225 1.00 0.00 H new ATOM 2122 N GLY A 136 126.646 6.315 8.767 1.00 0.00 N ATOM 2123 CA GLY A 136 128.047 5.963 8.880 1.00 0.00 C ATOM 2124 C GLY A 136 128.579 5.195 7.686 1.00 0.00 C ATOM 2125 O GLY A 136 129.528 4.430 7.817 1.00 0.00 O ATOM 0 H GLY A 136 126.467 7.314 8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.633 6.874 9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 136 128.191 5.365 9.780 1.00 0.00 H new ATOM 2129 N LEU A 137 127.994 5.411 6.515 1.00 0.00 N ATOM 2130 CA LEU A 137 128.440 4.720 5.307 1.00 0.00 C ATOM 2131 C LEU A 137 129.678 5.399 4.717 1.00 0.00 C ATOM 2132 O LEU A 137 130.079 5.121 3.586 1.00 0.00 O ATOM 2133 CB LEU A 137 127.316 4.681 4.269 1.00 0.00 C ATOM 2134 CG LEU A 137 127.575 3.808 3.040 1.00 0.00 C ATOM 2135 CD1 LEU A 137 127.565 2.333 3.414 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.547 4.100 1.961 1.00 0.00 C ATOM 0 H LEU A 137 127.215 6.054 6.374 1.00 0.00 H new ATOM 0 HA LEU A 137 128.704 3.698 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.408 4.328 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 137 127.122 5.700 3.933 1.00 0.00 H new ATOM 0 HG LEU A 137 128.563 4.047 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 137 127.751 1.731 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.343 2.140 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 137 126.594 2.070 3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.743 3.472 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.548 3.889 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.611 5.149 1.672 1.00 0.00 H new