USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 862 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 28 ASN : amide:sc= -2.42! C(o=-3!,f=-4!) USER MOD Set 1.2: B 32 SER OG : rot 180:sc= 0 USER MOD Set 1.3: B 36 LYS NZ :NH3+ -151:sc= -0.734 (180deg=-2!) USER MOD Set 1.4: B 78 HIS :FLIP no HE2:sc= 0.125 F(o=-4.3,f=-3) USER MOD Set 2.1: A 28 ASN : amide:sc= -2.42! C(o=-3.1!,f=-4.2!) USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 36 LYS NZ :NH3+ -151:sc= -0.751 (180deg=-2.01!) USER MOD Set 2.4: A 78 HIS :FLIP no HE2:sc= 0.118 F(o=-4.3,f=-3.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0333 (180deg=-0.311) USER MOD Single : A 29 TYR OH : rot 0:sc= -1.84 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -0.0929 (180deg=-0.424) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 46 SER OG : rot 87:sc= 1.29 USER MOD Single : A 48 ASN : amide:sc= -1.78 K(o=-1.8,f=-2.3!) USER MOD Single : A 51 MET CE :methyl -166:sc= -2! (180deg=-3.51!) USER MOD Single : A 53 CYS SG : rot 64:sc= 1.27 USER MOD Single : A 55 SER OG : rot 78:sc= 1.21 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= 0.129 (180deg=-0.253) USER MOD Single : A 72 SER OG : rot -87:sc= 0.139 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 85 SER OG : rot 84:sc= 1.19 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ -131:sc= -0.0454 (180deg=-0.324) USER MOD Single : B 29 TYR OH : rot 0:sc= -1.4 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ 165:sc= -0.082 (180deg=-0.468) USER MOD Single : B 40 SER OG : rot 180:sc= -0.041 USER MOD Single : B 46 SER OG : rot 71:sc= 1.22 USER MOD Single : B 48 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.3!) USER MOD Single : B 51 MET CE :methyl -159:sc= -1.91 (180deg=-3.7!) USER MOD Single : B 53 CYS SG : rot 66:sc= 1.29 USER MOD Single : B 55 SER OG : rot 93:sc= 1.24 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ -114:sc= 0.145 (180deg=-0.258) USER MOD Single : B 72 SER OG : rot 126:sc= 0.155 USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : B 85 SER OG : rot 83:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.294 -8.068 7.071 1.00 0.93 N ATOM 49 CA ALA A 17 -7.158 -7.602 6.297 1.00 0.81 C ATOM 50 C ALA A 17 -5.885 -7.759 7.114 1.00 0.69 C ATOM 51 O ALA A 17 -5.465 -6.839 7.819 1.00 0.70 O ATOM 52 CB ALA A 17 -7.352 -6.153 5.876 1.00 1.09 C ATOM 0 HA ALA A 17 -7.075 -8.204 5.392 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.489 -5.824 5.297 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.252 -6.069 5.266 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.454 -5.527 6.763 1.00 1.09 H new ATOM 58 N SER A 18 -5.298 -8.941 7.043 1.00 0.64 N ATOM 59 CA SER A 18 -4.076 -9.236 7.767 1.00 0.61 C ATOM 60 C SER A 18 -2.901 -8.504 7.126 1.00 0.50 C ATOM 61 O SER A 18 -2.983 -8.104 5.963 1.00 0.45 O ATOM 62 CB SER A 18 -3.836 -10.750 7.783 1.00 0.66 C ATOM 63 OG SER A 18 -2.720 -11.100 8.584 1.00 1.32 O ATOM 0 H SER A 18 -5.653 -9.718 6.486 1.00 0.64 H new ATOM 0 HA SER A 18 -4.172 -8.891 8.797 1.00 0.61 H new ATOM 0 HB2 SER A 18 -4.726 -11.255 8.160 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.677 -11.103 6.764 1.00 0.66 H new ATOM 0 HG SER A 18 -2.600 -12.073 8.571 1.00 1.32 H new ATOM 69 N LYS A 19 -1.825 -8.316 7.882 1.00 0.50 N ATOM 70 CA LYS A 19 -0.664 -7.572 7.400 1.00 0.43 C ATOM 71 C LYS A 19 -0.198 -8.081 6.034 1.00 0.34 C ATOM 72 O LYS A 19 -0.025 -7.297 5.098 1.00 0.28 O ATOM 73 CB LYS A 19 0.478 -7.650 8.418 1.00 0.54 C ATOM 74 CG LYS A 19 0.206 -6.870 9.698 1.00 0.84 C ATOM 75 CD LYS A 19 1.356 -6.981 10.690 1.00 1.12 C ATOM 76 CE LYS A 19 1.473 -8.383 11.270 1.00 1.73 C ATOM 77 NZ LYS A 19 0.256 -8.778 12.029 1.00 2.10 N ATOM 0 H LYS A 19 -1.731 -8.669 8.834 1.00 0.50 H new ATOM 0 HA LYS A 19 -0.962 -6.530 7.281 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.658 -8.695 8.670 1.00 0.54 H new ATOM 0 HB3 LYS A 19 1.391 -7.271 7.958 1.00 0.54 H new ATOM 0 HG2 LYS A 19 0.038 -5.821 9.454 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -0.709 -7.241 10.161 1.00 0.84 H new ATOM 0 HD2 LYS A 19 2.290 -6.714 10.195 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.208 -6.265 11.498 1.00 1.12 H new ATOM 0 HE2 LYS A 19 1.644 -9.096 10.463 1.00 1.73 H new ATOM 0 HE3 LYS A 19 2.341 -8.432 11.927 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 0.471 -9.603 12.624 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 -0.050 -7.987 12.631 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 -0.505 -9.020 11.363 1.00 2.10 H new ATOM 91 N GLU A 20 -0.039 -9.395 5.914 1.00 0.41 N ATOM 92 CA GLU A 20 0.429 -10.002 4.670 1.00 0.41 C ATOM 93 C GLU A 20 -0.567 -9.780 3.529 1.00 0.34 C ATOM 94 O GLU A 20 -0.172 -9.618 2.377 1.00 0.30 O ATOM 95 CB GLU A 20 0.678 -11.500 4.868 1.00 0.57 C ATOM 96 CG GLU A 20 -0.548 -12.274 5.329 1.00 0.64 C ATOM 97 CD GLU A 20 -0.255 -13.738 5.560 1.00 0.95 C ATOM 98 OE1 GLU A 20 0.137 -14.096 6.690 1.00 1.49 O ATOM 99 OE2 GLU A 20 -0.410 -14.540 4.617 1.00 1.57 O ATOM 0 H GLU A 20 -0.227 -10.062 6.663 1.00 0.41 H new ATOM 0 HA GLU A 20 1.367 -9.518 4.397 1.00 0.41 H new ATOM 0 HB2 GLU A 20 1.033 -11.926 3.930 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.475 -11.632 5.600 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -0.927 -11.833 6.251 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -1.336 -12.178 4.582 1.00 0.64 H new ATOM 106 N GLU A 21 -1.855 -9.757 3.864 1.00 0.37 N ATOM 107 CA GLU A 21 -2.905 -9.563 2.868 1.00 0.39 C ATOM 108 C GLU A 21 -2.853 -8.143 2.318 1.00 0.32 C ATOM 109 O GLU A 21 -3.003 -7.918 1.117 1.00 0.34 O ATOM 110 CB GLU A 21 -4.279 -9.840 3.485 1.00 0.50 C ATOM 111 CG GLU A 21 -4.441 -11.263 4.001 1.00 0.61 C ATOM 112 CD GLU A 21 -5.826 -11.537 4.562 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.161 -10.992 5.631 1.00 1.49 O ATOM 114 OE2 GLU A 21 -6.581 -12.312 3.940 1.00 1.54 O ATOM 0 H GLU A 21 -2.196 -9.870 4.818 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.742 -10.263 2.048 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.446 -9.144 4.307 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.049 -9.643 2.739 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.238 -11.963 3.190 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -3.698 -11.449 4.776 1.00 0.61 H new ATOM 121 N ILE A 22 -2.624 -7.193 3.211 1.00 0.30 N ATOM 122 CA ILE A 22 -2.505 -5.795 2.835 1.00 0.28 C ATOM 123 C ILE A 22 -1.234 -5.565 2.029 1.00 0.24 C ATOM 124 O ILE A 22 -1.261 -4.931 0.973 1.00 0.26 O ATOM 125 CB ILE A 22 -2.493 -4.894 4.084 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.802 -5.071 4.853 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.279 -3.435 3.695 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.777 -4.480 6.240 1.00 0.44 C ATOM 0 H ILE A 22 -2.516 -7.368 4.210 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.369 -5.538 2.221 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.664 -5.187 4.729 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.611 -4.610 4.286 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -4.029 -6.135 4.925 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.274 -2.816 4.592 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.325 -3.332 3.178 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.085 -3.112 3.036 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.740 -4.645 6.723 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.991 -4.958 6.825 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.582 -3.410 6.176 1.00 0.44 H new ATOM 135 N ALA A 23 -0.127 -6.106 2.528 1.00 0.20 N ATOM 136 CA ALA A 23 1.158 -5.984 1.855 1.00 0.19 C ATOM 137 C ALA A 23 1.099 -6.592 0.461 1.00 0.20 C ATOM 138 O ALA A 23 1.789 -6.139 -0.452 1.00 0.20 O ATOM 139 CB ALA A 23 2.250 -6.643 2.678 1.00 0.20 C ATOM 0 H ALA A 23 -0.096 -6.635 3.400 1.00 0.20 H new ATOM 0 HA ALA A 23 1.391 -4.924 1.753 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.205 -6.544 2.162 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.313 -6.160 3.653 1.00 0.20 H new ATOM 0 HB3 ALA A 23 2.018 -7.700 2.811 1.00 0.20 H new ATOM 145 N ALA A 24 0.262 -7.613 0.308 1.00 0.22 N ATOM 146 CA ALA A 24 0.037 -8.238 -0.985 1.00 0.25 C ATOM 147 C ALA A 24 -0.447 -7.209 -2.001 1.00 0.24 C ATOM 148 O ALA A 24 0.103 -7.101 -3.094 1.00 0.25 O ATOM 149 CB ALA A 24 -0.968 -9.371 -0.853 1.00 0.31 C ATOM 0 H ALA A 24 -0.274 -8.026 1.071 1.00 0.22 H new ATOM 0 HA ALA A 24 0.981 -8.650 -1.340 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -1.128 -9.831 -1.828 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.585 -10.118 -0.158 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.913 -8.977 -0.478 1.00 0.31 H new ATOM 155 N LEU A 25 -1.460 -6.435 -1.628 1.00 0.23 N ATOM 156 CA LEU A 25 -1.971 -5.381 -2.497 1.00 0.23 C ATOM 157 C LEU A 25 -0.932 -4.290 -2.707 1.00 0.22 C ATOM 158 O LEU A 25 -0.824 -3.723 -3.794 1.00 0.25 O ATOM 159 CB LEU A 25 -3.238 -4.758 -1.921 1.00 0.26 C ATOM 160 CG LEU A 25 -4.529 -5.532 -2.164 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.707 -4.752 -1.613 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.722 -5.801 -3.649 1.00 0.44 C ATOM 0 H LEU A 25 -1.942 -6.517 -0.733 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.203 -5.844 -3.456 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -3.105 -4.639 -0.846 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.352 -3.758 -2.341 1.00 0.26 H new ATOM 0 HG LEU A 25 -4.464 -6.491 -1.650 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.627 -5.309 -1.789 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.574 -4.601 -0.542 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.768 -3.785 -2.111 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.649 -6.354 -3.801 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -4.772 -4.854 -4.187 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.883 -6.388 -4.025 1.00 0.44 H new ATOM 174 N ILE A 26 -0.176 -4.002 -1.658 1.00 0.21 N ATOM 175 CA ILE A 26 0.842 -2.966 -1.712 1.00 0.22 C ATOM 176 C ILE A 26 1.907 -3.301 -2.755 1.00 0.20 C ATOM 177 O ILE A 26 2.211 -2.483 -3.628 1.00 0.23 O ATOM 178 CB ILE A 26 1.498 -2.757 -0.330 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.446 -2.296 0.688 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.634 -1.750 -0.429 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.986 -2.097 2.088 1.00 0.27 C ATOM 0 H ILE A 26 -0.250 -4.474 -0.757 1.00 0.21 H new ATOM 0 HA ILE A 26 0.351 -2.037 -2.003 1.00 0.22 H new ATOM 0 HB ILE A 26 1.915 -3.705 0.010 1.00 0.22 H new ATOM 0 HG12 ILE A 26 0.008 -1.360 0.343 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.358 -3.031 0.721 1.00 0.26 H new ATOM 0 HG21 ILE A 26 3.086 -1.614 0.553 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.386 -2.118 -1.127 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.245 -0.796 -0.785 1.00 0.25 H new ATOM 0 HD11 ILE A 26 0.180 -1.771 2.746 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.398 -3.037 2.456 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.769 -1.339 2.072 1.00 0.27 H new ATOM 188 N VAL A 27 2.455 -4.511 -2.685 1.00 0.18 N ATOM 189 CA VAL A 27 3.464 -4.933 -3.650 1.00 0.20 C ATOM 190 C VAL A 27 2.836 -5.153 -5.025 1.00 0.22 C ATOM 191 O VAL A 27 3.481 -4.942 -6.048 1.00 0.24 O ATOM 192 CB VAL A 27 4.218 -6.210 -3.203 1.00 0.21 C ATOM 193 CG1 VAL A 27 4.932 -5.976 -1.881 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.281 -7.405 -3.100 1.00 0.21 C ATOM 0 H VAL A 27 2.221 -5.209 -1.979 1.00 0.18 H new ATOM 0 HA VAL A 27 4.195 -4.127 -3.709 1.00 0.20 H new ATOM 0 HB VAL A 27 4.963 -6.437 -3.966 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.456 -6.885 -1.584 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.650 -5.164 -1.994 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.203 -5.711 -1.115 1.00 0.21 H new ATOM 0 HG21 VAL A 27 3.844 -8.283 -2.784 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.500 -7.193 -2.370 1.00 0.21 H new ATOM 0 HG23 VAL A 27 2.827 -7.596 -4.072 1.00 0.21 H new ATOM 198 N ASN A 28 1.567 -5.561 -5.035 1.00 0.26 N ATOM 199 CA ASN A 28 0.816 -5.734 -6.277 1.00 0.32 C ATOM 200 C ASN A 28 0.714 -4.414 -7.031 1.00 0.27 C ATOM 201 O ASN A 28 0.931 -4.360 -8.242 1.00 0.29 O ATOM 202 CB ASN A 28 -0.587 -6.275 -5.977 1.00 0.45 C ATOM 203 CG ASN A 28 -1.502 -6.255 -7.188 1.00 0.68 C ATOM 204 OD1 ASN A 28 -2.209 -5.275 -7.428 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.498 -7.332 -7.957 1.00 0.86 N ATOM 0 H ASN A 28 1.036 -5.779 -4.192 1.00 0.26 H new ATOM 0 HA ASN A 28 1.348 -6.452 -6.902 1.00 0.32 H new ATOM 0 HB2 ASN A 28 -0.505 -7.297 -5.607 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -1.036 -5.683 -5.180 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -2.095 -7.371 -8.783 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -0.898 -8.123 -7.724 1.00 0.86 H new ATOM 212 N TYR A 29 0.391 -3.352 -6.303 1.00 0.25 N ATOM 213 CA TYR A 29 0.278 -2.027 -6.893 1.00 0.24 C ATOM 214 C TYR A 29 1.603 -1.601 -7.514 1.00 0.19 C ATOM 215 O TYR A 29 1.651 -1.208 -8.679 1.00 0.19 O ATOM 216 CB TYR A 29 -0.166 -1.008 -5.841 1.00 0.29 C ATOM 217 CG TYR A 29 -0.235 0.408 -6.366 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.042 0.728 -7.449 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.511 1.424 -5.781 1.00 1.23 C ATOM 220 CE1 TYR A 29 -1.103 2.018 -7.936 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.453 2.717 -6.260 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.354 3.009 -7.339 1.00 0.43 C ATOM 223 OH TYR A 29 -0.413 4.294 -7.821 1.00 0.50 O ATOM 0 H TYR A 29 0.203 -3.384 -5.301 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.476 -2.067 -7.679 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.146 -1.294 -5.460 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.525 -1.042 -4.999 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.632 -0.045 -7.918 1.00 1.20 H new ATOM 0 HD2 TYR A 29 1.147 1.198 -4.938 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -1.735 2.250 -8.781 1.00 1.22 H new ATOM 0 HE2 TYR A 29 1.037 3.496 -5.792 1.00 1.25 H new ATOM 0 HH TYR A 29 -1.028 4.330 -8.583 1.00 0.50 H new ATOM 233 N PHE A 30 2.676 -1.700 -6.739 1.00 0.16 N ATOM 234 CA PHE A 30 4.001 -1.334 -7.224 1.00 0.16 C ATOM 235 C PHE A 30 4.403 -2.208 -8.408 1.00 0.18 C ATOM 236 O PHE A 30 4.996 -1.725 -9.374 1.00 0.21 O ATOM 237 CB PHE A 30 5.044 -1.462 -6.113 1.00 0.19 C ATOM 238 CG PHE A 30 4.846 -0.525 -4.954 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.372 0.762 -5.149 1.00 1.19 C ATOM 240 CD2 PHE A 30 5.151 -0.934 -3.666 1.00 1.18 C ATOM 241 CE1 PHE A 30 4.202 1.620 -4.081 1.00 1.22 C ATOM 242 CE2 PHE A 30 4.986 -0.077 -2.596 1.00 1.17 C ATOM 243 CZ PHE A 30 4.512 1.201 -2.804 1.00 0.25 C ATOM 0 H PHE A 30 2.655 -2.030 -5.774 1.00 0.16 H new ATOM 0 HA PHE A 30 3.959 -0.294 -7.548 1.00 0.16 H new ATOM 0 HB2 PHE A 30 5.034 -2.486 -5.740 1.00 0.19 H new ATOM 0 HB3 PHE A 30 6.032 -1.287 -6.539 1.00 0.19 H new ATOM 0 HD1 PHE A 30 4.133 1.098 -6.147 1.00 1.19 H new ATOM 0 HD2 PHE A 30 5.522 -1.934 -3.497 1.00 1.18 H new ATOM 0 HE1 PHE A 30 3.826 2.619 -4.245 1.00 1.22 H new ATOM 0 HE2 PHE A 30 5.228 -0.408 -1.597 1.00 1.17 H new ATOM 0 HZ PHE A 30 4.384 1.873 -1.968 1.00 0.25 H new ATOM 253 N SER A 31 4.069 -3.493 -8.327 1.00 0.21 N ATOM 254 CA SER A 31 4.360 -4.433 -9.397 1.00 0.27 C ATOM 255 C SER A 31 3.659 -4.007 -10.683 1.00 0.25 C ATOM 256 O SER A 31 4.244 -4.056 -11.761 1.00 0.27 O ATOM 257 CB SER A 31 3.924 -5.847 -8.998 1.00 0.35 C ATOM 258 OG SER A 31 4.277 -6.799 -9.989 1.00 1.15 O ATOM 0 H SER A 31 3.594 -3.906 -7.525 1.00 0.21 H new ATOM 0 HA SER A 31 5.436 -4.437 -9.572 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.388 -6.118 -8.050 1.00 0.35 H new ATOM 0 HB3 SER A 31 2.845 -5.866 -8.842 1.00 0.35 H new ATOM 0 HG SER A 31 3.987 -7.691 -9.704 1.00 1.15 H new ATOM 264 N SER A 32 2.412 -3.569 -10.562 1.00 0.27 N ATOM 265 CA SER A 32 1.648 -3.126 -11.717 1.00 0.30 C ATOM 266 C SER A 32 2.278 -1.873 -12.324 1.00 0.28 C ATOM 267 O SER A 32 2.314 -1.714 -13.545 1.00 0.35 O ATOM 268 CB SER A 32 0.192 -2.857 -11.320 1.00 0.40 C ATOM 269 OG SER A 32 -0.622 -2.656 -12.466 1.00 0.99 O ATOM 0 H SER A 32 1.910 -3.512 -9.676 1.00 0.27 H new ATOM 0 HA SER A 32 1.662 -3.916 -12.468 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.191 -3.697 -10.741 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.144 -1.978 -10.677 1.00 0.40 H new ATOM 0 HG SER A 32 -1.546 -2.488 -12.186 1.00 0.99 H new ATOM 275 N ILE A 33 2.793 -0.996 -11.464 1.00 0.24 N ATOM 276 CA ILE A 33 3.432 0.235 -11.916 1.00 0.26 C ATOM 277 C ILE A 33 4.673 -0.067 -12.753 1.00 0.26 C ATOM 278 O ILE A 33 4.869 0.520 -13.818 1.00 0.31 O ATOM 279 CB ILE A 33 3.837 1.142 -10.733 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.615 1.540 -9.907 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.554 2.385 -11.239 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.955 2.417 -8.722 1.00 0.34 C ATOM 0 H ILE A 33 2.779 -1.116 -10.451 1.00 0.24 H new ATOM 0 HA ILE A 33 2.696 0.760 -12.525 1.00 0.26 H new ATOM 0 HB ILE A 33 4.516 0.579 -10.092 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.907 2.065 -10.548 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.116 0.639 -9.552 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.833 3.014 -10.393 1.00 0.43 H new ATOM 0 HG22 ILE A 33 5.451 2.091 -11.784 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.892 2.942 -11.903 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.043 2.663 -8.178 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.640 1.886 -8.061 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.428 3.335 -9.072 1.00 0.34 H new ATOM 289 N VAL A 34 5.506 -0.983 -12.273 1.00 0.24 N ATOM 290 CA VAL A 34 6.740 -1.322 -12.974 1.00 0.31 C ATOM 291 C VAL A 34 6.471 -2.263 -14.145 1.00 0.37 C ATOM 292 O VAL A 34 7.237 -2.299 -15.106 1.00 0.47 O ATOM 293 CB VAL A 34 7.797 -1.946 -12.031 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.202 -0.953 -10.952 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.287 -3.234 -11.404 1.00 0.33 C ATOM 0 H VAL A 34 5.352 -1.501 -11.408 1.00 0.24 H new ATOM 0 HA VAL A 34 7.144 -0.385 -13.358 1.00 0.31 H new ATOM 0 HB VAL A 34 8.675 -2.190 -12.629 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.946 -1.409 -10.298 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.625 -0.063 -11.417 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.326 -0.675 -10.366 1.00 0.35 H new ATOM 0 HG21 VAL A 34 8.053 -3.647 -10.747 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.387 -3.026 -10.826 1.00 0.33 H new ATOM 0 HG23 VAL A 34 7.055 -3.954 -12.189 1.00 0.33 H new ATOM 299 N GLU A 35 5.378 -3.014 -14.066 1.00 0.35 N ATOM 300 CA GLU A 35 4.977 -3.903 -15.150 1.00 0.46 C ATOM 301 C GLU A 35 4.592 -3.089 -16.379 1.00 0.50 C ATOM 302 O GLU A 35 5.088 -3.330 -17.478 1.00 0.61 O ATOM 303 CB GLU A 35 3.801 -4.780 -14.718 1.00 0.50 C ATOM 304 CG GLU A 35 3.418 -5.841 -15.737 1.00 0.70 C ATOM 305 CD GLU A 35 4.508 -6.873 -15.940 1.00 1.49 C ATOM 306 OE1 GLU A 35 4.565 -7.842 -15.155 1.00 2.19 O ATOM 307 OE2 GLU A 35 5.312 -6.726 -16.887 1.00 2.22 O ATOM 0 H GLU A 35 4.753 -3.025 -13.260 1.00 0.35 H new ATOM 0 HA GLU A 35 5.820 -4.547 -15.398 1.00 0.46 H new ATOM 0 HB2 GLU A 35 4.051 -5.268 -13.776 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.937 -4.144 -14.528 1.00 0.50 H new ATOM 0 HG2 GLU A 35 2.506 -6.341 -15.411 1.00 0.70 H new ATOM 0 HG3 GLU A 35 3.195 -5.361 -16.690 1.00 0.70 H new ATOM 314 N LYS A 36 3.713 -2.111 -16.184 1.00 0.47 N ATOM 315 CA LYS A 36 3.300 -1.235 -17.274 1.00 0.54 C ATOM 316 C LYS A 36 4.378 -0.188 -17.549 1.00 0.50 C ATOM 317 O LYS A 36 4.348 0.519 -18.558 1.00 0.60 O ATOM 318 CB LYS A 36 1.963 -0.555 -16.949 1.00 0.67 C ATOM 319 CG LYS A 36 2.034 0.414 -15.777 1.00 0.71 C ATOM 320 CD LYS A 36 0.683 1.055 -15.474 1.00 0.97 C ATOM 321 CE LYS A 36 -0.177 0.201 -14.546 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.637 -1.064 -15.178 1.00 2.08 N ATOM 0 H LYS A 36 3.275 -1.906 -15.286 1.00 0.47 H new ATOM 0 HA LYS A 36 3.165 -1.841 -18.170 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.616 -0.018 -17.832 1.00 0.67 H new ATOM 0 HB3 LYS A 36 1.220 -1.322 -16.730 1.00 0.67 H new ATOM 0 HG2 LYS A 36 2.390 -0.114 -14.892 1.00 0.71 H new ATOM 0 HG3 LYS A 36 2.763 1.194 -15.997 1.00 0.71 H new ATOM 0 HD2 LYS A 36 0.843 2.032 -15.018 1.00 0.97 H new ATOM 0 HD3 LYS A 36 0.147 1.223 -16.408 1.00 0.97 H new ATOM 0 HE2 LYS A 36 0.393 -0.035 -13.647 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -1.045 0.779 -14.230 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.547 -1.349 -14.762 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -0.755 -0.918 -16.201 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 0.068 -1.811 -15.014 1.00 2.08 H new ATOM 336 N LYS A 37 5.326 -0.118 -16.614 1.00 0.47 N ATOM 337 CA LYS A 37 6.478 0.776 -16.684 1.00 0.54 C ATOM 338 C LYS A 37 6.037 2.234 -16.793 1.00 0.59 C ATOM 339 O LYS A 37 6.462 2.961 -17.690 1.00 0.75 O ATOM 340 CB LYS A 37 7.392 0.400 -17.855 1.00 0.71 C ATOM 341 CG LYS A 37 8.807 0.938 -17.702 1.00 1.18 C ATOM 342 CD LYS A 37 9.635 0.742 -18.962 1.00 1.41 C ATOM 343 CE LYS A 37 9.118 1.590 -20.113 1.00 1.98 C ATOM 344 NZ LYS A 37 9.042 3.032 -19.752 1.00 2.60 N ATOM 0 H LYS A 37 5.313 -0.693 -15.771 1.00 0.47 H new ATOM 0 HA LYS A 37 7.043 0.662 -15.759 1.00 0.54 H new ATOM 0 HB2 LYS A 37 7.430 -0.686 -17.945 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.962 0.782 -18.781 1.00 0.71 H new ATOM 0 HG2 LYS A 37 8.766 1.999 -17.458 1.00 1.18 H new ATOM 0 HG3 LYS A 37 9.296 0.437 -16.866 1.00 1.18 H new ATOM 0 HD2 LYS A 37 10.674 1.000 -18.758 1.00 1.41 H new ATOM 0 HD3 LYS A 37 9.618 -0.310 -19.249 1.00 1.41 H new ATOM 0 HE2 LYS A 37 9.771 1.466 -20.977 1.00 1.98 H new ATOM 0 HE3 LYS A 37 8.130 1.237 -20.408 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 8.985 3.604 -20.619 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 8.197 3.200 -19.170 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 9.891 3.301 -19.215 1.00 2.60 H new ATOM 358 N GLU A 38 5.197 2.658 -15.859 1.00 0.54 N ATOM 359 CA GLU A 38 4.671 4.017 -15.861 1.00 0.68 C ATOM 360 C GLU A 38 5.612 4.926 -15.086 1.00 0.69 C ATOM 361 O GLU A 38 5.703 6.127 -15.338 1.00 1.03 O ATOM 362 CB GLU A 38 3.280 4.042 -15.221 1.00 0.79 C ATOM 363 CG GLU A 38 2.579 5.388 -15.308 1.00 1.36 C ATOM 364 CD GLU A 38 2.151 5.734 -16.718 1.00 1.41 C ATOM 365 OE1 GLU A 38 1.102 5.226 -17.162 1.00 1.86 O ATOM 366 OE2 GLU A 38 2.862 6.503 -17.396 1.00 2.12 O ATOM 0 H GLU A 38 4.864 2.079 -15.088 1.00 0.54 H new ATOM 0 HA GLU A 38 4.592 4.370 -16.889 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.657 3.289 -15.703 1.00 0.79 H new ATOM 0 HB3 GLU A 38 3.370 3.759 -14.172 1.00 0.79 H new ATOM 0 HG2 GLU A 38 1.704 5.380 -14.659 1.00 1.36 H new ATOM 0 HG3 GLU A 38 3.246 6.165 -14.934 1.00 1.36 H new ATOM 373 N ILE A 39 6.324 4.324 -14.152 1.00 0.42 N ATOM 374 CA ILE A 39 7.208 5.061 -13.266 1.00 0.43 C ATOM 375 C ILE A 39 8.606 5.185 -13.881 1.00 0.48 C ATOM 376 O ILE A 39 8.985 4.386 -14.744 1.00 0.51 O ATOM 377 CB ILE A 39 7.274 4.372 -11.883 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.850 5.315 -10.826 1.00 0.45 C ATOM 379 CG2 ILE A 39 8.091 3.087 -11.957 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.694 4.800 -9.411 1.00 0.47 C ATOM 0 H ILE A 39 6.307 3.318 -13.986 1.00 0.42 H new ATOM 0 HA ILE A 39 6.809 6.066 -13.131 1.00 0.43 H new ATOM 0 HB ILE A 39 6.256 4.115 -11.589 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.908 5.476 -11.031 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.358 6.284 -10.908 1.00 0.45 H new ATOM 0 HG21 ILE A 39 8.124 2.620 -10.973 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.629 2.403 -12.669 1.00 0.36 H new ATOM 0 HG23 ILE A 39 9.105 3.319 -12.283 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.124 5.518 -8.713 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.636 4.666 -9.187 1.00 0.47 H new ATOM 0 HD13 ILE A 39 8.210 3.845 -9.313 1.00 0.47 H new ATOM 387 N SER A 40 9.354 6.194 -13.449 1.00 0.54 N ATOM 388 CA SER A 40 10.682 6.452 -13.988 1.00 0.62 C ATOM 389 C SER A 40 11.666 5.361 -13.560 1.00 0.53 C ATOM 390 O SER A 40 11.366 4.563 -12.668 1.00 0.48 O ATOM 391 CB SER A 40 11.171 7.829 -13.531 1.00 0.76 C ATOM 392 OG SER A 40 12.386 8.183 -14.166 1.00 1.82 O ATOM 0 H SER A 40 9.061 6.849 -12.724 1.00 0.54 H new ATOM 0 HA SER A 40 10.624 6.441 -15.076 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.411 8.578 -13.753 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.311 7.827 -12.450 1.00 0.76 H new ATOM 0 HG SER A 40 12.672 9.067 -13.855 1.00 1.82 H new ATOM 398 N GLU A 41 12.837 5.334 -14.190 1.00 0.59 N ATOM 399 CA GLU A 41 13.813 4.269 -13.969 1.00 0.60 C ATOM 400 C GLU A 41 14.209 4.169 -12.499 1.00 0.49 C ATOM 401 O GLU A 41 14.093 3.102 -11.887 1.00 0.46 O ATOM 402 CB GLU A 41 15.055 4.493 -14.833 1.00 0.78 C ATOM 403 CG GLU A 41 14.755 4.588 -16.320 1.00 1.07 C ATOM 404 CD GLU A 41 13.965 3.401 -16.833 1.00 1.43 C ATOM 405 OE1 GLU A 41 14.568 2.342 -17.101 1.00 1.99 O ATOM 406 OE2 GLU A 41 12.726 3.518 -16.961 1.00 2.19 O ATOM 0 H GLU A 41 13.135 6.041 -14.862 1.00 0.59 H new ATOM 0 HA GLU A 41 13.344 3.328 -14.256 1.00 0.60 H new ATOM 0 HB2 GLU A 41 15.550 5.410 -14.512 1.00 0.78 H new ATOM 0 HB3 GLU A 41 15.757 3.676 -14.664 1.00 0.78 H new ATOM 0 HG2 GLU A 41 14.197 5.503 -16.516 1.00 1.07 H new ATOM 0 HG3 GLU A 41 15.692 4.662 -16.872 1.00 1.07 H new ATOM 413 N ASP A 42 14.656 5.286 -11.931 1.00 0.52 N ATOM 414 CA ASP A 42 15.075 5.317 -10.531 1.00 0.52 C ATOM 415 C ASP A 42 13.916 4.954 -9.614 1.00 0.43 C ATOM 416 O ASP A 42 14.094 4.245 -8.622 1.00 0.47 O ATOM 417 CB ASP A 42 15.623 6.694 -10.154 1.00 0.62 C ATOM 418 CG ASP A 42 16.041 6.770 -8.698 1.00 1.50 C ATOM 419 OD1 ASP A 42 17.108 6.212 -8.347 1.00 2.30 O ATOM 420 OD2 ASP A 42 15.309 7.382 -7.897 1.00 2.21 O ATOM 0 H ASP A 42 14.738 6.180 -12.416 1.00 0.52 H new ATOM 0 HA ASP A 42 15.868 4.580 -10.406 1.00 0.52 H new ATOM 0 HB2 ASP A 42 16.479 6.928 -10.788 1.00 0.62 H new ATOM 0 HB3 ASP A 42 14.864 7.451 -10.351 1.00 0.62 H new ATOM 425 N GLY A 43 12.725 5.431 -9.960 1.00 0.39 N ATOM 426 CA GLY A 43 11.542 5.110 -9.187 1.00 0.37 C ATOM 427 C GLY A 43 11.259 3.621 -9.172 1.00 0.34 C ATOM 428 O GLY A 43 10.951 3.051 -8.125 1.00 0.35 O ATOM 0 H GLY A 43 12.559 6.036 -10.764 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.670 5.465 -8.164 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.684 5.638 -9.602 1.00 0.37 H new ATOM 432 N ALA A 44 11.383 2.991 -10.333 1.00 0.33 N ATOM 433 CA ALA A 44 11.184 1.554 -10.452 1.00 0.33 C ATOM 434 C ALA A 44 12.217 0.798 -9.627 1.00 0.32 C ATOM 435 O ALA A 44 11.882 -0.130 -8.893 1.00 0.31 O ATOM 436 CB ALA A 44 11.257 1.128 -11.910 1.00 0.38 C ATOM 0 H ALA A 44 11.622 3.456 -11.209 1.00 0.33 H new ATOM 0 HA ALA A 44 10.193 1.312 -10.067 1.00 0.33 H new ATOM 0 HB1 ALA A 44 11.106 0.051 -11.982 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.482 1.642 -12.478 1.00 0.38 H new ATOM 0 HB3 ALA A 44 12.235 1.386 -12.316 1.00 0.38 H new ATOM 442 N ASP A 45 13.473 1.218 -9.742 1.00 0.36 N ATOM 443 CA ASP A 45 14.563 0.598 -8.994 1.00 0.38 C ATOM 444 C ASP A 45 14.351 0.755 -7.494 1.00 0.36 C ATOM 445 O ASP A 45 14.656 -0.151 -6.711 1.00 0.37 O ATOM 446 CB ASP A 45 15.904 1.208 -9.398 1.00 0.48 C ATOM 447 CG ASP A 45 17.055 0.653 -8.584 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.432 -0.517 -8.797 1.00 1.81 O ATOM 449 OD2 ASP A 45 17.591 1.388 -7.728 1.00 1.84 O ATOM 0 H ASP A 45 13.762 1.987 -10.347 1.00 0.36 H new ATOM 0 HA ASP A 45 14.572 -0.465 -9.233 1.00 0.38 H new ATOM 0 HB2 ASP A 45 16.084 1.017 -10.456 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.861 2.290 -9.273 1.00 0.48 H new ATOM 454 N SER A 46 13.821 1.904 -7.099 1.00 0.38 N ATOM 455 CA SER A 46 13.507 2.163 -5.702 1.00 0.41 C ATOM 456 C SER A 46 12.421 1.203 -5.220 1.00 0.36 C ATOM 457 O SER A 46 12.499 0.662 -4.120 1.00 0.39 O ATOM 458 CB SER A 46 13.056 3.614 -5.522 1.00 0.51 C ATOM 459 OG SER A 46 14.053 4.517 -5.974 1.00 0.98 O ATOM 0 H SER A 46 13.599 2.674 -7.730 1.00 0.38 H new ATOM 0 HA SER A 46 14.404 2.002 -5.104 1.00 0.41 H new ATOM 0 HB2 SER A 46 12.131 3.782 -6.074 1.00 0.51 H new ATOM 0 HB3 SER A 46 12.839 3.803 -4.471 1.00 0.51 H new ATOM 0 HG SER A 46 13.943 4.672 -6.935 1.00 0.98 H new ATOM 465 N LEU A 47 11.421 0.976 -6.065 1.00 0.32 N ATOM 466 CA LEU A 47 10.342 0.050 -5.741 1.00 0.30 C ATOM 467 C LEU A 47 10.858 -1.380 -5.638 1.00 0.27 C ATOM 468 O LEU A 47 10.317 -2.185 -4.886 1.00 0.29 O ATOM 469 CB LEU A 47 9.230 0.126 -6.790 1.00 0.30 C ATOM 470 CG LEU A 47 8.428 1.430 -6.795 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.364 1.398 -7.881 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.794 1.663 -5.433 1.00 0.41 C ATOM 0 H LEU A 47 11.335 1.420 -6.979 1.00 0.32 H new ATOM 0 HA LEU A 47 9.936 0.343 -4.773 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.672 -0.014 -7.776 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.543 -0.704 -6.629 1.00 0.30 H new ATOM 0 HG LEU A 47 9.108 2.255 -7.007 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.804 2.333 -7.869 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.840 1.272 -8.853 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.684 0.566 -7.700 1.00 0.39 H new ATOM 0 HD21 LEU A 47 7.227 2.594 -5.450 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.126 0.835 -5.196 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.574 1.728 -4.675 1.00 0.41 H new ATOM 484 N ASN A 48 11.906 -1.685 -6.392 1.00 0.26 N ATOM 485 CA ASN A 48 12.503 -3.016 -6.370 1.00 0.26 C ATOM 486 C ASN A 48 13.053 -3.341 -4.983 1.00 0.28 C ATOM 487 O ASN A 48 12.605 -4.291 -4.343 1.00 0.32 O ATOM 488 CB ASN A 48 13.620 -3.129 -7.414 1.00 0.28 C ATOM 489 CG ASN A 48 13.113 -3.077 -8.845 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.790 -2.558 -9.734 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.935 -3.633 -9.087 1.00 0.40 N ATOM 0 H ASN A 48 12.361 -1.029 -7.027 1.00 0.26 H new ATOM 0 HA ASN A 48 11.722 -3.736 -6.614 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.335 -2.321 -7.260 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.158 -4.064 -7.260 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.560 -3.641 -10.036 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.403 -4.053 -8.325 1.00 0.40 H new ATOM 498 N VAL A 49 14.002 -2.533 -4.512 1.00 0.27 N ATOM 499 CA VAL A 49 14.604 -2.751 -3.197 1.00 0.29 C ATOM 500 C VAL A 49 13.554 -2.623 -2.094 1.00 0.30 C ATOM 501 O VAL A 49 13.570 -3.371 -1.113 1.00 0.32 O ATOM 502 CB VAL A 49 15.783 -1.778 -2.924 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.340 -0.324 -2.996 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.424 -2.071 -1.573 1.00 0.36 C ATOM 0 H VAL A 49 14.369 -1.727 -5.017 1.00 0.27 H new ATOM 0 HA VAL A 49 15.004 -3.765 -3.195 1.00 0.29 H new ATOM 0 HB VAL A 49 16.525 -1.939 -3.706 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.192 0.326 -2.799 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.944 -0.113 -3.989 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.566 -0.142 -2.251 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.247 -1.377 -1.403 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.681 -1.953 -0.784 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.803 -3.093 -1.564 1.00 0.36 H new ATOM 508 N ALA A 50 12.624 -1.692 -2.278 1.00 0.30 N ATOM 509 CA ALA A 50 11.547 -1.489 -1.324 1.00 0.34 C ATOM 510 C ALA A 50 10.671 -2.729 -1.231 1.00 0.34 C ATOM 511 O ALA A 50 10.184 -3.074 -0.161 1.00 0.37 O ATOM 512 CB ALA A 50 10.709 -0.284 -1.716 1.00 0.37 C ATOM 0 H ALA A 50 12.597 -1.066 -3.083 1.00 0.30 H new ATOM 0 HA ALA A 50 11.990 -1.304 -0.345 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.907 -0.147 -0.991 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.338 0.606 -1.734 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.280 -0.445 -2.705 1.00 0.37 H new ATOM 518 N MET A 51 10.496 -3.408 -2.356 1.00 0.34 N ATOM 519 CA MET A 51 9.615 -4.561 -2.423 1.00 0.39 C ATOM 520 C MET A 51 10.205 -5.740 -1.672 1.00 0.31 C ATOM 521 O MET A 51 9.478 -6.483 -1.012 1.00 0.30 O ATOM 522 CB MET A 51 9.347 -4.941 -3.871 1.00 0.52 C ATOM 523 CG MET A 51 8.173 -5.885 -4.040 1.00 0.62 C ATOM 524 SD MET A 51 7.446 -5.763 -5.679 1.00 0.65 S ATOM 525 CE MET A 51 7.184 -3.993 -5.758 1.00 0.41 C ATOM 0 H MET A 51 10.955 -3.178 -3.237 1.00 0.34 H new ATOM 0 HA MET A 51 8.671 -4.292 -1.949 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.161 -4.035 -4.448 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.240 -5.406 -4.288 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.502 -6.909 -3.864 1.00 0.62 H new ATOM 0 HG3 MET A 51 7.415 -5.660 -3.289 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.520 -3.760 -6.590 1.00 0.41 H new ATOM 0 HE2 MET A 51 6.733 -3.650 -4.827 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.140 -3.490 -5.905 1.00 0.41 H new ATOM 535 N ASP A 52 11.517 -5.914 -1.774 1.00 0.31 N ATOM 536 CA ASP A 52 12.201 -6.937 -0.994 1.00 0.32 C ATOM 537 C ASP A 52 12.027 -6.642 0.484 1.00 0.28 C ATOM 538 O ASP A 52 11.784 -7.542 1.287 1.00 0.30 O ATOM 539 CB ASP A 52 13.691 -7.004 -1.342 1.00 0.42 C ATOM 540 CG ASP A 52 13.943 -7.587 -2.715 1.00 1.16 C ATOM 541 OD1 ASP A 52 13.926 -8.829 -2.853 1.00 1.99 O ATOM 542 OD2 ASP A 52 14.169 -6.808 -3.663 1.00 1.84 O ATOM 0 H ASP A 52 12.124 -5.365 -2.383 1.00 0.31 H new ATOM 0 HA ASP A 52 11.760 -7.904 -1.234 1.00 0.32 H new ATOM 0 HB2 ASP A 52 14.117 -6.002 -1.293 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.208 -7.607 -0.595 1.00 0.42 H new ATOM 547 N CYS A 53 12.122 -5.363 0.823 1.00 0.27 N ATOM 548 CA CYS A 53 11.901 -4.904 2.184 1.00 0.27 C ATOM 549 C CYS A 53 10.485 -5.244 2.648 1.00 0.29 C ATOM 550 O CYS A 53 10.308 -5.844 3.703 1.00 0.36 O ATOM 551 CB CYS A 53 12.143 -3.397 2.273 1.00 0.36 C ATOM 552 SG CYS A 53 13.823 -2.896 1.836 1.00 1.05 S ATOM 0 H CYS A 53 12.353 -4.619 0.164 1.00 0.27 H new ATOM 0 HA CYS A 53 12.605 -5.415 2.841 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.440 -2.887 1.615 1.00 0.36 H new ATOM 0 HB3 CYS A 53 11.928 -3.064 3.288 1.00 0.36 H new ATOM 0 HG CYS A 53 14.046 -3.171 0.585 1.00 1.05 H new ATOM 558 N ILE A 54 9.484 -4.870 1.847 1.00 0.26 N ATOM 559 CA ILE A 54 8.083 -5.161 2.169 1.00 0.29 C ATOM 560 C ILE A 54 7.885 -6.660 2.383 1.00 0.30 C ATOM 561 O ILE A 54 7.379 -7.095 3.417 1.00 0.33 O ATOM 562 CB ILE A 54 7.119 -4.706 1.043 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.340 -3.236 0.679 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.671 -4.926 1.470 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.594 -2.795 -0.570 1.00 0.34 C ATOM 0 H ILE A 54 9.617 -4.365 0.971 1.00 0.26 H new ATOM 0 HA ILE A 54 7.853 -4.608 3.079 1.00 0.29 H new ATOM 0 HB ILE A 54 7.330 -5.308 0.159 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.027 -2.613 1.517 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.406 -3.064 0.534 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.003 -4.603 0.671 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.508 -5.984 1.673 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.466 -4.348 2.371 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.800 -1.742 -0.764 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.924 -3.392 -1.420 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.523 -2.934 -0.422 1.00 0.34 H new ATOM 572 N SER A 55 8.315 -7.439 1.399 1.00 0.30 N ATOM 573 CA SER A 55 8.114 -8.879 1.402 1.00 0.36 C ATOM 574 C SER A 55 8.764 -9.537 2.617 1.00 0.38 C ATOM 575 O SER A 55 8.112 -10.277 3.358 1.00 0.41 O ATOM 576 CB SER A 55 8.679 -9.476 0.112 1.00 0.40 C ATOM 577 OG SER A 55 8.148 -8.815 -1.026 1.00 0.80 O ATOM 0 H SER A 55 8.811 -7.090 0.579 1.00 0.30 H new ATOM 0 HA SER A 55 7.043 -9.073 1.459 1.00 0.36 H new ATOM 0 HB2 SER A 55 9.766 -9.391 0.113 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.442 -10.539 0.064 1.00 0.40 H new ATOM 0 HG SER A 55 8.603 -7.955 -1.147 1.00 0.80 H new ATOM 583 N GLU A 56 10.040 -9.241 2.837 1.00 0.39 N ATOM 584 CA GLU A 56 10.804 -9.881 3.898 1.00 0.48 C ATOM 585 C GLU A 56 10.322 -9.425 5.277 1.00 0.43 C ATOM 586 O GLU A 56 10.292 -10.210 6.224 1.00 0.46 O ATOM 587 CB GLU A 56 12.291 -9.573 3.723 1.00 0.60 C ATOM 588 CG GLU A 56 13.205 -10.469 4.541 1.00 0.83 C ATOM 589 CD GLU A 56 13.027 -11.936 4.207 1.00 1.81 C ATOM 590 OE1 GLU A 56 13.208 -12.309 3.029 1.00 2.66 O ATOM 591 OE2 GLU A 56 12.719 -12.725 5.122 1.00 2.38 O ATOM 0 H GLU A 56 10.568 -8.559 2.292 1.00 0.39 H new ATOM 0 HA GLU A 56 10.651 -10.958 3.832 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.551 -9.671 2.669 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.472 -8.535 4.001 1.00 0.60 H new ATOM 0 HG2 GLU A 56 14.242 -10.183 4.365 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.007 -10.314 5.602 1.00 0.83 H new ATOM 598 N ALA A 57 9.932 -8.157 5.379 1.00 0.39 N ATOM 599 CA ALA A 57 9.469 -7.597 6.643 1.00 0.39 C ATOM 600 C ALA A 57 8.173 -8.255 7.100 1.00 0.33 C ATOM 601 O ALA A 57 8.003 -8.551 8.283 1.00 0.39 O ATOM 602 CB ALA A 57 9.284 -6.093 6.523 1.00 0.42 C ATOM 0 H ALA A 57 9.928 -7.498 4.600 1.00 0.39 H new ATOM 0 HA ALA A 57 10.231 -7.799 7.395 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.938 -5.692 7.476 1.00 0.42 H new ATOM 0 HB2 ALA A 57 10.234 -5.630 6.258 1.00 0.42 H new ATOM 0 HB3 ALA A 57 8.547 -5.878 5.750 1.00 0.42 H new ATOM 608 N PHE A 58 7.261 -8.479 6.161 1.00 0.29 N ATOM 609 CA PHE A 58 5.981 -9.096 6.482 1.00 0.28 C ATOM 610 C PHE A 58 6.099 -10.615 6.546 1.00 0.30 C ATOM 611 O PHE A 58 5.374 -11.275 7.293 1.00 0.38 O ATOM 612 CB PHE A 58 4.923 -8.697 5.453 1.00 0.26 C ATOM 613 CG PHE A 58 4.406 -7.297 5.624 1.00 0.25 C ATOM 614 CD1 PHE A 58 5.155 -6.205 5.222 1.00 1.24 C ATOM 615 CD2 PHE A 58 3.164 -7.077 6.192 1.00 1.18 C ATOM 616 CE1 PHE A 58 4.675 -4.919 5.381 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.677 -5.795 6.354 1.00 1.22 C ATOM 618 CZ PHE A 58 3.433 -4.715 5.949 1.00 0.28 C ATOM 0 H PHE A 58 7.384 -8.244 5.176 1.00 0.29 H new ATOM 0 HA PHE A 58 5.676 -8.736 7.465 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.346 -8.798 4.453 1.00 0.26 H new ATOM 0 HB3 PHE A 58 4.087 -9.393 5.517 1.00 0.26 H new ATOM 0 HD1 PHE A 58 6.127 -6.360 4.778 1.00 1.24 H new ATOM 0 HD2 PHE A 58 2.568 -7.918 6.513 1.00 1.18 H new ATOM 0 HE1 PHE A 58 5.270 -4.076 5.062 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.705 -5.638 6.798 1.00 1.22 H new ATOM 0 HZ PHE A 58 3.054 -3.712 6.076 1.00 0.28 H new ATOM 628 N GLY A 59 7.025 -11.161 5.772 1.00 0.34 N ATOM 629 CA GLY A 59 7.275 -12.587 5.809 1.00 0.39 C ATOM 630 C GLY A 59 6.619 -13.335 4.664 1.00 0.38 C ATOM 631 O GLY A 59 6.136 -14.452 4.845 1.00 0.43 O ATOM 0 H GLY A 59 7.609 -10.641 5.117 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.350 -12.762 5.781 1.00 0.39 H new ATOM 0 HA3 GLY A 59 6.911 -12.989 6.754 1.00 0.39 H new ATOM 635 N PHE A 60 6.600 -12.729 3.486 1.00 0.35 N ATOM 636 CA PHE A 60 6.044 -13.380 2.306 1.00 0.39 C ATOM 637 C PHE A 60 6.928 -13.095 1.101 1.00 0.40 C ATOM 638 O PHE A 60 7.711 -12.147 1.113 1.00 0.42 O ATOM 639 CB PHE A 60 4.606 -12.908 2.040 1.00 0.40 C ATOM 640 CG PHE A 60 4.497 -11.512 1.489 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.567 -10.412 2.324 1.00 1.19 C ATOM 642 CD2 PHE A 60 4.321 -11.304 0.128 1.00 1.22 C ATOM 643 CE1 PHE A 60 4.465 -9.132 1.815 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.218 -10.028 -0.384 1.00 1.20 C ATOM 645 CZ PHE A 60 4.291 -8.940 0.460 1.00 0.33 C ATOM 0 H PHE A 60 6.962 -11.790 3.321 1.00 0.35 H new ATOM 0 HA PHE A 60 6.014 -14.455 2.484 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.134 -13.598 1.341 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.042 -12.962 2.971 1.00 0.40 H new ATOM 0 HD1 PHE A 60 4.703 -10.555 3.386 1.00 1.19 H new ATOM 0 HD2 PHE A 60 4.264 -12.152 -0.538 1.00 1.22 H new ATOM 0 HE1 PHE A 60 4.521 -8.281 2.478 1.00 1.22 H new ATOM 0 HE2 PHE A 60 4.080 -9.881 -1.445 1.00 1.20 H new ATOM 0 HZ PHE A 60 4.212 -7.939 0.061 1.00 0.33 H new ATOM 655 N GLU A 61 6.819 -13.920 0.076 1.00 0.48 N ATOM 656 CA GLU A 61 7.603 -13.737 -1.136 1.00 0.55 C ATOM 657 C GLU A 61 6.749 -13.136 -2.246 1.00 0.50 C ATOM 658 O GLU A 61 5.530 -13.299 -2.274 1.00 0.48 O ATOM 659 CB GLU A 61 8.201 -15.068 -1.587 1.00 0.70 C ATOM 660 CG GLU A 61 9.338 -15.555 -0.701 1.00 0.81 C ATOM 661 CD GLU A 61 10.519 -14.603 -0.699 1.00 1.48 C ATOM 662 OE1 GLU A 61 11.212 -14.507 -1.734 1.00 2.05 O ATOM 663 OE2 GLU A 61 10.758 -13.939 0.328 1.00 2.33 O ATOM 0 H GLU A 61 6.194 -14.726 0.057 1.00 0.48 H new ATOM 0 HA GLU A 61 8.416 -13.045 -0.917 1.00 0.55 H new ATOM 0 HB2 GLU A 61 7.415 -15.823 -1.603 1.00 0.70 H new ATOM 0 HB3 GLU A 61 8.566 -14.965 -2.609 1.00 0.70 H new ATOM 0 HG2 GLU A 61 8.973 -15.679 0.319 1.00 0.81 H new ATOM 0 HG3 GLU A 61 9.667 -16.536 -1.043 1.00 0.81 H new ATOM 670 N ARG A 62 7.419 -12.454 -3.169 1.00 0.54 N ATOM 671 CA ARG A 62 6.764 -11.681 -4.223 1.00 0.53 C ATOM 672 C ARG A 62 5.968 -12.557 -5.184 1.00 0.53 C ATOM 673 O ARG A 62 5.109 -12.062 -5.907 1.00 0.64 O ATOM 674 CB ARG A 62 7.806 -10.877 -5.000 1.00 0.63 C ATOM 675 CG ARG A 62 8.506 -9.820 -4.164 1.00 1.40 C ATOM 676 CD ARG A 62 9.692 -9.219 -4.903 1.00 1.46 C ATOM 677 NE ARG A 62 10.743 -10.206 -5.148 1.00 2.25 N ATOM 678 CZ ARG A 62 11.971 -9.899 -5.559 1.00 2.60 C ATOM 679 NH1 ARG A 62 12.298 -8.637 -5.792 1.00 2.13 N ATOM 680 NH2 ARG A 62 12.873 -10.857 -5.738 1.00 3.67 N ATOM 0 H ARG A 62 8.438 -12.421 -3.209 1.00 0.54 H new ATOM 0 HA ARG A 62 6.057 -11.009 -3.737 1.00 0.53 H new ATOM 0 HB2 ARG A 62 8.552 -11.561 -5.405 1.00 0.63 H new ATOM 0 HB3 ARG A 62 7.321 -10.395 -5.849 1.00 0.63 H new ATOM 0 HG2 ARG A 62 7.799 -9.031 -3.907 1.00 1.40 H new ATOM 0 HG3 ARG A 62 8.846 -10.262 -3.227 1.00 1.40 H new ATOM 0 HD2 ARG A 62 9.355 -8.805 -5.853 1.00 1.46 H new ATOM 0 HD3 ARG A 62 10.100 -8.392 -4.322 1.00 1.46 H new ATOM 0 HE ARG A 62 10.521 -11.190 -4.995 1.00 2.25 H new ATOM 0 HH11 ARG A 62 11.608 -7.898 -5.656 1.00 2.13 H new ATOM 0 HH12 ARG A 62 13.240 -8.404 -6.107 1.00 2.13 H new ATOM 0 HH21 ARG A 62 12.625 -11.830 -5.560 1.00 3.67 H new ATOM 0 HH22 ARG A 62 13.814 -10.619 -6.053 1.00 3.67 H new ATOM 694 N GLU A 63 6.255 -13.850 -5.201 1.00 0.58 N ATOM 695 CA GLU A 63 5.525 -14.770 -6.063 1.00 0.64 C ATOM 696 C GLU A 63 4.316 -15.348 -5.338 1.00 0.63 C ATOM 697 O GLU A 63 3.492 -16.033 -5.934 1.00 0.75 O ATOM 698 CB GLU A 63 6.436 -15.902 -6.537 1.00 0.74 C ATOM 699 CG GLU A 63 7.621 -15.427 -7.357 1.00 1.70 C ATOM 700 CD GLU A 63 8.512 -16.564 -7.794 1.00 2.53 C ATOM 701 OE1 GLU A 63 9.266 -17.094 -6.948 1.00 3.12 O ATOM 702 OE2 GLU A 63 8.468 -16.936 -8.984 1.00 3.20 O ATOM 0 H GLU A 63 6.982 -14.284 -4.633 1.00 0.58 H new ATOM 0 HA GLU A 63 5.177 -14.210 -6.931 1.00 0.64 H new ATOM 0 HB2 GLU A 63 6.802 -16.450 -5.669 1.00 0.74 H new ATOM 0 HB3 GLU A 63 5.851 -16.603 -7.132 1.00 0.74 H new ATOM 0 HG2 GLU A 63 7.260 -14.893 -8.236 1.00 1.70 H new ATOM 0 HG3 GLU A 63 8.204 -14.717 -6.770 1.00 1.70 H new ATOM 709 N ALA A 64 4.208 -15.060 -4.048 1.00 0.55 N ATOM 710 CA ALA A 64 3.123 -15.593 -3.233 1.00 0.60 C ATOM 711 C ALA A 64 1.985 -14.588 -3.104 1.00 0.54 C ATOM 712 O ALA A 64 0.948 -14.882 -2.510 1.00 0.57 O ATOM 713 CB ALA A 64 3.644 -15.979 -1.857 1.00 0.67 C ATOM 0 H ALA A 64 4.859 -14.459 -3.542 1.00 0.55 H new ATOM 0 HA ALA A 64 2.732 -16.481 -3.729 1.00 0.60 H new ATOM 0 HB1 ALA A 64 2.826 -16.376 -1.256 1.00 0.67 H new ATOM 0 HB2 ALA A 64 4.419 -16.738 -1.961 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.061 -15.100 -1.366 1.00 0.67 H new ATOM 719 N VAL A 65 2.183 -13.407 -3.681 1.00 0.51 N ATOM 720 CA VAL A 65 1.207 -12.323 -3.589 1.00 0.47 C ATOM 721 C VAL A 65 -0.164 -12.742 -4.131 1.00 0.53 C ATOM 722 O VAL A 65 -1.191 -12.483 -3.504 1.00 0.54 O ATOM 723 CB VAL A 65 1.706 -11.052 -4.325 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.144 -11.366 -5.744 1.00 0.51 C ATOM 725 CG2 VAL A 65 0.637 -9.972 -4.339 1.00 0.50 C ATOM 0 H VAL A 65 3.016 -13.174 -4.221 1.00 0.51 H new ATOM 0 HA VAL A 65 1.094 -12.090 -2.530 1.00 0.47 H new ATOM 0 HB VAL A 65 2.570 -10.682 -3.774 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.487 -10.452 -6.229 1.00 0.51 H new ATOM 0 HG12 VAL A 65 2.956 -12.092 -5.722 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.303 -11.779 -6.301 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.015 -9.093 -4.861 1.00 0.50 H new ATOM 0 HG22 VAL A 65 -0.250 -10.345 -4.851 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.379 -9.702 -3.315 1.00 0.50 H new ATOM 729 N SER A 66 -0.174 -13.413 -5.275 1.00 0.63 N ATOM 730 CA SER A 66 -1.417 -13.823 -5.913 1.00 0.75 C ATOM 731 C SER A 66 -2.163 -14.844 -5.054 1.00 0.76 C ATOM 732 O SER A 66 -3.395 -14.839 -4.992 1.00 0.84 O ATOM 733 CB SER A 66 -1.119 -14.394 -7.298 1.00 0.89 C ATOM 734 OG SER A 66 -0.360 -13.472 -8.065 1.00 1.63 O ATOM 0 H SER A 66 0.668 -13.686 -5.782 1.00 0.63 H new ATOM 0 HA SER A 66 -2.061 -12.950 -6.020 1.00 0.75 H new ATOM 0 HB2 SER A 66 -0.572 -15.332 -7.201 1.00 0.89 H new ATOM 0 HB3 SER A 66 -2.053 -14.621 -7.812 1.00 0.89 H new ATOM 0 HG SER A 66 -0.177 -13.854 -8.948 1.00 1.63 H new ATOM 740 N GLY A 67 -1.408 -15.705 -4.383 1.00 0.73 N ATOM 741 CA GLY A 67 -2.001 -16.686 -3.499 1.00 0.75 C ATOM 742 C GLY A 67 -2.607 -16.047 -2.270 1.00 0.70 C ATOM 743 O GLY A 67 -3.653 -16.480 -1.787 1.00 0.76 O ATOM 0 H GLY A 67 -0.390 -15.740 -4.437 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -2.770 -17.240 -4.036 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -1.242 -17.407 -3.196 1.00 0.75 H new ATOM 747 N ILE A 68 -1.948 -15.010 -1.766 1.00 0.63 N ATOM 748 CA ILE A 68 -2.452 -14.262 -0.621 1.00 0.59 C ATOM 749 C ILE A 68 -3.737 -13.528 -0.994 1.00 0.63 C ATOM 750 O ILE A 68 -4.716 -13.534 -0.241 1.00 0.71 O ATOM 751 CB ILE A 68 -1.409 -13.242 -0.113 1.00 0.51 C ATOM 752 CG1 ILE A 68 -0.126 -13.957 0.319 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.976 -12.426 1.041 1.00 0.50 C ATOM 754 CD1 ILE A 68 0.974 -13.017 0.762 1.00 0.45 C ATOM 0 H ILE A 68 -1.061 -14.667 -2.134 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.656 -14.976 0.177 1.00 0.59 H new ATOM 0 HB ILE A 68 -1.168 -12.562 -0.930 1.00 0.51 H new ATOM 0 HG12 ILE A 68 -0.359 -14.640 1.136 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.238 -14.563 -0.510 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -1.227 -11.713 1.385 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.862 -11.887 0.705 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -2.246 -13.093 1.860 1.00 0.50 H new ATOM 0 HD11 ILE A 68 1.851 -13.595 1.053 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.235 -12.350 -0.059 1.00 0.45 H new ATOM 0 HD13 ILE A 68 0.629 -12.428 1.612 1.00 0.45 H new ATOM 761 N LEU A 69 -3.728 -12.908 -2.168 1.00 0.62 N ATOM 762 CA LEU A 69 -4.886 -12.179 -2.667 1.00 0.67 C ATOM 763 C LEU A 69 -6.063 -13.121 -2.893 1.00 0.85 C ATOM 764 O LEU A 69 -7.198 -12.804 -2.540 1.00 1.14 O ATOM 765 CB LEU A 69 -4.536 -11.450 -3.967 1.00 0.62 C ATOM 766 CG LEU A 69 -3.441 -10.388 -3.840 1.00 0.47 C ATOM 767 CD1 LEU A 69 -3.085 -9.814 -5.201 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.882 -9.280 -2.898 1.00 0.45 C ATOM 0 H LEU A 69 -2.924 -12.896 -2.796 1.00 0.62 H new ATOM 0 HA LEU A 69 -5.174 -11.443 -1.917 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -4.222 -12.187 -4.706 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -5.438 -10.976 -4.354 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.552 -10.864 -3.426 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -2.305 -9.061 -5.086 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -2.726 -10.613 -5.850 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.969 -9.356 -5.645 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.092 -8.533 -2.819 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.787 -8.811 -3.286 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -4.084 -9.699 -1.913 1.00 0.45 H new ATOM 780 N GLY A 70 -5.777 -14.293 -3.449 1.00 0.81 N ATOM 781 CA GLY A 70 -6.822 -15.257 -3.745 1.00 0.94 C ATOM 782 C GLY A 70 -7.553 -15.740 -2.508 1.00 0.99 C ATOM 783 O GLY A 70 -8.713 -16.147 -2.583 1.00 1.25 O ATOM 0 H GLY A 70 -4.836 -14.594 -3.701 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -7.539 -14.807 -4.431 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -6.384 -16.113 -4.258 1.00 0.94 H new ATOM 787 N LYS A 71 -6.884 -15.688 -1.364 1.00 0.87 N ATOM 788 CA LYS A 71 -7.469 -16.156 -0.118 1.00 0.98 C ATOM 789 C LYS A 71 -8.115 -15.012 0.659 1.00 0.99 C ATOM 790 O LYS A 71 -8.669 -15.224 1.737 1.00 1.26 O ATOM 791 CB LYS A 71 -6.404 -16.821 0.752 1.00 1.11 C ATOM 792 CG LYS A 71 -5.743 -18.030 0.111 1.00 1.69 C ATOM 793 CD LYS A 71 -4.755 -18.685 1.061 1.00 2.11 C ATOM 794 CE LYS A 71 -4.031 -19.849 0.405 1.00 2.60 C ATOM 795 NZ LYS A 71 -3.193 -19.409 -0.741 1.00 3.16 N ATOM 0 H LYS A 71 -5.935 -15.326 -1.275 1.00 0.87 H new ATOM 0 HA LYS A 71 -8.241 -16.882 -0.371 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -5.636 -16.086 0.992 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -6.859 -17.126 1.694 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -6.505 -18.753 -0.180 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -5.228 -17.726 -0.800 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -4.027 -17.946 1.395 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -5.282 -19.037 1.948 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -3.403 -20.348 1.143 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -4.761 -20.582 0.060 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -3.557 -19.830 -1.619 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -3.224 -18.372 -0.816 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -2.211 -19.716 -0.591 1.00 3.16 H new ATOM 809 N SER A 72 -8.059 -13.805 0.116 1.00 0.92 N ATOM 810 CA SER A 72 -8.535 -12.637 0.841 1.00 1.08 C ATOM 811 C SER A 72 -9.676 -11.928 0.113 1.00 1.04 C ATOM 812 O SER A 72 -10.177 -12.414 -0.904 1.00 1.21 O ATOM 813 CB SER A 72 -7.375 -11.671 1.088 1.00 1.30 C ATOM 814 OG SER A 72 -6.667 -11.406 -0.109 1.00 2.02 O ATOM 0 H SER A 72 -7.692 -13.610 -0.816 1.00 0.92 H new ATOM 0 HA SER A 72 -8.933 -12.981 1.796 1.00 1.08 H new ATOM 0 HB2 SER A 72 -7.757 -10.738 1.502 1.00 1.30 H new ATOM 0 HB3 SER A 72 -6.697 -12.094 1.829 1.00 1.30 H new ATOM 0 HG SER A 72 -5.974 -12.087 -0.237 1.00 2.02 H new ATOM 820 N GLU A 73 -10.075 -10.777 0.646 1.00 1.13 N ATOM 821 CA GLU A 73 -11.150 -9.966 0.075 1.00 1.31 C ATOM 822 C GLU A 73 -10.762 -9.406 -1.288 1.00 1.26 C ATOM 823 O GLU A 73 -11.616 -9.000 -2.075 1.00 1.87 O ATOM 824 CB GLU A 73 -11.454 -8.794 1.011 1.00 1.67 C ATOM 825 CG GLU A 73 -11.805 -9.210 2.424 1.00 1.87 C ATOM 826 CD GLU A 73 -13.122 -9.938 2.498 1.00 2.12 C ATOM 827 OE1 GLU A 73 -13.161 -11.140 2.178 1.00 2.46 O ATOM 828 OE2 GLU A 73 -14.123 -9.310 2.894 1.00 2.64 O ATOM 0 H GLU A 73 -9.662 -10.378 1.489 1.00 1.13 H new ATOM 0 HA GLU A 73 -12.024 -10.606 -0.044 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -10.588 -8.133 1.042 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -12.281 -8.217 0.597 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -11.016 -9.851 2.818 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -11.845 -8.326 3.061 1.00 1.87 H new ATOM 835 N PHE A 74 -9.468 -9.383 -1.548 1.00 1.04 N ATOM 836 CA PHE A 74 -8.933 -8.688 -2.706 1.00 1.02 C ATOM 837 C PHE A 74 -8.981 -9.566 -3.951 1.00 1.08 C ATOM 838 O PHE A 74 -9.086 -9.058 -5.070 1.00 1.45 O ATOM 839 CB PHE A 74 -7.506 -8.240 -2.403 1.00 0.94 C ATOM 840 CG PHE A 74 -7.361 -7.674 -1.015 1.00 0.96 C ATOM 841 CD1 PHE A 74 -8.238 -6.701 -0.552 1.00 1.61 C ATOM 842 CD2 PHE A 74 -6.361 -8.122 -0.169 1.00 1.18 C ATOM 843 CE1 PHE A 74 -8.114 -6.187 0.724 1.00 1.70 C ATOM 844 CE2 PHE A 74 -6.233 -7.610 1.109 1.00 1.25 C ATOM 845 CZ PHE A 74 -7.110 -6.643 1.556 1.00 1.19 C ATOM 0 H PHE A 74 -8.763 -9.840 -0.969 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.549 -7.813 -2.912 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -6.830 -9.088 -2.519 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.202 -7.489 -3.132 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.026 -6.342 -1.197 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -5.673 -8.880 -0.511 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -8.801 -5.429 1.071 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -5.447 -7.967 1.757 1.00 1.25 H new ATOM 0 HZ PHE A 74 -7.012 -6.243 2.555 1.00 1.19 H new ATOM 901 N HIS A 78 -5.985 -4.950 -8.272 1.00 0.88 N ATOM 902 CA HIS A 78 -4.955 -4.013 -7.848 1.00 0.85 C ATOM 903 C HIS A 78 -5.464 -3.140 -6.710 1.00 0.69 C ATOM 904 O HIS A 78 -6.659 -2.843 -6.629 1.00 0.68 O ATOM 905 CB HIS A 78 -4.503 -3.118 -9.010 1.00 1.02 C ATOM 906 CG HIS A 78 -4.003 -3.862 -10.212 1.00 1.16 C ATOM 907 ND1 HIS A 78 -2.987 -4.746 -10.354 1.00 1.50 N flip ATOM 908 CD2 HIS A 78 -4.556 -3.714 -11.467 1.00 1.41 C flip ATOM 909 CE1 HIS A 78 -2.948 -5.109 -11.676 1.00 1.96 C flip ATOM 910 NE2 HIS A 78 -3.903 -4.474 -12.325 1.00 1.85 N flip ATOM 0 HA HIS A 78 -4.102 -4.598 -7.505 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -5.339 -2.486 -9.311 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -3.714 -2.455 -8.655 1.00 1.02 H new ATOM 0 HD1 HIS A 78 -2.367 -5.079 -9.616 1.00 1.50 H new ATOM 0 HD2 HIS A 78 -5.393 -3.076 -11.709 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -2.247 -5.804 -12.115 1.00 1.96 H new ATOM 919 N LEU A 79 -4.547 -2.726 -5.845 1.00 0.60 N ATOM 920 CA LEU A 79 -4.871 -1.856 -4.715 1.00 0.46 C ATOM 921 C LEU A 79 -5.571 -0.582 -5.187 1.00 0.44 C ATOM 922 O LEU A 79 -6.503 -0.093 -4.546 1.00 0.42 O ATOM 923 CB LEU A 79 -3.586 -1.488 -3.966 1.00 0.44 C ATOM 924 CG LEU A 79 -3.770 -0.606 -2.729 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.593 -1.322 -1.673 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.419 -0.198 -2.163 1.00 0.41 C ATOM 0 H LEU A 79 -3.561 -2.981 -5.904 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.547 -2.393 -4.050 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.088 -2.409 -3.663 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -2.917 -0.977 -4.658 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.308 0.293 -3.028 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.710 -0.676 -0.803 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.575 -1.565 -2.080 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -4.086 -2.240 -1.377 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.567 0.429 -1.284 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.858 -1.089 -1.883 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.862 0.359 -2.916 1.00 0.41 H new ATOM 938 N ALA A 80 -5.126 -0.066 -6.323 1.00 0.50 N ATOM 939 CA ALA A 80 -5.633 1.192 -6.847 1.00 0.54 C ATOM 940 C ALA A 80 -7.090 1.084 -7.282 1.00 0.58 C ATOM 941 O ALA A 80 -7.865 2.012 -7.076 1.00 0.61 O ATOM 942 CB ALA A 80 -4.769 1.654 -8.000 1.00 0.63 C ATOM 0 H ALA A 80 -4.410 -0.503 -6.903 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.591 1.929 -6.045 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.154 2.597 -8.388 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -3.745 1.795 -7.654 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -4.784 0.903 -8.790 1.00 0.63 H new ATOM 948 N ASP A 81 -7.459 -0.050 -7.878 1.00 0.64 N ATOM 949 CA ASP A 81 -8.845 -0.281 -8.294 1.00 0.70 C ATOM 950 C ASP A 81 -9.769 -0.171 -7.092 1.00 0.60 C ATOM 951 O ASP A 81 -10.864 0.393 -7.170 1.00 0.67 O ATOM 952 CB ASP A 81 -9.009 -1.667 -8.928 1.00 0.78 C ATOM 953 CG ASP A 81 -8.288 -1.807 -10.252 1.00 1.52 C ATOM 954 OD1 ASP A 81 -7.089 -2.144 -10.248 1.00 2.30 O ATOM 955 OD2 ASP A 81 -8.921 -1.594 -11.309 1.00 2.06 O ATOM 0 H ASP A 81 -6.822 -0.820 -8.083 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.104 0.475 -9.035 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.635 -2.422 -8.237 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -10.070 -1.868 -9.076 1.00 0.78 H new ATOM 960 N ILE A 82 -9.306 -0.714 -5.980 1.00 0.50 N ATOM 961 CA ILE A 82 -10.041 -0.666 -4.732 1.00 0.45 C ATOM 962 C ILE A 82 -10.110 0.762 -4.189 1.00 0.48 C ATOM 963 O ILE A 82 -11.194 1.280 -3.929 1.00 0.61 O ATOM 964 CB ILE A 82 -9.391 -1.600 -3.689 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.597 -3.063 -4.098 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.950 -1.334 -2.300 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.937 -4.058 -3.169 1.00 0.61 C ATOM 0 H ILE A 82 -8.411 -1.200 -5.918 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.058 -1.006 -4.927 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.320 -1.398 -3.655 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.666 -3.272 -4.138 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.206 -3.207 -5.105 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.477 -2.004 -1.583 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.748 -0.300 -2.018 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -11.026 -1.506 -2.302 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -9.128 -5.070 -3.525 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.862 -3.878 -3.147 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -9.345 -3.944 -2.165 1.00 0.61 H new ATOM 974 N LEU A 83 -8.951 1.396 -4.052 1.00 0.44 N ATOM 975 CA LEU A 83 -8.863 2.735 -3.467 1.00 0.52 C ATOM 976 C LEU A 83 -9.582 3.781 -4.313 1.00 0.69 C ATOM 977 O LEU A 83 -10.136 4.740 -3.779 1.00 0.83 O ATOM 978 CB LEU A 83 -7.398 3.131 -3.269 1.00 0.47 C ATOM 979 CG LEU A 83 -6.794 2.768 -1.907 1.00 0.39 C ATOM 980 CD1 LEU A 83 -7.015 1.301 -1.579 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.311 3.090 -1.892 1.00 0.42 C ATOM 0 H LEU A 83 -8.054 1.005 -4.339 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.363 2.700 -2.499 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -6.803 2.656 -4.049 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.309 4.208 -3.411 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.298 3.362 -1.145 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.575 1.075 -0.608 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -8.084 1.092 -1.551 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.544 0.682 -2.343 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.892 2.829 -0.920 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.807 2.518 -2.671 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.168 4.155 -2.074 1.00 0.42 H new ATOM 993 N ASN A 84 -9.569 3.598 -5.627 1.00 0.74 N ATOM 994 CA ASN A 84 -10.280 4.497 -6.533 1.00 0.94 C ATOM 995 C ASN A 84 -11.776 4.455 -6.248 1.00 0.97 C ATOM 996 O ASN A 84 -12.457 5.484 -6.241 1.00 1.15 O ATOM 997 CB ASN A 84 -10.013 4.102 -7.992 1.00 1.04 C ATOM 998 CG ASN A 84 -10.744 4.986 -8.988 1.00 1.27 C ATOM 999 OD1 ASN A 84 -11.897 4.730 -9.330 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -10.070 6.017 -9.479 1.00 1.79 N ATOM 0 H ASN A 84 -9.075 2.836 -6.091 1.00 0.74 H new ATOM 0 HA ASN A 84 -9.918 5.512 -6.371 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -8.942 4.153 -8.187 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.315 3.066 -8.144 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -10.507 6.631 -10.166 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -9.115 6.196 -9.169 1.00 1.79 H new ATOM 1007 N SER A 85 -12.271 3.256 -5.989 1.00 0.87 N ATOM 1008 CA SER A 85 -13.686 3.044 -5.738 1.00 0.93 C ATOM 1009 C SER A 85 -14.056 3.460 -4.315 1.00 0.91 C ATOM 1010 O SER A 85 -15.076 4.112 -4.097 1.00 1.01 O ATOM 1011 CB SER A 85 -14.023 1.572 -5.970 1.00 0.98 C ATOM 1012 OG SER A 85 -13.538 1.139 -7.233 1.00 1.50 O ATOM 0 H SER A 85 -11.707 2.407 -5.947 1.00 0.87 H new ATOM 0 HA SER A 85 -14.265 3.661 -6.425 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.584 0.964 -5.179 1.00 0.98 H new ATOM 0 HB3 SER A 85 -15.102 1.429 -5.921 1.00 0.98 H new ATOM 0 HG SER A 85 -12.593 0.891 -7.153 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.205 3.101 -3.359 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.454 3.387 -1.952 1.00 0.95 C ATOM 1020 C ALA A 86 -13.526 4.888 -1.691 1.00 1.14 C ATOM 1021 O ALA A 86 -12.837 5.679 -2.337 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.372 2.752 -1.091 1.00 1.09 C ATOM 0 H ALA A 86 -12.330 2.607 -3.536 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.420 2.958 -1.687 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.567 2.971 -0.041 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.373 1.673 -1.242 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.400 3.157 -1.372 1.00 1.09 H new ATOM 1162 N ALA B 17 -7.984 8.026 -7.445 1.00 0.94 N ATOM 1163 CA ALA B 17 -6.880 7.550 -6.634 1.00 0.81 C ATOM 1164 C ALA B 17 -5.579 7.690 -7.409 1.00 0.69 C ATOM 1165 O ALA B 17 -5.145 6.763 -8.094 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.103 6.104 -6.216 1.00 1.09 C ATOM 0 HA ALA B 17 -6.820 8.154 -5.729 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.263 5.767 -5.609 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.023 6.031 -5.636 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.183 5.477 -7.104 1.00 1.09 H new ATOM 1172 N SER B 18 -4.981 8.865 -7.324 1.00 0.64 N ATOM 1173 CA SER B 18 -3.734 9.144 -8.010 1.00 0.61 C ATOM 1174 C SER B 18 -2.588 8.401 -7.328 1.00 0.50 C ATOM 1175 O SER B 18 -2.711 8.010 -6.164 1.00 0.45 O ATOM 1176 CB SER B 18 -3.476 10.656 -8.023 1.00 0.67 C ATOM 1177 OG SER B 18 -2.329 10.990 -8.787 1.00 1.33 O ATOM 0 H SER B 18 -5.344 9.648 -6.781 1.00 0.64 H new ATOM 0 HA SER B 18 -3.801 8.797 -9.041 1.00 0.61 H new ATOM 0 HB2 SER B 18 -4.346 11.169 -8.432 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.347 11.011 -7.001 1.00 0.67 H new ATOM 0 HG SER B 18 -2.198 11.961 -8.773 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.488 8.200 -8.044 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.352 7.445 -7.519 1.00 0.43 C ATOM 1185 C LYS B 19 0.075 7.954 -6.141 1.00 0.35 C ATOM 1186 O LYS B 19 0.213 7.172 -5.197 1.00 0.28 O ATOM 1187 CB LYS B 19 0.825 7.504 -8.498 1.00 0.54 C ATOM 1188 CG LYS B 19 0.586 6.725 -9.784 1.00 0.85 C ATOM 1189 CD LYS B 19 1.768 6.821 -10.738 1.00 1.13 C ATOM 1190 CE LYS B 19 1.918 8.219 -11.319 1.00 1.74 C ATOM 1191 NZ LYS B 19 0.728 8.623 -12.117 1.00 2.10 N ATOM 0 H LYS B 19 -1.357 8.550 -8.993 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.668 6.408 -7.405 1.00 0.43 H new ATOM 0 HB2 LYS B 19 1.029 8.546 -8.746 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.716 7.113 -8.006 1.00 0.54 H new ATOM 0 HG2 LYS B 19 0.398 5.678 -9.544 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -0.309 7.105 -10.277 1.00 0.85 H new ATOM 0 HD2 LYS B 19 2.682 6.547 -10.212 1.00 1.13 H new ATOM 0 HD3 LYS B 19 1.639 6.103 -11.548 1.00 1.13 H new ATOM 0 HE2 LYS B 19 2.071 8.933 -10.510 1.00 1.74 H new ATOM 0 HE3 LYS B 19 2.807 8.256 -11.949 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 1.038 8.998 -13.036 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 0.115 7.797 -12.269 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 0.199 9.357 -11.604 1.00 2.10 H new ATOM 1205 N GLU B 20 0.242 9.268 -6.021 1.00 0.41 N ATOM 1206 CA GLU B 20 0.675 9.876 -4.765 1.00 0.42 C ATOM 1207 C GLU B 20 -0.360 9.669 -3.655 1.00 0.34 C ATOM 1208 O GLU B 20 -0.004 9.508 -2.489 1.00 0.30 O ATOM 1209 CB GLU B 20 0.946 11.371 -4.961 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.256 12.155 -5.464 1.00 0.64 C ATOM 1211 CD GLU B 20 0.053 13.619 -5.685 1.00 0.95 C ATOM 1212 OE1 GLU B 20 -0.116 14.418 -4.742 1.00 1.58 O ATOM 1213 OE2 GLU B 20 0.464 13.980 -6.808 1.00 1.49 O ATOM 0 H GLU B 20 0.084 9.933 -6.778 1.00 0.41 H new ATOM 0 HA GLU B 20 1.598 9.383 -4.460 1.00 0.42 H new ATOM 0 HB2 GLU B 20 1.275 11.798 -4.013 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.767 11.492 -5.667 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -0.605 11.716 -6.399 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.070 12.064 -4.745 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.636 9.657 -4.031 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.719 9.479 -3.069 1.00 0.39 C ATOM 1222 C GLU B 21 -2.700 8.059 -2.512 1.00 0.32 C ATOM 1223 O GLU B 21 -2.890 7.838 -1.314 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.069 9.768 -3.730 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.202 11.192 -4.255 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.562 11.469 -4.872 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -5.850 10.923 -5.953 1.00 1.49 O ATOM 1228 OE2 GLU B 21 -6.341 12.251 -4.290 1.00 1.54 O ATOM 0 H GLU B 21 -1.945 9.769 -4.997 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.575 10.181 -2.248 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.216 9.071 -4.555 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.864 9.581 -3.009 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.030 11.893 -3.438 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.427 11.373 -5.000 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.455 7.104 -3.396 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.362 5.705 -3.012 1.00 0.29 C ATOM 1237 C ILE B 22 -1.121 5.467 -2.164 1.00 0.24 C ATOM 1238 O ILE B 22 -1.190 4.837 -1.107 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.318 4.801 -4.256 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.600 4.989 -5.068 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.132 3.340 -3.856 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.535 4.394 -6.452 1.00 0.44 C ATOM 0 H ILE B 22 -2.316 7.275 -4.392 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.248 5.457 -2.427 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.465 5.083 -4.874 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.432 4.537 -4.527 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.814 6.055 -5.150 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.104 2.719 -4.751 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.197 3.229 -3.308 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -2.963 3.027 -3.223 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.480 4.567 -6.967 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.726 4.863 -7.012 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.352 3.322 -6.379 1.00 0.44 H new ATOM 1249 N ALA B 23 0.006 5.993 -2.628 1.00 0.20 N ATOM 1250 CA ALA B 23 1.267 5.860 -1.912 1.00 0.19 C ATOM 1251 C ALA B 23 1.168 6.475 -0.523 1.00 0.20 C ATOM 1252 O ALA B 23 1.824 6.019 0.414 1.00 0.20 O ATOM 1253 CB ALA B 23 2.393 6.505 -2.700 1.00 0.20 C ATOM 0 H ALA B 23 0.071 6.517 -3.500 1.00 0.20 H new ATOM 0 HA ALA B 23 1.485 4.798 -1.799 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.329 6.397 -2.152 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.483 6.018 -3.671 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.177 7.564 -2.844 1.00 0.20 H new ATOM 1259 N ALA B 24 0.338 7.506 -0.401 1.00 0.22 N ATOM 1260 CA ALA B 24 0.078 8.137 0.881 1.00 0.25 C ATOM 1261 C ALA B 24 -0.451 7.116 1.884 1.00 0.23 C ATOM 1262 O ALA B 24 0.063 7.004 2.992 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.911 9.280 0.713 1.00 0.31 C ATOM 0 H ALA B 24 -0.168 7.922 -1.183 1.00 0.22 H new ATOM 0 HA ALA B 24 1.015 8.540 1.266 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -1.098 9.745 1.681 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.498 10.021 0.028 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.847 8.895 0.309 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.460 6.354 1.478 1.00 0.23 N ATOM 1270 CA LEU B 25 -2.012 5.307 2.335 1.00 0.23 C ATOM 1271 C LEU B 25 -0.992 4.206 2.582 1.00 0.22 C ATOM 1272 O LEU B 25 -0.927 3.639 3.674 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.265 4.695 1.718 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.555 5.483 1.918 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.723 4.714 1.331 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.794 5.760 3.394 1.00 0.43 C ATOM 0 H LEU B 25 -1.911 6.439 0.567 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.272 5.775 3.284 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -3.098 4.573 0.648 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.402 3.697 2.135 1.00 0.26 H new ATOM 0 HG LEU B 25 -4.463 6.440 1.404 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.642 5.281 1.477 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.557 4.559 0.265 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.810 3.748 1.829 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.720 6.323 3.513 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -4.872 4.816 3.933 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.962 6.340 3.795 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.205 3.905 1.562 1.00 0.20 N ATOM 1289 CA ILE B 26 0.801 2.859 1.653 1.00 0.21 C ATOM 1290 C ILE B 26 1.833 3.186 2.730 1.00 0.20 C ATOM 1291 O ILE B 26 2.099 2.367 3.614 1.00 0.22 O ATOM 1292 CB ILE B 26 1.501 2.638 0.295 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.478 2.184 -0.755 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.621 1.620 0.435 1.00 0.24 C ATOM 1295 CD1 ILE B 26 1.061 1.975 -2.136 1.00 0.27 C ATOM 0 H ILE B 26 -0.244 4.373 0.657 1.00 0.20 H new ATOM 0 HA ILE B 26 0.290 1.937 1.930 1.00 0.21 H new ATOM 0 HB ILE B 26 1.940 3.580 -0.034 1.00 0.22 H new ATOM 0 HG12 ILE B 26 0.020 1.253 -0.421 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.317 2.927 -0.817 1.00 0.26 H new ATOM 0 HG21 ILE B 26 3.104 1.476 -0.531 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.353 1.982 1.157 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.210 0.672 0.780 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.274 1.655 -2.819 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.494 2.909 -2.493 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.836 1.210 -2.092 1.00 0.27 H new ATOM 1302 N VAL B 27 2.397 4.390 2.675 1.00 0.18 N ATOM 1303 CA VAL B 27 3.377 4.806 3.671 1.00 0.20 C ATOM 1304 C VAL B 27 2.707 5.036 5.022 1.00 0.22 C ATOM 1305 O VAL B 27 3.316 4.822 6.068 1.00 0.23 O ATOM 1306 CB VAL B 27 4.159 6.072 3.246 1.00 0.21 C ATOM 1307 CG1 VAL B 27 4.914 5.826 1.949 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.239 7.276 3.105 1.00 0.21 C ATOM 0 H VAL B 27 2.194 5.087 1.959 1.00 0.18 H new ATOM 0 HA VAL B 27 4.098 3.993 3.757 1.00 0.20 H new ATOM 0 HB VAL B 27 4.879 6.294 4.034 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.457 6.728 1.667 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.619 5.006 2.088 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.208 5.567 1.160 1.00 0.21 H new ATOM 0 HG21 VAL B 27 3.822 8.147 2.806 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.482 7.069 2.349 1.00 0.21 H new ATOM 0 HG23 VAL B 27 2.753 7.476 4.060 1.00 0.21 H new ATOM 1312 N ASN B 28 1.443 5.457 4.989 1.00 0.25 N ATOM 1313 CA ASN B 28 0.653 5.644 6.203 1.00 0.32 C ATOM 1314 C ASN B 28 0.511 4.328 6.960 1.00 0.27 C ATOM 1315 O ASN B 28 0.688 4.276 8.178 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.733 6.199 5.855 1.00 0.44 C ATOM 1317 CG ASN B 28 -1.688 6.193 7.034 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -2.414 5.222 7.256 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -1.697 7.273 7.798 1.00 0.86 N ATOM 0 H ASN B 28 0.942 5.676 4.128 1.00 0.25 H new ATOM 0 HA ASN B 28 1.172 6.359 6.842 1.00 0.32 H new ATOM 0 HB2 ASN B 28 -0.627 7.219 5.485 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -1.161 5.609 5.045 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.320 7.322 8.604 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -1.081 8.056 7.581 1.00 0.86 H new ATOM 1326 N TYR B 29 0.202 3.266 6.226 1.00 0.25 N ATOM 1327 CA TYR B 29 0.056 1.945 6.815 1.00 0.24 C ATOM 1328 C TYR B 29 1.354 1.507 7.482 1.00 0.18 C ATOM 1329 O TYR B 29 1.358 1.116 8.649 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.364 0.926 5.752 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.466 -0.488 6.280 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.313 -0.794 7.337 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.288 -1.513 5.724 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.404 -2.082 7.826 1.00 1.22 C ATOM 1335 CE2 TYR B 29 0.200 -2.804 6.207 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.645 -3.081 7.260 1.00 0.42 C ATOM 1337 OH TYR B 29 -0.736 -4.363 7.747 1.00 0.49 O ATOM 0 H TYR B 29 0.048 3.297 5.218 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.723 1.996 7.575 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.328 1.221 5.338 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.355 0.949 4.933 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.910 -0.012 7.783 1.00 1.20 H new ATOM 0 HD2 TYR B 29 0.954 -1.297 4.901 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -2.067 -2.305 8.649 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.790 -3.592 5.762 1.00 1.25 H new ATOM 0 HH TYR B 29 -1.378 -4.387 8.487 1.00 0.49 H new ATOM 1347 N PHE B 30 2.454 1.594 6.742 1.00 0.16 N ATOM 1348 CA PHE B 30 3.757 1.214 7.273 1.00 0.16 C ATOM 1349 C PHE B 30 4.129 2.089 8.466 1.00 0.18 C ATOM 1350 O PHE B 30 4.685 1.603 9.453 1.00 0.21 O ATOM 1351 CB PHE B 30 4.838 1.327 6.197 1.00 0.19 C ATOM 1352 CG PHE B 30 4.669 0.388 5.035 1.00 0.19 C ATOM 1353 CD1 PHE B 30 4.174 -0.893 5.219 1.00 1.20 C ATOM 1354 CD2 PHE B 30 5.020 0.789 3.756 1.00 1.17 C ATOM 1355 CE1 PHE B 30 4.032 -1.754 4.149 1.00 1.22 C ATOM 1356 CE2 PHE B 30 4.883 -0.071 2.684 1.00 1.16 C ATOM 1357 CZ PHE B 30 4.388 -1.344 2.882 1.00 0.25 C ATOM 0 H PHE B 30 2.469 1.923 5.777 1.00 0.16 H new ATOM 0 HA PHE B 30 3.692 0.176 7.600 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.851 2.350 5.821 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.809 1.144 6.656 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.896 -1.221 6.210 1.00 1.20 H new ATOM 0 HD2 PHE B 30 5.405 1.785 3.596 1.00 1.17 H new ATOM 0 HE1 PHE B 30 3.642 -2.749 4.305 1.00 1.22 H new ATOM 0 HE2 PHE B 30 5.163 0.252 1.692 1.00 1.16 H new ATOM 0 HZ PHE B 30 4.280 -2.018 2.045 1.00 0.25 H new ATOM 1367 N SER B 31 3.812 3.377 8.369 1.00 0.21 N ATOM 1368 CA SER B 31 4.075 4.318 9.446 1.00 0.26 C ATOM 1369 C SER B 31 3.327 3.903 10.709 1.00 0.25 C ATOM 1370 O SER B 31 3.878 3.947 11.806 1.00 0.27 O ATOM 1371 CB SER B 31 3.667 5.736 9.029 1.00 0.35 C ATOM 1372 OG SER B 31 3.994 6.687 10.031 1.00 1.15 O ATOM 0 H SER B 31 3.370 3.792 7.549 1.00 0.21 H new ATOM 0 HA SER B 31 5.144 4.312 9.657 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.167 6.001 8.097 1.00 0.35 H new ATOM 0 HB3 SER B 31 2.595 5.765 8.834 1.00 0.35 H new ATOM 0 HG SER B 31 3.723 7.581 9.735 1.00 1.15 H new ATOM 1378 N SER B 32 2.081 3.478 10.548 1.00 0.27 N ATOM 1379 CA SER B 32 1.274 3.046 11.677 1.00 0.30 C ATOM 1380 C SER B 32 1.871 1.790 12.309 1.00 0.28 C ATOM 1381 O SER B 32 1.870 1.636 13.532 1.00 0.36 O ATOM 1382 CB SER B 32 -0.170 2.792 11.230 1.00 0.40 C ATOM 1383 OG SER B 32 -1.030 2.600 12.340 1.00 0.99 O ATOM 0 H SER B 32 1.609 3.424 9.646 1.00 0.27 H new ATOM 0 HA SER B 32 1.269 3.837 12.427 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.522 3.636 10.637 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.204 1.913 10.586 1.00 0.40 H new ATOM 0 HG SER B 32 -1.944 2.442 12.023 1.00 0.99 H new ATOM 1389 N ILE B 33 2.406 0.905 11.470 1.00 0.24 N ATOM 1390 CA ILE B 33 3.016 -0.330 11.948 1.00 0.27 C ATOM 1391 C ILE B 33 4.232 -0.040 12.824 1.00 0.26 C ATOM 1392 O ILE B 33 4.386 -0.624 13.899 1.00 0.32 O ATOM 1393 CB ILE B 33 3.451 -1.247 10.783 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.252 -1.635 9.918 1.00 0.30 C ATOM 1395 CG2 ILE B 33 4.137 -2.497 11.316 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.622 -2.520 8.747 1.00 0.34 C ATOM 0 H ILE B 33 2.429 1.022 10.457 1.00 0.24 H new ATOM 0 HA ILE B 33 2.254 -0.842 12.535 1.00 0.27 H new ATOM 0 HB ILE B 33 4.158 -0.694 10.165 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.518 -2.151 10.537 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.774 -0.730 9.544 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.437 -3.131 10.482 1.00 0.44 H new ATOM 0 HG22 ILE B 33 5.019 -2.212 11.890 1.00 0.44 H new ATOM 0 HG23 ILE B 33 3.448 -3.044 11.959 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.726 -2.759 8.174 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.334 -1.998 8.107 1.00 0.34 H new ATOM 0 HD13 ILE B 33 3.073 -3.441 9.115 1.00 0.34 H new ATOM 1403 N VAL B 34 5.091 0.866 12.370 1.00 0.25 N ATOM 1404 CA VAL B 34 6.305 1.195 13.111 1.00 0.31 C ATOM 1405 C VAL B 34 6.005 2.142 14.271 1.00 0.37 C ATOM 1406 O VAL B 34 6.736 2.165 15.262 1.00 0.47 O ATOM 1407 CB VAL B 34 7.398 1.806 12.202 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.826 0.804 11.140 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.923 3.096 11.553 1.00 0.33 C ATOM 0 H VAL B 34 4.972 1.383 11.499 1.00 0.25 H new ATOM 0 HA VAL B 34 6.688 0.256 13.510 1.00 0.31 H new ATOM 0 HB VAL B 34 8.258 2.045 12.828 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.595 1.249 10.509 1.00 0.35 H new ATOM 0 HG12 VAL B 34 8.224 -0.089 11.622 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.966 0.533 10.528 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.715 3.499 10.921 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.041 2.894 10.945 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.672 3.822 12.327 1.00 0.33 H new ATOM 1413 N GLU B 35 4.923 2.905 14.153 1.00 0.35 N ATOM 1414 CA GLU B 35 4.497 3.802 15.219 1.00 0.46 C ATOM 1415 C GLU B 35 4.065 2.997 16.438 1.00 0.51 C ATOM 1416 O GLU B 35 4.528 3.239 17.553 1.00 0.62 O ATOM 1417 CB GLU B 35 3.344 4.687 14.744 1.00 0.51 C ATOM 1418 CG GLU B 35 2.939 5.757 15.743 1.00 0.70 C ATOM 1419 CD GLU B 35 4.030 6.782 15.965 1.00 1.49 C ATOM 1420 OE1 GLU B 35 4.128 7.733 15.158 1.00 2.19 O ATOM 1421 OE2 GLU B 35 4.796 6.647 16.939 1.00 2.22 O ATOM 0 H GLU B 35 4.325 2.919 13.327 1.00 0.35 H new ATOM 0 HA GLU B 35 5.338 4.440 15.492 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.629 5.167 13.808 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.480 4.058 14.530 1.00 0.51 H new ATOM 0 HG2 GLU B 35 2.039 6.259 15.388 1.00 0.70 H new ATOM 0 HG3 GLU B 35 2.688 5.286 16.693 1.00 0.70 H new ATOM 1428 N LYS B 36 3.182 2.028 16.217 1.00 0.47 N ATOM 1429 CA LYS B 36 2.720 1.161 17.294 1.00 0.55 C ATOM 1430 C LYS B 36 3.775 0.101 17.608 1.00 0.51 C ATOM 1431 O LYS B 36 3.701 -0.601 18.614 1.00 0.61 O ATOM 1432 CB LYS B 36 1.387 0.496 16.927 1.00 0.67 C ATOM 1433 CG LYS B 36 1.485 -0.479 15.762 1.00 0.71 C ATOM 1434 CD LYS B 36 0.139 -1.106 15.415 1.00 0.98 C ATOM 1435 CE LYS B 36 -0.682 -0.245 14.457 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.149 1.029 15.068 1.00 2.08 N ATOM 0 H LYS B 36 2.774 1.824 15.305 1.00 0.47 H new ATOM 0 HA LYS B 36 2.561 1.773 18.182 1.00 0.55 H new ATOM 0 HB2 LYS B 36 1.004 -0.033 17.800 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.661 1.271 16.680 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.877 0.041 14.888 1.00 0.71 H new ATOM 0 HG3 LYS B 36 2.197 -1.267 16.010 1.00 0.71 H new ATOM 0 HD2 LYS B 36 0.304 -2.086 14.966 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -0.430 -1.267 16.331 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -0.081 -0.019 13.576 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -1.546 -0.815 14.116 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -2.041 1.322 14.621 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -1.301 0.890 16.087 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -0.431 1.767 14.923 1.00 2.08 H new ATOM 1450 N LYS B 37 4.757 0.021 16.707 1.00 0.48 N ATOM 1451 CA LYS B 37 5.895 -0.887 16.819 1.00 0.55 C ATOM 1452 C LYS B 37 5.435 -2.339 16.919 1.00 0.59 C ATOM 1453 O LYS B 37 5.819 -3.068 17.833 1.00 0.76 O ATOM 1454 CB LYS B 37 6.775 -0.517 18.017 1.00 0.72 C ATOM 1455 CG LYS B 37 8.187 -1.070 17.911 1.00 1.19 C ATOM 1456 CD LYS B 37 8.976 -0.878 19.195 1.00 1.42 C ATOM 1457 CE LYS B 37 8.412 -1.716 20.331 1.00 1.99 C ATOM 1458 NZ LYS B 37 8.331 -3.158 19.972 1.00 2.60 N ATOM 0 H LYS B 37 4.782 0.597 15.865 1.00 0.48 H new ATOM 0 HA LYS B 37 6.491 -0.784 15.912 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.822 0.568 18.105 1.00 0.72 H new ATOM 0 HB3 LYS B 37 6.312 -0.891 18.930 1.00 0.72 H new ATOM 0 HG2 LYS B 37 8.142 -2.132 17.669 1.00 1.19 H new ATOM 0 HG3 LYS B 37 8.708 -0.578 17.090 1.00 1.19 H new ATOM 0 HD2 LYS B 37 10.018 -1.148 19.026 1.00 1.42 H new ATOM 0 HD3 LYS B 37 8.962 0.175 19.477 1.00 1.42 H new ATOM 0 HE2 LYS B 37 9.038 -1.597 21.215 1.00 1.99 H new ATOM 0 HE3 LYS B 37 7.419 -1.351 20.593 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 8.189 -3.723 20.834 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 7.533 -3.310 19.323 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 9.215 -3.451 19.509 1.00 2.60 H new ATOM 1472 N GLU B 38 4.624 -2.758 15.958 1.00 0.54 N ATOM 1473 CA GLU B 38 4.084 -4.111 15.946 1.00 0.69 C ATOM 1474 C GLU B 38 5.039 -5.033 15.206 1.00 0.69 C ATOM 1475 O GLU B 38 5.104 -6.237 15.458 1.00 1.03 O ATOM 1476 CB GLU B 38 2.714 -4.123 15.260 1.00 0.79 C ATOM 1477 CG GLU B 38 1.999 -5.464 15.327 1.00 1.35 C ATOM 1478 CD GLU B 38 1.519 -5.799 16.723 1.00 1.41 C ATOM 1479 OE1 GLU B 38 0.453 -5.285 17.126 1.00 1.86 O ATOM 1480 OE2 GLU B 38 2.199 -6.573 17.425 1.00 2.11 O ATOM 0 H GLU B 38 4.324 -2.179 15.174 1.00 0.54 H new ATOM 0 HA GLU B 38 3.968 -4.459 16.972 1.00 0.69 H new ATOM 0 HB2 GLU B 38 2.082 -3.363 15.720 1.00 0.79 H new ATOM 0 HB3 GLU B 38 2.840 -3.842 14.214 1.00 0.79 H new ATOM 0 HG2 GLU B 38 1.147 -5.452 14.647 1.00 1.35 H new ATOM 0 HG3 GLU B 38 2.672 -6.248 14.980 1.00 1.35 H new ATOM 1487 N ILE B 39 5.788 -4.442 14.293 1.00 0.42 N ATOM 1488 CA ILE B 39 6.692 -5.193 13.438 1.00 0.43 C ATOM 1489 C ILE B 39 8.065 -5.331 14.102 1.00 0.48 C ATOM 1490 O ILE B 39 8.420 -4.539 14.979 1.00 0.52 O ATOM 1491 CB ILE B 39 6.813 -4.508 12.057 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.414 -5.460 11.023 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.639 -3.232 12.155 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.310 -4.949 9.601 1.00 0.47 C ATOM 0 H ILE B 39 5.788 -3.436 14.123 1.00 0.42 H new ATOM 0 HA ILE B 39 6.286 -6.194 13.290 1.00 0.43 H new ATOM 0 HB ILE B 39 5.809 -4.241 11.728 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.463 -5.630 11.264 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.910 -6.424 11.092 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.710 -2.768 11.171 1.00 0.36 H new ATOM 0 HG22 ILE B 39 7.160 -2.541 12.848 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.639 -3.473 12.516 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.756 -5.674 8.920 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.261 -4.805 9.342 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.838 -3.999 9.516 1.00 0.47 H new ATOM 1501 N SER B 40 8.816 -6.349 13.699 1.00 0.55 N ATOM 1502 CA SER B 40 10.125 -6.620 14.280 1.00 0.62 C ATOM 1503 C SER B 40 11.136 -5.541 13.882 1.00 0.53 C ATOM 1504 O SER B 40 10.876 -4.748 12.973 1.00 0.48 O ATOM 1505 CB SER B 40 10.612 -8.003 13.839 1.00 0.77 C ATOM 1506 OG SER B 40 11.803 -8.374 14.510 1.00 1.82 O ATOM 0 H SER B 40 8.539 -7.004 12.968 1.00 0.55 H new ATOM 0 HA SER B 40 10.033 -6.605 15.366 1.00 0.62 H new ATOM 0 HB2 SER B 40 9.836 -8.743 14.037 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.785 -8.003 12.763 1.00 0.77 H new ATOM 0 HG SER B 40 12.086 -9.262 14.207 1.00 1.82 H new ATOM 1512 N GLU B 41 12.285 -5.522 14.551 1.00 0.59 N ATOM 1513 CA GLU B 41 13.276 -4.465 14.359 1.00 0.60 C ATOM 1514 C GLU B 41 13.726 -4.375 12.904 1.00 0.49 C ATOM 1515 O GLU B 41 13.651 -3.305 12.289 1.00 0.46 O ATOM 1516 CB GLU B 41 14.486 -4.698 15.265 1.00 0.78 C ATOM 1517 CG GLU B 41 14.138 -4.789 16.744 1.00 1.08 C ATOM 1518 CD GLU B 41 13.352 -3.594 17.238 1.00 1.44 C ATOM 1519 OE1 GLU B 41 13.969 -2.555 17.550 1.00 1.99 O ATOM 1520 OE2 GLU B 41 12.109 -3.692 17.328 1.00 2.19 O ATOM 0 H GLU B 41 12.555 -6.230 15.234 1.00 0.59 H new ATOM 0 HA GLU B 41 12.804 -3.520 14.625 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.984 -5.619 14.961 1.00 0.78 H new ATOM 0 HB3 GLU B 41 15.199 -3.887 15.118 1.00 0.78 H new ATOM 0 HG2 GLU B 41 13.560 -5.696 16.921 1.00 1.08 H new ATOM 0 HG3 GLU B 41 15.057 -4.878 17.324 1.00 1.08 H new ATOM 1527 N ASP B 42 14.175 -5.499 12.351 1.00 0.52 N ATOM 1528 CA ASP B 42 14.640 -5.540 10.967 1.00 0.51 C ATOM 1529 C ASP B 42 13.516 -5.169 10.010 1.00 0.43 C ATOM 1530 O ASP B 42 13.736 -4.464 9.027 1.00 0.47 O ATOM 1531 CB ASP B 42 15.186 -6.924 10.617 1.00 0.61 C ATOM 1532 CG ASP B 42 15.652 -7.017 9.177 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.741 -6.491 8.862 1.00 2.29 O ATOM 1534 OD2 ASP B 42 14.937 -7.623 8.353 1.00 2.20 O ATOM 0 H ASP B 42 14.227 -6.393 12.840 1.00 0.52 H new ATOM 0 HA ASP B 42 15.444 -4.812 10.864 1.00 0.51 H new ATOM 0 HB2 ASP B 42 16.017 -7.162 11.281 1.00 0.61 H new ATOM 0 HB3 ASP B 42 14.413 -7.672 10.794 1.00 0.61 H new ATOM 1539 N GLY B 43 12.312 -5.634 10.317 1.00 0.39 N ATOM 1540 CA GLY B 43 11.158 -5.303 9.506 1.00 0.37 C ATOM 1541 C GLY B 43 10.894 -3.811 9.476 1.00 0.34 C ATOM 1542 O GLY B 43 10.626 -3.241 8.418 1.00 0.34 O ATOM 0 H GLY B 43 12.114 -6.236 11.116 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.314 -5.664 8.489 1.00 0.37 H new ATOM 0 HA3 GLY B 43 10.281 -5.819 9.896 1.00 0.37 H new ATOM 1546 N ALA B 44 10.987 -3.176 10.639 1.00 0.33 N ATOM 1547 CA ALA B 44 10.798 -1.737 10.747 1.00 0.33 C ATOM 1548 C ALA B 44 11.865 -0.995 9.954 1.00 0.32 C ATOM 1549 O ALA B 44 11.564 -0.067 9.206 1.00 0.31 O ATOM 1550 CB ALA B 44 10.824 -1.308 12.206 1.00 0.38 C ATOM 0 H ALA B 44 11.193 -3.640 11.524 1.00 0.33 H new ATOM 0 HA ALA B 44 9.824 -1.485 10.328 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.681 -0.229 12.271 1.00 0.38 H new ATOM 0 HB2 ALA B 44 10.024 -1.813 12.748 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.785 -1.574 12.646 1.00 0.38 H new ATOM 1556 N ASP B 45 13.111 -1.428 10.112 1.00 0.36 N ATOM 1557 CA ASP B 45 14.233 -0.822 9.398 1.00 0.38 C ATOM 1558 C ASP B 45 14.070 -0.985 7.892 1.00 0.36 C ATOM 1559 O ASP B 45 14.410 -0.090 7.117 1.00 0.37 O ATOM 1560 CB ASP B 45 15.556 -1.445 9.850 1.00 0.48 C ATOM 1561 CG ASP B 45 16.739 -0.906 9.074 1.00 1.11 C ATOM 1562 OD1 ASP B 45 17.121 0.259 9.294 1.00 1.81 O ATOM 1563 OD2 ASP B 45 17.294 -1.646 8.234 1.00 1.84 O ATOM 0 H ASP B 45 13.372 -2.197 10.729 1.00 0.36 H new ATOM 0 HA ASP B 45 14.245 0.242 9.633 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.702 -1.251 10.913 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.506 -2.527 9.727 1.00 0.48 H new ATOM 1568 N SER B 46 13.539 -2.129 7.486 1.00 0.37 N ATOM 1569 CA SER B 46 13.268 -2.390 6.080 1.00 0.40 C ATOM 1570 C SER B 46 12.210 -1.421 5.559 1.00 0.36 C ATOM 1571 O SER B 46 12.331 -0.885 4.459 1.00 0.38 O ATOM 1572 CB SER B 46 12.804 -3.836 5.890 1.00 0.50 C ATOM 1573 OG SER B 46 13.765 -4.755 6.386 1.00 0.98 O ATOM 0 H SER B 46 13.287 -2.893 8.112 1.00 0.37 H new ATOM 0 HA SER B 46 14.187 -2.242 5.512 1.00 0.40 H new ATOM 0 HB2 SER B 46 11.855 -3.986 6.404 1.00 0.50 H new ATOM 0 HB3 SER B 46 12.627 -4.027 4.832 1.00 0.50 H new ATOM 0 HG SER B 46 13.780 -4.716 7.365 1.00 0.98 H new ATOM 1579 N LEU B 47 11.186 -1.179 6.370 1.00 0.32 N ATOM 1580 CA LEU B 47 10.129 -0.244 6.008 1.00 0.30 C ATOM 1581 C LEU B 47 10.664 1.180 5.916 1.00 0.27 C ATOM 1582 O LEU B 47 10.158 1.987 5.142 1.00 0.28 O ATOM 1583 CB LEU B 47 8.981 -0.304 7.018 1.00 0.30 C ATOM 1584 CG LEU B 47 8.167 -1.598 7.001 1.00 0.35 C ATOM 1585 CD1 LEU B 47 7.068 -1.552 8.051 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.575 -1.831 5.619 1.00 0.41 C ATOM 0 H LEU B 47 11.066 -1.618 7.283 1.00 0.32 H new ATOM 0 HA LEU B 47 9.752 -0.537 5.028 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.391 -0.164 8.018 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.308 0.532 6.829 1.00 0.30 H new ATOM 0 HG LEU B 47 8.832 -2.428 7.238 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.499 -2.482 8.024 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.513 -1.428 9.038 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.403 -0.714 7.845 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.998 -2.756 5.622 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.923 -0.997 5.357 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.379 -1.907 4.887 1.00 0.41 H new ATOM 1598 N ASN B 48 11.690 1.478 6.703 1.00 0.26 N ATOM 1599 CA ASN B 48 12.302 2.803 6.697 1.00 0.26 C ATOM 1600 C ASN B 48 12.899 3.116 5.328 1.00 0.27 C ATOM 1601 O ASN B 48 12.483 4.069 4.669 1.00 0.32 O ATOM 1602 CB ASN B 48 13.385 2.910 7.776 1.00 0.28 C ATOM 1603 CG ASN B 48 12.832 2.869 9.190 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.475 2.347 10.103 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.651 3.436 9.392 1.00 0.40 N ATOM 0 H ASN B 48 12.117 0.820 7.355 1.00 0.26 H new ATOM 0 HA ASN B 48 11.521 3.531 6.914 1.00 0.26 H new ATOM 0 HB2 ASN B 48 14.097 2.095 7.648 1.00 0.28 H new ATOM 0 HB3 ASN B 48 13.937 3.840 7.636 1.00 0.28 H new ATOM 0 HD21 ASN B 48 11.245 3.450 10.328 1.00 0.40 H new ATOM 0 HD22 ASN B 48 11.148 3.858 8.612 1.00 0.40 H new ATOM 1612 N VAL B 49 13.855 2.296 4.893 1.00 0.27 N ATOM 1613 CA VAL B 49 14.503 2.502 3.598 1.00 0.29 C ATOM 1614 C VAL B 49 13.488 2.382 2.461 1.00 0.29 C ATOM 1615 O VAL B 49 13.543 3.128 1.479 1.00 0.32 O ATOM 1616 CB VAL B 49 15.679 1.515 3.367 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.215 0.068 3.428 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.368 1.796 2.038 1.00 0.36 C ATOM 0 H VAL B 49 14.196 1.488 5.414 1.00 0.27 H new ATOM 0 HA VAL B 49 14.915 3.511 3.606 1.00 0.29 H new ATOM 0 HB VAL B 49 16.397 1.670 4.172 1.00 0.32 H new ATOM 0 HG11 VAL B 49 16.065 -0.594 3.262 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.783 -0.135 4.408 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.464 -0.106 2.658 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.189 1.092 1.898 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.650 1.684 1.225 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.759 2.814 2.039 1.00 0.36 H new ATOM 1622 N ALA B 50 12.543 1.462 2.616 1.00 0.30 N ATOM 1623 CA ALA B 50 11.497 1.269 1.626 1.00 0.34 C ATOM 1624 C ALA B 50 10.636 2.516 1.500 1.00 0.33 C ATOM 1625 O ALA B 50 10.185 2.860 0.413 1.00 0.37 O ATOM 1626 CB ALA B 50 10.633 0.072 1.993 1.00 0.37 C ATOM 0 H ALA B 50 12.482 0.838 3.421 1.00 0.30 H new ATOM 0 HA ALA B 50 11.972 1.079 0.664 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.854 -0.059 1.241 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.252 -0.824 2.034 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.173 0.240 2.967 1.00 0.37 H new ATOM 1632 N MET B 51 10.432 3.200 2.616 1.00 0.34 N ATOM 1633 CA MET B 51 9.563 4.364 2.650 1.00 0.39 C ATOM 1634 C MET B 51 10.189 5.534 1.914 1.00 0.31 C ATOM 1635 O MET B 51 9.492 6.281 1.227 1.00 0.30 O ATOM 1636 CB MET B 51 9.250 4.752 4.087 1.00 0.52 C ATOM 1637 CG MET B 51 8.082 5.709 4.214 1.00 0.62 C ATOM 1638 SD MET B 51 7.296 5.601 5.827 1.00 0.65 S ATOM 1639 CE MET B 51 7.015 3.832 5.905 1.00 0.41 C ATOM 0 H MET B 51 10.859 2.967 3.513 1.00 0.34 H new ATOM 0 HA MET B 51 8.632 4.104 2.146 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.034 3.850 4.660 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.134 5.209 4.532 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.429 6.729 4.047 1.00 0.62 H new ATOM 0 HG3 MET B 51 7.348 5.491 3.438 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.228 3.620 6.629 1.00 0.41 H new ATOM 0 HE2 MET B 51 6.712 3.468 4.923 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.934 3.331 6.210 1.00 0.41 H new ATOM 1649 N ASP B 52 11.499 5.695 2.060 1.00 0.31 N ATOM 1650 CA ASP B 52 12.219 6.708 1.300 1.00 0.32 C ATOM 1651 C ASP B 52 12.090 6.409 -0.182 1.00 0.28 C ATOM 1652 O ASP B 52 11.885 7.308 -0.996 1.00 0.30 O ATOM 1653 CB ASP B 52 13.698 6.759 1.697 1.00 0.42 C ATOM 1654 CG ASP B 52 13.917 7.344 3.077 1.00 1.16 C ATOM 1655 OD1 ASP B 52 13.917 8.586 3.210 1.00 1.99 O ATOM 1656 OD2 ASP B 52 14.108 6.567 4.033 1.00 1.84 O ATOM 0 H ASP B 52 12.079 5.143 2.691 1.00 0.31 H new ATOM 0 HA ASP B 52 11.782 7.681 1.522 1.00 0.32 H new ATOM 0 HB2 ASP B 52 14.113 5.752 1.665 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.245 7.353 0.965 1.00 0.42 H new ATOM 1661 N CYS B 53 12.184 5.126 -0.512 1.00 0.27 N ATOM 1662 CA CYS B 53 12.003 4.665 -1.879 1.00 0.27 C ATOM 1663 C CYS B 53 10.606 5.018 -2.391 1.00 0.28 C ATOM 1664 O CYS B 53 10.470 5.614 -3.455 1.00 0.36 O ATOM 1665 CB CYS B 53 12.229 3.156 -1.954 1.00 0.36 C ATOM 1666 SG CYS B 53 13.888 2.633 -1.459 1.00 1.05 S ATOM 0 H CYS B 53 12.386 4.383 0.157 1.00 0.27 H new ATOM 0 HA CYS B 53 12.734 5.167 -2.513 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.498 2.658 -1.318 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.044 2.822 -2.975 1.00 0.36 H new ATOM 0 HG CYS B 53 14.059 2.873 -0.193 1.00 1.05 H new ATOM 1672 N ILE B 54 9.575 4.657 -1.623 1.00 0.26 N ATOM 1673 CA ILE B 54 8.190 4.963 -1.991 1.00 0.29 C ATOM 1674 C ILE B 54 8.016 6.463 -2.218 1.00 0.30 C ATOM 1675 O ILE B 54 7.551 6.899 -3.273 1.00 0.33 O ATOM 1676 CB ILE B 54 7.183 4.523 -0.896 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.377 3.050 -0.521 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.753 4.756 -1.372 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.586 2.622 0.703 1.00 0.33 C ATOM 0 H ILE B 54 9.673 4.152 -0.742 1.00 0.26 H new ATOM 0 HA ILE B 54 7.984 4.408 -2.906 1.00 0.29 H new ATOM 0 HB ILE B 54 7.369 5.126 -0.007 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.085 2.428 -1.367 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.436 2.867 -0.340 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.055 4.443 -0.595 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.608 5.815 -1.585 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.572 4.176 -2.277 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.774 1.568 0.907 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.894 3.218 1.562 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.522 2.772 0.520 1.00 0.33 H new ATOM 1686 N SER B 55 8.420 7.240 -1.224 1.00 0.30 N ATOM 1687 CA SER B 55 8.236 8.683 -1.237 1.00 0.36 C ATOM 1688 C SER B 55 8.934 9.329 -2.433 1.00 0.38 C ATOM 1689 O SER B 55 8.315 10.076 -3.196 1.00 0.41 O ATOM 1690 CB SER B 55 8.765 9.279 0.068 1.00 0.40 C ATOM 1691 OG SER B 55 8.188 8.628 1.190 1.00 0.80 O ATOM 0 H SER B 55 8.884 6.888 -0.387 1.00 0.30 H new ATOM 0 HA SER B 55 7.170 8.889 -1.328 1.00 0.36 H new ATOM 0 HB2 SER B 55 9.850 9.182 0.104 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.539 10.345 0.104 1.00 0.40 H new ATOM 0 HG SER B 55 8.769 7.893 1.476 1.00 0.80 H new ATOM 1697 N GLU B 56 10.212 9.018 -2.609 1.00 0.39 N ATOM 1698 CA GLU B 56 11.016 9.646 -3.647 1.00 0.48 C ATOM 1699 C GLU B 56 10.576 9.189 -5.039 1.00 0.42 C ATOM 1700 O GLU B 56 10.579 9.972 -5.989 1.00 0.45 O ATOM 1701 CB GLU B 56 12.495 9.323 -3.423 1.00 0.59 C ATOM 1702 CG GLU B 56 13.444 10.207 -4.214 1.00 0.82 C ATOM 1703 CD GLU B 56 13.271 11.675 -3.890 1.00 1.81 C ATOM 1704 OE1 GLU B 56 13.396 12.048 -2.705 1.00 2.66 O ATOM 1705 OE2 GLU B 56 13.018 12.468 -4.821 1.00 2.38 O ATOM 0 H GLU B 56 10.714 8.333 -2.044 1.00 0.39 H new ATOM 0 HA GLU B 56 10.871 10.725 -3.589 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.722 9.422 -2.361 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.674 8.282 -3.692 1.00 0.59 H new ATOM 0 HG2 GLU B 56 14.472 9.910 -4.005 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.278 10.051 -5.280 1.00 0.82 H new ATOM 1712 N ALA B 57 10.178 7.926 -5.149 1.00 0.38 N ATOM 1713 CA ALA B 57 9.751 7.366 -6.426 1.00 0.39 C ATOM 1714 C ALA B 57 8.478 8.036 -6.930 1.00 0.33 C ATOM 1715 O ALA B 57 8.351 8.335 -8.117 1.00 0.38 O ATOM 1716 CB ALA B 57 9.543 5.864 -6.307 1.00 0.41 C ATOM 0 H ALA B 57 10.142 7.270 -4.368 1.00 0.38 H new ATOM 0 HA ALA B 57 10.542 7.557 -7.152 1.00 0.39 H new ATOM 0 HB1 ALA B 57 9.225 5.463 -7.269 1.00 0.41 H new ATOM 0 HB2 ALA B 57 10.478 5.390 -6.008 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.777 5.661 -5.558 1.00 0.41 H new ATOM 1722 N PHE B 58 7.538 8.270 -6.023 1.00 0.28 N ATOM 1723 CA PHE B 58 6.274 8.902 -6.384 1.00 0.27 C ATOM 1724 C PHE B 58 6.417 10.420 -6.455 1.00 0.30 C ATOM 1725 O PHE B 58 5.731 11.085 -7.234 1.00 0.38 O ATOM 1726 CB PHE B 58 5.180 8.521 -5.390 1.00 0.27 C ATOM 1727 CG PHE B 58 4.653 7.125 -5.575 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.377 6.026 -5.144 1.00 1.24 C ATOM 1729 CD2 PHE B 58 3.428 6.916 -6.181 1.00 1.18 C ATOM 1730 CE1 PHE B 58 4.888 4.746 -5.317 1.00 1.21 C ATOM 1731 CE2 PHE B 58 2.933 5.638 -6.356 1.00 1.22 C ATOM 1732 CZ PHE B 58 3.664 4.553 -5.924 1.00 0.29 C ATOM 0 H PHE B 58 7.626 8.033 -5.035 1.00 0.28 H new ATOM 0 HA PHE B 58 5.991 8.540 -7.373 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.571 8.621 -4.377 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.355 9.227 -5.484 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.335 6.172 -4.667 1.00 1.24 H new ATOM 0 HD2 PHE B 58 2.851 7.763 -6.522 1.00 1.18 H new ATOM 0 HE1 PHE B 58 5.463 3.897 -4.978 1.00 1.21 H new ATOM 0 HE2 PHE B 58 1.974 5.490 -6.831 1.00 1.22 H new ATOM 0 HZ PHE B 58 3.280 3.553 -6.060 1.00 0.29 H new ATOM 1742 N GLY B 59 7.315 10.961 -5.644 1.00 0.33 N ATOM 1743 CA GLY B 59 7.582 12.384 -5.679 1.00 0.38 C ATOM 1744 C GLY B 59 6.888 13.141 -4.564 1.00 0.37 C ATOM 1745 O GLY B 59 6.402 14.251 -4.775 1.00 0.42 O ATOM 0 H GLY B 59 7.864 10.439 -4.961 1.00 0.33 H new ATOM 0 HA2 GLY B 59 8.657 12.549 -5.609 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.260 12.786 -6.640 1.00 0.38 H new ATOM 1749 N PHE B 60 6.831 12.543 -3.383 1.00 0.35 N ATOM 1750 CA PHE B 60 6.244 13.203 -2.225 1.00 0.39 C ATOM 1751 C PHE B 60 7.084 12.910 -0.989 1.00 0.39 C ATOM 1752 O PHE B 60 7.857 11.956 -0.975 1.00 0.42 O ATOM 1753 CB PHE B 60 4.794 12.747 -2.006 1.00 0.40 C ATOM 1754 CG PHE B 60 4.652 11.354 -1.453 1.00 0.30 C ATOM 1755 CD1 PHE B 60 4.738 10.250 -2.282 1.00 1.19 C ATOM 1756 CD2 PHE B 60 4.427 11.153 -0.098 1.00 1.21 C ATOM 1757 CE1 PHE B 60 4.604 8.972 -1.772 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.294 9.879 0.416 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.382 8.788 -0.422 1.00 0.33 C ATOM 0 H PHE B 60 7.183 11.603 -3.201 1.00 0.35 H new ATOM 0 HA PHE B 60 6.232 14.278 -2.406 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.306 13.445 -1.326 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.262 12.803 -2.956 1.00 0.40 H new ATOM 0 HD1 PHE B 60 4.912 10.388 -3.339 1.00 1.19 H new ATOM 0 HD2 PHE B 60 4.355 12.004 0.562 1.00 1.21 H new ATOM 0 HE1 PHE B 60 4.673 8.118 -2.429 1.00 1.23 H new ATOM 0 HE2 PHE B 60 4.121 9.737 1.473 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.277 7.790 -0.023 1.00 0.33 H new ATOM 1769 N GLU B 61 6.951 13.739 0.029 1.00 0.47 N ATOM 1770 CA GLU B 61 7.692 13.554 1.266 1.00 0.55 C ATOM 1771 C GLU B 61 6.796 12.967 2.350 1.00 0.50 C ATOM 1772 O GLU B 61 5.578 13.146 2.335 1.00 0.47 O ATOM 1773 CB GLU B 61 8.287 14.883 1.729 1.00 0.70 C ATOM 1774 CG GLU B 61 9.458 15.354 0.880 1.00 0.80 C ATOM 1775 CD GLU B 61 10.629 14.391 0.921 1.00 1.48 C ATOM 1776 OE1 GLU B 61 11.284 14.292 1.978 1.00 2.06 O ATOM 1777 OE2 GLU B 61 10.895 13.721 -0.097 1.00 2.33 O ATOM 0 H GLU B 61 6.334 14.551 0.025 1.00 0.47 H new ATOM 0 HA GLU B 61 8.505 12.852 1.078 1.00 0.55 H new ATOM 0 HB2 GLU B 61 7.508 15.645 1.714 1.00 0.70 H new ATOM 0 HB3 GLU B 61 8.616 14.784 2.764 1.00 0.70 H new ATOM 0 HG2 GLU B 61 9.129 15.477 -0.152 1.00 0.80 H new ATOM 0 HG3 GLU B 61 9.785 16.334 1.229 1.00 0.80 H new ATOM 1784 N ARG B 62 7.426 12.282 3.297 1.00 0.53 N ATOM 1785 CA ARG B 62 6.726 11.520 4.331 1.00 0.53 C ATOM 1786 C ARG B 62 5.911 12.410 5.264 1.00 0.52 C ATOM 1787 O ARG B 62 5.028 11.924 5.966 1.00 0.64 O ATOM 1788 CB ARG B 62 7.734 10.707 5.143 1.00 0.62 C ATOM 1789 CG ARG B 62 8.452 9.641 4.334 1.00 1.40 C ATOM 1790 CD ARG B 62 9.604 9.029 5.114 1.00 1.46 C ATOM 1791 NE ARG B 62 10.658 10.006 5.391 1.00 2.25 N ATOM 1792 CZ ARG B 62 11.867 9.688 5.845 1.00 2.60 C ATOM 1793 NH1 ARG B 62 12.174 8.423 6.094 1.00 2.13 N ATOM 1794 NH2 ARG B 62 12.771 10.637 6.050 1.00 3.67 N ATOM 0 H ARG B 62 8.442 12.238 3.372 1.00 0.53 H new ATOM 0 HA ARG B 62 6.025 10.856 3.825 1.00 0.53 H new ATOM 0 HB2 ARG B 62 8.473 11.384 5.571 1.00 0.62 H new ATOM 0 HB3 ARG B 62 7.217 10.231 5.976 1.00 0.62 H new ATOM 0 HG2 ARG B 62 7.746 8.859 4.053 1.00 1.40 H new ATOM 0 HG3 ARG B 62 8.829 10.077 3.409 1.00 1.40 H new ATOM 0 HD2 ARG B 62 9.230 8.623 6.054 1.00 1.46 H new ATOM 0 HD3 ARG B 62 10.022 8.195 4.550 1.00 1.46 H new ATOM 0 HE ARG B 62 10.453 10.991 5.226 1.00 2.25 H new ATOM 0 HH11 ARG B 62 11.482 7.690 5.938 1.00 2.13 H new ATOM 0 HH12 ARG B 62 13.102 8.182 6.442 1.00 2.13 H new ATOM 0 HH21 ARG B 62 12.539 11.612 5.859 1.00 3.67 H new ATOM 0 HH22 ARG B 62 13.698 10.392 6.398 1.00 3.67 H new ATOM 1808 N GLU B 63 6.209 13.700 5.285 1.00 0.57 N ATOM 1809 CA GLU B 63 5.460 14.632 6.120 1.00 0.63 C ATOM 1810 C GLU B 63 4.280 15.217 5.352 1.00 0.62 C ATOM 1811 O GLU B 63 3.435 15.906 5.920 1.00 0.74 O ATOM 1812 CB GLU B 63 6.365 15.756 6.621 1.00 0.73 C ATOM 1813 CG GLU B 63 7.514 15.271 7.484 1.00 1.69 C ATOM 1814 CD GLU B 63 8.410 16.400 7.944 1.00 2.52 C ATOM 1815 OE1 GLU B 63 9.197 16.910 7.120 1.00 3.12 O ATOM 1816 OE2 GLU B 63 8.336 16.779 9.131 1.00 3.19 O ATOM 0 H GLU B 63 6.958 14.125 4.739 1.00 0.57 H new ATOM 0 HA GLU B 63 5.079 14.080 6.979 1.00 0.63 H new ATOM 0 HB2 GLU B 63 6.768 16.296 5.764 1.00 0.73 H new ATOM 0 HB3 GLU B 63 5.767 16.466 7.192 1.00 0.73 H new ATOM 0 HG2 GLU B 63 7.116 14.750 8.355 1.00 1.69 H new ATOM 0 HG3 GLU B 63 8.106 14.548 6.923 1.00 1.69 H new ATOM 1823 N ALA B 64 4.218 14.926 4.060 1.00 0.55 N ATOM 1824 CA ALA B 64 3.169 15.466 3.204 1.00 0.59 C ATOM 1825 C ALA B 64 2.026 14.471 3.041 1.00 0.53 C ATOM 1826 O ALA B 64 1.015 14.773 2.403 1.00 0.56 O ATOM 1827 CB ALA B 64 3.741 15.841 1.845 1.00 0.66 C ATOM 0 H ALA B 64 4.882 14.318 3.580 1.00 0.55 H new ATOM 0 HA ALA B 64 2.770 16.362 3.680 1.00 0.59 H new ATOM 0 HB1 ALA B 64 2.948 16.243 1.215 1.00 0.66 H new ATOM 0 HB2 ALA B 64 4.519 16.593 1.973 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.166 14.956 1.372 1.00 0.66 H new ATOM 1833 N VAL B 65 2.188 13.292 3.633 1.00 0.50 N ATOM 1834 CA VAL B 65 1.204 12.219 3.510 1.00 0.46 C ATOM 1835 C VAL B 65 -0.179 12.654 4.003 1.00 0.52 C ATOM 1836 O VAL B 65 -1.187 12.411 3.339 1.00 0.53 O ATOM 1837 CB VAL B 65 1.664 10.944 4.266 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.057 11.259 5.697 1.00 0.51 C ATOM 1839 CG2 VAL B 65 0.583 9.877 4.249 1.00 0.50 C ATOM 0 H VAL B 65 2.997 13.053 4.207 1.00 0.50 H new ATOM 0 HA VAL B 65 1.125 11.985 2.448 1.00 0.46 H new ATOM 0 HB VAL B 65 2.541 10.561 3.745 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.374 10.344 6.197 1.00 0.51 H new ATOM 0 HG12 VAL B 65 2.877 11.977 5.699 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.202 11.683 6.224 1.00 0.51 H new ATOM 0 HG21 VAL B 65 0.933 8.996 4.786 1.00 0.50 H new ATOM 0 HG22 VAL B 65 -0.316 10.262 4.731 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.355 9.607 3.218 1.00 0.50 H new ATOM 1843 N SER B 66 -0.220 13.328 5.145 1.00 0.62 N ATOM 1844 CA SER B 66 -1.478 13.755 5.737 1.00 0.74 C ATOM 1845 C SER B 66 -2.180 14.785 4.851 1.00 0.75 C ATOM 1846 O SER B 66 -3.409 14.794 4.745 1.00 0.83 O ATOM 1847 CB SER B 66 -1.218 14.327 7.127 1.00 0.88 C ATOM 1848 OG SER B 66 -0.503 13.395 7.923 1.00 1.63 O ATOM 0 H SER B 66 0.607 13.591 5.680 1.00 0.62 H new ATOM 0 HA SER B 66 -2.137 12.891 5.823 1.00 0.74 H new ATOM 0 HB2 SER B 66 -0.651 15.254 7.045 1.00 0.88 H new ATOM 0 HB3 SER B 66 -2.165 14.574 7.608 1.00 0.88 H new ATOM 0 HG SER B 66 -0.343 13.778 8.811 1.00 1.63 H new ATOM 1854 N GLY B 67 -1.391 15.636 4.206 1.00 0.71 N ATOM 1855 CA GLY B 67 -1.943 16.622 3.298 1.00 0.74 C ATOM 1856 C GLY B 67 -2.517 15.984 2.050 1.00 0.69 C ATOM 1857 O GLY B 67 -3.535 16.433 1.528 1.00 0.74 O ATOM 0 H GLY B 67 -0.375 15.660 4.297 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -2.723 17.188 3.808 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -1.165 17.332 3.017 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.859 14.932 1.575 1.00 0.61 N ATOM 1862 CA ILE B 68 -2.335 14.184 0.417 1.00 0.58 C ATOM 1863 C ILE B 68 -3.640 13.465 0.751 1.00 0.62 C ATOM 1864 O ILE B 68 -4.594 13.481 -0.028 1.00 0.70 O ATOM 1865 CB ILE B 68 -1.287 13.151 -0.054 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.017 13.851 -0.445 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.823 12.336 -1.223 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.122 12.898 -0.849 1.00 0.45 C ATOM 0 H ILE B 68 -0.991 14.577 1.976 1.00 0.61 H new ATOM 0 HA ILE B 68 -2.506 14.898 -0.389 1.00 0.58 H new ATOM 0 HB ILE B 68 -1.082 12.471 0.773 1.00 0.50 H new ATOM 0 HG12 ILE B 68 -0.181 14.534 -1.271 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.360 14.456 0.394 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -1.070 11.615 -1.539 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.725 11.807 -0.915 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -2.059 13.002 -2.053 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.014 13.466 -1.112 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.349 12.231 -0.018 1.00 0.45 H new ATOM 0 HD13 ILE B 68 0.799 12.310 -1.708 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.674 12.848 1.927 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.857 12.135 2.388 1.00 0.66 C ATOM 1877 C LEU B 69 -6.029 13.090 2.570 1.00 0.84 C ATOM 1878 O LEU B 69 -7.156 12.783 2.184 1.00 1.13 O ATOM 1879 CB LEU B 69 -4.558 11.407 3.701 1.00 0.61 C ATOM 1880 CG LEU B 69 -3.471 10.333 3.613 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -3.166 9.761 4.988 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.892 9.227 2.660 1.00 0.45 C ATOM 0 H LEU B 69 -2.891 12.828 2.580 1.00 0.61 H new ATOM 0 HA LEU B 69 -5.130 11.400 1.631 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -4.260 12.143 4.447 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -5.477 10.944 4.059 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.564 10.797 3.227 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -2.391 9.000 4.902 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.820 10.559 5.645 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -4.069 9.314 5.405 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.107 8.472 2.610 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.814 8.769 3.019 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -4.057 9.645 1.667 1.00 0.45 H new ATOM 1894 N GLY B 70 -5.751 14.261 3.130 1.00 0.79 N ATOM 1895 CA GLY B 70 -6.795 15.237 3.387 1.00 0.93 C ATOM 1896 C GLY B 70 -7.475 15.724 2.121 1.00 0.98 C ATOM 1897 O GLY B 70 -8.629 16.142 2.154 1.00 1.24 O ATOM 0 H GLY B 70 -4.816 14.554 3.412 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -7.542 14.797 4.048 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -6.366 16.090 3.914 1.00 0.93 H new ATOM 1901 N LYS B 71 -6.769 15.660 1.003 1.00 0.86 N ATOM 1902 CA LYS B 71 -7.308 16.130 -0.263 1.00 0.97 C ATOM 1903 C LYS B 71 -7.940 14.993 -1.060 1.00 0.98 C ATOM 1904 O LYS B 71 -8.450 15.212 -2.159 1.00 1.25 O ATOM 1905 CB LYS B 71 -6.207 16.781 -1.101 1.00 1.11 C ATOM 1906 CG LYS B 71 -5.556 17.984 -0.440 1.00 1.68 C ATOM 1907 CD LYS B 71 -4.532 18.629 -1.360 1.00 2.11 C ATOM 1908 CE LYS B 71 -3.818 19.788 -0.684 1.00 2.60 C ATOM 1909 NZ LYS B 71 -3.024 19.339 0.491 1.00 3.15 N ATOM 0 H LYS B 71 -5.821 15.287 0.947 1.00 0.86 H new ATOM 0 HA LYS B 71 -8.081 16.864 -0.035 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -5.439 16.037 -1.314 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -6.627 17.089 -2.058 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -6.320 18.714 -0.174 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -5.073 17.676 0.487 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -3.801 17.883 -1.670 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -5.028 18.984 -2.263 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -3.160 20.278 -1.402 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -4.550 20.530 -0.366 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -3.433 19.739 1.360 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -3.042 18.301 0.546 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -2.041 19.663 0.390 1.00 3.15 H new ATOM 1923 N SER B 72 -7.919 13.785 -0.509 1.00 0.91 N ATOM 1924 CA SER B 72 -8.384 12.620 -1.246 1.00 1.08 C ATOM 1925 C SER B 72 -9.555 11.925 -0.551 1.00 1.03 C ATOM 1926 O SER B 72 -10.083 12.417 0.450 1.00 1.20 O ATOM 1927 CB SER B 72 -7.226 11.642 -1.451 1.00 1.29 C ATOM 1928 OG SER B 72 -6.561 11.372 -0.229 1.00 2.02 O ATOM 0 H SER B 72 -7.588 13.589 0.436 1.00 0.91 H new ATOM 0 HA SER B 72 -8.748 12.963 -2.214 1.00 1.08 H new ATOM 0 HB2 SER B 72 -7.603 10.712 -1.876 1.00 1.29 H new ATOM 0 HB3 SER B 72 -6.519 12.057 -2.169 1.00 1.29 H new ATOM 0 HG SER B 72 -6.527 10.404 -0.082 1.00 2.02 H new ATOM 1934 N GLU B 73 -9.948 10.775 -1.094 1.00 1.12 N ATOM 1935 CA GLU B 73 -11.049 9.978 -0.556 1.00 1.30 C ATOM 1936 C GLU B 73 -10.713 9.419 0.820 1.00 1.26 C ATOM 1937 O GLU B 73 -11.597 9.026 1.580 1.00 1.86 O ATOM 1938 CB GLU B 73 -11.335 8.807 -1.497 1.00 1.67 C ATOM 1939 CG GLU B 73 -11.633 9.222 -2.923 1.00 1.87 C ATOM 1940 CD GLU B 73 -12.943 9.959 -3.044 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.982 11.166 -2.737 1.00 2.46 O ATOM 1942 OE2 GLU B 73 -13.936 9.333 -3.467 1.00 2.64 O ATOM 0 H GLU B 73 -9.511 10.368 -1.921 1.00 1.12 H new ATOM 0 HA GLU B 73 -11.919 10.628 -0.468 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -10.476 8.136 -1.497 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -12.182 8.241 -1.109 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -10.827 9.857 -3.290 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -11.657 8.337 -3.559 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.429 9.382 1.124 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.940 8.687 2.302 1.00 1.02 C ATOM 1951 C PHE B 74 -9.020 9.571 3.541 1.00 1.07 C ATOM 1952 O PHE B 74 -9.169 9.069 4.658 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.508 8.223 2.047 1.00 0.94 C ATOM 1954 CG PHE B 74 -7.325 7.650 0.667 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.194 6.684 0.180 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -6.290 8.084 -0.146 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -8.035 6.167 -1.091 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -6.126 7.567 -1.417 1.00 1.25 C ATOM 1959 CZ PHE B 74 -6.998 6.607 -1.890 1.00 1.19 C ATOM 0 H PHE B 74 -8.700 9.829 0.567 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.571 7.819 2.492 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.828 9.064 2.181 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.236 7.472 2.788 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.004 6.332 0.802 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -5.604 8.835 0.218 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -8.721 5.419 -1.460 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -5.315 7.914 -2.041 1.00 1.25 H new ATOM 0 HZ PHE B 74 -6.870 6.201 -2.883 1.00 1.19 H new ATOM 2015 N HIS B 78 -6.220 4.939 7.977 1.00 0.88 N ATOM 2016 CA HIS B 78 -5.186 3.989 7.591 1.00 0.85 C ATOM 2017 C HIS B 78 -5.667 3.117 6.439 1.00 0.69 C ATOM 2018 O HIS B 78 -6.861 2.832 6.319 1.00 0.68 O ATOM 2019 CB HIS B 78 -4.784 3.095 8.770 1.00 1.02 C ATOM 2020 CG HIS B 78 -4.316 3.838 9.986 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -3.294 4.711 10.160 1.00 1.50 N flip ATOM 2022 CD2 HIS B 78 -4.911 3.701 11.222 1.00 1.41 C flip ATOM 2023 CE1 HIS B 78 -3.294 5.077 11.480 1.00 1.95 C flip ATOM 2024 NE2 HIS B 78 -4.278 4.455 12.100 1.00 1.85 N flip ATOM 0 HA HIS B 78 -4.315 4.563 7.275 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -5.637 2.474 9.045 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -3.991 2.421 8.444 1.00 1.02 H new ATOM 0 HD1 HIS B 78 -2.646 5.035 9.442 1.00 1.50 H new ATOM 0 HD2 HIS B 78 -5.763 3.074 11.438 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -2.599 5.765 11.939 1.00 1.95 H new ATOM 2033 N LEU B 79 -4.726 2.692 5.605 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.020 1.821 4.469 1.00 0.46 C ATOM 2035 C LEU B 79 -5.748 0.554 4.919 1.00 0.44 C ATOM 2036 O LEU B 79 -6.662 0.073 4.248 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.715 1.438 3.763 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.867 0.552 2.523 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.648 1.274 1.439 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.503 0.127 2.004 1.00 0.41 C ATOM 0 H LEU B 79 -3.740 2.939 5.695 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.669 2.364 3.782 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.198 2.353 3.472 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.074 0.923 4.478 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.423 -0.341 2.806 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.744 0.627 0.567 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.640 1.528 1.813 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -4.122 2.186 1.157 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.629 -0.502 1.123 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.923 1.011 1.739 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.978 -0.433 2.778 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.347 0.038 6.071 1.00 0.50 N ATOM 2053 CA ALA B 80 -5.885 -1.212 6.583 1.00 0.54 C ATOM 2054 C ALA B 80 -7.354 -1.086 6.969 1.00 0.58 C ATOM 2055 O ALA B 80 -8.131 -2.008 6.743 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.065 -1.680 7.765 1.00 0.63 C ATOM 0 H ALA B 80 -4.646 0.470 6.672 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.824 -1.952 5.785 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.474 -2.617 8.143 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.032 -1.835 7.453 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.097 -0.926 8.552 1.00 0.63 H new ATOM 2062 N ASP B 81 -7.732 0.053 7.547 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.129 0.298 7.916 1.00 0.70 C ATOM 2064 C ASP B 81 -10.012 0.192 6.684 1.00 0.60 C ATOM 2065 O ASP B 81 -11.111 -0.367 6.723 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.297 1.687 8.541 1.00 0.78 C ATOM 2067 CG ASP B 81 -8.622 1.817 9.891 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -7.416 2.132 9.930 1.00 2.30 O ATOM 2069 OD2 ASP B 81 -9.297 1.624 10.923 1.00 2.06 O ATOM 0 H ASP B 81 -7.096 0.818 7.770 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.423 -0.452 8.650 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -8.887 2.436 7.863 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -10.360 1.903 8.650 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.508 0.731 5.589 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.201 0.686 4.316 1.00 0.44 C ATOM 2076 C ILE B 82 -10.267 -0.744 3.776 1.00 0.48 C ATOM 2077 O ILE B 82 -11.348 -1.250 3.479 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.506 1.608 3.293 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.710 3.074 3.689 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -10.022 1.344 1.888 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -9.009 4.059 2.779 1.00 0.61 C ATOM 0 H ILE B 82 -8.609 1.211 5.558 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.220 1.038 4.475 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.437 1.393 3.296 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.778 3.294 3.692 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.352 3.218 4.708 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.517 2.006 1.185 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.824 0.307 1.616 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -11.096 1.529 1.854 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -9.201 5.075 3.125 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.936 3.868 2.794 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -9.384 3.945 1.762 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.113 -1.392 3.682 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.017 -2.734 3.103 1.00 0.52 C ATOM 2090 C LEU B 83 -9.774 -3.771 3.928 1.00 0.69 C ATOM 2091 O LEU B 83 -10.321 -4.726 3.380 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.551 -3.145 2.956 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.898 -2.793 1.614 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -7.093 -1.325 1.273 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.419 -3.132 1.650 1.00 0.43 C ATOM 0 H LEU B 83 -8.222 -1.010 4.001 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.482 -2.696 2.118 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -6.978 -2.673 3.754 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.477 -4.222 3.105 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.382 -3.384 0.837 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.619 -1.108 0.316 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -8.159 -1.105 1.208 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.642 -0.708 2.050 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.964 -2.878 0.692 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -4.935 -2.563 2.444 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.295 -4.198 1.840 1.00 0.43 H new ATOM 2107 N ASN B 84 -9.803 -3.582 5.242 1.00 0.74 N ATOM 2108 CA ASN B 84 -10.553 -4.469 6.127 1.00 0.94 C ATOM 2109 C ASN B 84 -12.038 -4.412 5.790 1.00 0.97 C ATOM 2110 O ASN B 84 -12.729 -5.435 5.755 1.00 1.14 O ATOM 2111 CB ASN B 84 -10.330 -4.070 7.592 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.102 -4.939 8.570 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -12.257 -4.662 8.887 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -10.457 -5.976 9.083 1.00 1.79 N ATOM 0 H ASN B 84 -9.316 -2.823 5.719 1.00 0.74 H new ATOM 0 HA ASN B 84 -10.197 -5.489 5.983 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -9.266 -4.132 7.821 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -10.625 -3.030 7.728 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -10.919 -6.577 9.766 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -9.499 -6.174 8.795 1.00 1.79 H new ATOM 2121 N SER B 85 -12.513 -3.206 5.516 1.00 0.87 N ATOM 2122 CA SER B 85 -13.915 -2.980 5.217 1.00 0.93 C ATOM 2123 C SER B 85 -14.245 -3.398 3.783 1.00 0.91 C ATOM 2124 O SER B 85 -15.274 -4.031 3.532 1.00 1.01 O ATOM 2125 CB SER B 85 -14.248 -1.503 5.424 1.00 0.97 C ATOM 2126 OG SER B 85 -13.810 -1.061 6.702 1.00 1.50 O ATOM 0 H SER B 85 -11.940 -2.363 5.495 1.00 0.87 H new ATOM 0 HA SER B 85 -14.518 -3.588 5.891 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.773 -0.906 4.645 1.00 0.97 H new ATOM 0 HB3 SER B 85 -15.323 -1.351 5.331 1.00 0.97 H new ATOM 0 HG SER B 85 -12.858 -0.831 6.660 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.358 -3.055 2.857 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.562 -3.342 1.441 1.00 0.95 C ATOM 2134 C ALA B 86 -13.641 -4.842 1.180 1.00 1.14 C ATOM 2135 O ALA B 86 -12.982 -5.639 1.850 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.446 -2.722 0.613 1.00 1.09 C ATOM 0 H ALA B 86 -12.483 -2.573 3.063 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.514 -2.902 1.145 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.610 -2.943 -0.442 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.440 -1.642 0.761 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.488 -3.136 0.926 1.00 1.09 H new