USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 862 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 28 ASN : amide:sc= -0.527 K(o=-0.018,f=-2.1) USER MOD Set 1.2: B 78 HIS : no HE2:sc= 0.509 K(o=-0.018,f=-3.2!) USER MOD Set 2.1: B 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 36 LYS NZ :NH3+ -158:sc= -0.604 (180deg=-1.44!) USER MOD Set 3.1: A 28 ASN : amide:sc= -0.525 K(o=-0.025,f=-2.2!) USER MOD Set 3.2: A 78 HIS : no HE2:sc= 0.5 K(o=-0.025,f=-3.1!) USER MOD Set 4.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 36 LYS NZ :NH3+ -155:sc= -0.596 (180deg=-1.48!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.623) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.689 USER MOD Single : A 31 SER OG : rot 71:sc= 1.25 USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -0.0516 (180deg=-0.335) USER MOD Single : A 40 SER OG : rot 32:sc= 0.999 USER MOD Single : A 46 SER OG : rot 81:sc= 1.33 USER MOD Single : A 48 ASN : amide:sc= -1.35 K(o=-1.4,f=-1.9!) USER MOD Single : A 51 MET CE :methyl 151:sc= -2.26! (180deg=-3.08!) USER MOD Single : A 53 CYS SG : rot 79:sc= 0.979 USER MOD Single : A 55 SER OG : rot 90:sc= 1.28 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 93:sc= 1.22 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ -155:sc= 1.15 (180deg=0.785) USER MOD Single : B 29 TYR OH : rot 15:sc= -0.7 USER MOD Single : B 31 SER OG : rot 66:sc= 1.21 USER MOD Single : B 37 LYS NZ :NH3+ 163:sc= -0.063 (180deg=-0.308) USER MOD Single : B 40 SER OG : rot 33:sc= 1 USER MOD Single : B 46 SER OG : rot 83:sc= 1.28 USER MOD Single : B 48 ASN : amide:sc= -1.5 X(o=-1.5,f=-2!) USER MOD Single : B 51 MET CE :methyl 150:sc= -2.23! (180deg=-3.07!) USER MOD Single : B 53 CYS SG : rot 73:sc= 0.993 USER MOD Single : B 55 SER OG : rot 91:sc= 1.26 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot 93:sc= 1.21 USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=0.48) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.408 -7.470 6.931 1.00 0.93 N ATOM 49 CA ALA A 17 -7.231 -6.955 6.251 1.00 0.81 C ATOM 50 C ALA A 17 -5.982 -7.150 7.103 1.00 0.69 C ATOM 51 O ALA A 17 -5.516 -6.224 7.768 1.00 0.70 O ATOM 52 CB ALA A 17 -7.421 -5.486 5.905 1.00 1.09 C ATOM 0 HA ALA A 17 -7.097 -7.515 5.325 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.532 -5.114 5.396 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.286 -5.375 5.251 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.582 -4.915 6.819 1.00 1.09 H new ATOM 58 N SER A 18 -5.460 -8.367 7.094 1.00 0.64 N ATOM 59 CA SER A 18 -4.241 -8.682 7.816 1.00 0.61 C ATOM 60 C SER A 18 -3.034 -8.097 7.087 1.00 0.50 C ATOM 61 O SER A 18 -3.064 -7.950 5.863 1.00 0.45 O ATOM 62 CB SER A 18 -4.102 -10.196 7.971 1.00 0.66 C ATOM 63 OG SER A 18 -5.249 -10.744 8.601 1.00 1.32 O ATOM 0 H SER A 18 -5.866 -9.156 6.591 1.00 0.64 H new ATOM 0 HA SER A 18 -4.288 -8.238 8.810 1.00 0.61 H new ATOM 0 HB2 SER A 18 -3.964 -10.655 6.992 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.213 -10.426 8.559 1.00 0.66 H new ATOM 0 HG SER A 18 -5.142 -11.714 8.690 1.00 1.32 H new ATOM 69 N LYS A 19 -1.986 -7.760 7.829 1.00 0.50 N ATOM 70 CA LYS A 19 -0.869 -6.998 7.272 1.00 0.43 C ATOM 71 C LYS A 19 -0.263 -7.655 6.028 1.00 0.34 C ATOM 72 O LYS A 19 -0.060 -6.983 5.015 1.00 0.28 O ATOM 73 CB LYS A 19 0.206 -6.742 8.339 1.00 0.54 C ATOM 74 CG LYS A 19 0.651 -7.975 9.107 1.00 0.84 C ATOM 75 CD LYS A 19 1.712 -7.625 10.136 1.00 1.12 C ATOM 76 CE LYS A 19 2.024 -8.801 11.045 1.00 1.73 C ATOM 77 NZ LYS A 19 0.842 -9.204 11.855 1.00 2.10 N ATOM 0 H LYS A 19 -1.884 -8.000 8.815 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.275 -6.039 6.950 1.00 0.43 H new ATOM 0 HB2 LYS A 19 1.077 -6.298 7.857 1.00 0.54 H new ATOM 0 HB3 LYS A 19 -0.175 -6.008 9.049 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.207 -8.427 9.604 1.00 0.84 H new ATOM 0 HG3 LYS A 19 1.044 -8.717 8.413 1.00 0.84 H new ATOM 0 HD2 LYS A 19 2.622 -7.308 9.627 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.372 -6.781 10.737 1.00 1.12 H new ATOM 0 HE2 LYS A 19 2.357 -9.647 10.443 1.00 1.73 H new ATOM 0 HE3 LYS A 19 2.847 -8.538 11.709 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 1.156 -9.769 12.670 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 0.347 -8.354 12.193 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 0.197 -9.771 11.269 1.00 2.10 H new ATOM 91 N GLU A 20 -0.010 -8.962 6.084 1.00 0.41 N ATOM 92 CA GLU A 20 0.638 -9.654 4.967 1.00 0.41 C ATOM 93 C GLU A 20 -0.262 -9.667 3.729 1.00 0.34 C ATOM 94 O GLU A 20 0.224 -9.625 2.600 1.00 0.30 O ATOM 95 CB GLU A 20 1.031 -11.081 5.365 1.00 0.57 C ATOM 96 CG GLU A 20 -0.146 -11.987 5.679 1.00 0.64 C ATOM 97 CD GLU A 20 0.288 -13.312 6.265 1.00 0.95 C ATOM 98 OE1 GLU A 20 0.540 -14.259 5.494 1.00 1.49 O ATOM 99 OE2 GLU A 20 0.384 -13.410 7.507 1.00 1.57 O ATOM 0 H GLU A 20 -0.240 -9.558 6.879 1.00 0.41 H new ATOM 0 HA GLU A 20 1.546 -9.106 4.717 1.00 0.41 H new ATOM 0 HB2 GLU A 20 1.611 -11.525 4.556 1.00 0.57 H new ATOM 0 HB3 GLU A 20 1.683 -11.036 6.237 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -0.812 -11.483 6.380 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -0.717 -12.165 4.768 1.00 0.64 H new ATOM 106 N GLU A 21 -1.571 -9.697 3.953 1.00 0.37 N ATOM 107 CA GLU A 21 -2.542 -9.661 2.866 1.00 0.39 C ATOM 108 C GLU A 21 -2.500 -8.296 2.192 1.00 0.32 C ATOM 109 O GLU A 21 -2.538 -8.180 0.967 1.00 0.34 O ATOM 110 CB GLU A 21 -3.947 -9.912 3.411 1.00 0.50 C ATOM 111 CG GLU A 21 -4.047 -11.116 4.333 1.00 0.61 C ATOM 112 CD GLU A 21 -3.829 -12.438 3.633 1.00 0.91 C ATOM 113 OE1 GLU A 21 -4.612 -12.769 2.724 1.00 1.49 O ATOM 114 OE2 GLU A 21 -2.898 -13.175 4.021 1.00 1.54 O ATOM 0 H GLU A 21 -1.986 -9.746 4.884 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.294 -10.437 2.142 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.280 -9.025 3.951 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -4.631 -10.051 2.574 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -3.313 -11.013 5.132 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -5.030 -11.122 4.803 1.00 0.61 H new ATOM 121 N ILE A 22 -2.413 -7.265 3.022 1.00 0.30 N ATOM 122 CA ILE A 22 -2.323 -5.893 2.556 1.00 0.28 C ATOM 123 C ILE A 22 -1.035 -5.677 1.773 1.00 0.24 C ATOM 124 O ILE A 22 -1.046 -5.099 0.686 1.00 0.26 O ATOM 125 CB ILE A 22 -2.375 -4.912 3.744 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.717 -5.043 4.466 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.142 -3.480 3.280 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.803 -4.226 5.731 1.00 0.44 C ATOM 0 H ILE A 22 -2.403 -7.359 4.038 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.174 -5.704 1.901 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.576 -5.164 4.442 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.515 -4.736 3.790 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -3.889 -6.092 4.708 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.184 -2.808 4.137 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.162 -3.405 2.808 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -2.913 -3.200 2.562 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.782 -4.367 6.190 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -3.027 -4.548 6.425 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.663 -3.172 5.493 1.00 0.44 H new ATOM 135 N ALA A 23 0.068 -6.160 2.333 1.00 0.20 N ATOM 136 CA ALA A 23 1.371 -6.055 1.691 1.00 0.19 C ATOM 137 C ALA A 23 1.342 -6.671 0.301 1.00 0.20 C ATOM 138 O ALA A 23 1.954 -6.148 -0.628 1.00 0.20 O ATOM 139 CB ALA A 23 2.431 -6.730 2.538 1.00 0.20 C ATOM 0 H ALA A 23 0.084 -6.632 3.237 1.00 0.20 H new ATOM 0 HA ALA A 23 1.617 -4.998 1.593 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.400 -6.644 2.046 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.476 -6.249 3.515 1.00 0.20 H new ATOM 0 HB3 ALA A 23 2.180 -7.783 2.663 1.00 0.20 H new ATOM 145 N ALA A 24 0.617 -7.774 0.168 1.00 0.22 N ATOM 146 CA ALA A 24 0.472 -8.453 -1.109 1.00 0.25 C ATOM 147 C ALA A 24 -0.148 -7.526 -2.153 1.00 0.24 C ATOM 148 O ALA A 24 0.305 -7.472 -3.294 1.00 0.25 O ATOM 149 CB ALA A 24 -0.372 -9.704 -0.938 1.00 0.31 C ATOM 0 H ALA A 24 0.117 -8.219 0.937 1.00 0.22 H new ATOM 0 HA ALA A 24 1.462 -8.741 -1.463 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.476 -10.207 -1.899 1.00 0.31 H new ATOM 0 HB2 ALA A 24 0.111 -10.375 -0.228 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.358 -9.429 -0.564 1.00 0.31 H new ATOM 155 N LEU A 25 -1.173 -6.786 -1.753 1.00 0.23 N ATOM 156 CA LEU A 25 -1.813 -5.823 -2.642 1.00 0.23 C ATOM 157 C LEU A 25 -0.884 -4.649 -2.931 1.00 0.22 C ATOM 158 O LEU A 25 -0.854 -4.130 -4.047 1.00 0.25 O ATOM 159 CB LEU A 25 -3.118 -5.314 -2.031 1.00 0.26 C ATOM 160 CG LEU A 25 -4.294 -6.286 -2.106 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.422 -5.816 -1.210 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.782 -6.420 -3.541 1.00 0.44 C ATOM 0 H LEU A 25 -1.580 -6.833 -0.819 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.035 -6.330 -3.581 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -2.938 -5.066 -0.985 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.399 -4.389 -2.534 1.00 0.26 H new ATOM 0 HG LEU A 25 -3.958 -7.264 -1.761 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.253 -6.518 -1.273 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.070 -5.762 -0.180 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.755 -4.829 -1.532 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.620 -7.116 -3.577 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.104 -5.446 -3.908 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.972 -6.795 -4.167 1.00 0.44 H new ATOM 174 N ILE A 26 -0.127 -4.244 -1.921 1.00 0.21 N ATOM 175 CA ILE A 26 0.804 -3.132 -2.057 1.00 0.22 C ATOM 176 C ILE A 26 1.915 -3.468 -3.049 1.00 0.20 C ATOM 177 O ILE A 26 2.160 -2.718 -3.996 1.00 0.23 O ATOM 178 CB ILE A 26 1.427 -2.749 -0.698 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.335 -2.332 0.291 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.437 -1.624 -0.874 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.849 -2.057 1.687 1.00 0.27 C ATOM 0 H ILE A 26 -0.139 -4.671 -0.995 1.00 0.21 H new ATOM 0 HA ILE A 26 0.235 -2.282 -2.432 1.00 0.22 H new ATOM 0 HB ILE A 26 1.945 -3.621 -0.298 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.162 -1.438 -0.086 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.418 -3.119 0.339 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.867 -1.366 0.094 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.230 -1.949 -1.548 1.00 0.25 H new ATOM 0 HG23 ILE A 26 1.939 -0.750 -1.294 1.00 0.25 H new ATOM 0 HD11 ILE A 26 0.018 -1.767 2.330 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.320 -2.956 2.085 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.580 -1.249 1.653 1.00 0.27 H new ATOM 188 N VAL A 27 2.573 -4.603 -2.840 1.00 0.18 N ATOM 189 CA VAL A 27 3.666 -5.016 -3.711 1.00 0.20 C ATOM 190 C VAL A 27 3.156 -5.313 -5.119 1.00 0.22 C ATOM 191 O VAL A 27 3.858 -5.083 -6.105 1.00 0.24 O ATOM 192 CB VAL A 27 4.428 -6.244 -3.156 1.00 0.21 C ATOM 193 CG1 VAL A 27 5.042 -5.926 -1.803 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.527 -7.465 -3.059 1.00 0.21 C ATOM 0 H VAL A 27 2.370 -5.250 -2.079 1.00 0.18 H new ATOM 0 HA VAL A 27 4.367 -4.182 -3.751 1.00 0.20 H new ATOM 0 HB VAL A 27 5.229 -6.479 -3.857 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.573 -6.802 -1.430 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.740 -5.095 -1.906 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.254 -5.653 -1.101 1.00 0.21 H new ATOM 0 HG21 VAL A 27 4.096 -8.307 -2.666 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.692 -7.249 -2.393 1.00 0.21 H new ATOM 0 HG23 VAL A 27 3.146 -7.716 -4.049 1.00 0.21 H new ATOM 198 N ASN A 28 1.923 -5.802 -5.208 1.00 0.26 N ATOM 199 CA ASN A 28 1.305 -6.077 -6.499 1.00 0.32 C ATOM 200 C ASN A 28 1.015 -4.774 -7.232 1.00 0.27 C ATOM 201 O ASN A 28 1.217 -4.676 -8.440 1.00 0.29 O ATOM 202 CB ASN A 28 0.012 -6.876 -6.326 1.00 0.45 C ATOM 203 CG ASN A 28 -0.601 -7.288 -7.652 1.00 0.68 C ATOM 204 OD1 ASN A 28 -1.404 -6.561 -8.233 1.00 1.59 O ATOM 205 ND2 ASN A 28 -0.225 -8.461 -8.140 1.00 0.86 N ATOM 0 H ASN A 28 1.334 -6.015 -4.403 1.00 0.26 H new ATOM 0 HA ASN A 28 2.002 -6.672 -7.089 1.00 0.32 H new ATOM 0 HB2 ASN A 28 0.216 -7.767 -5.732 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -0.708 -6.278 -5.767 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -0.605 -8.789 -9.028 1.00 0.86 H new ATOM 0 HD22 ASN A 28 0.444 -9.036 -7.628 1.00 0.86 H new ATOM 212 N TYR A 29 0.552 -3.771 -6.492 1.00 0.25 N ATOM 213 CA TYR A 29 0.290 -2.459 -7.069 1.00 0.24 C ATOM 214 C TYR A 29 1.583 -1.837 -7.582 1.00 0.19 C ATOM 215 O TYR A 29 1.626 -1.302 -8.687 1.00 0.19 O ATOM 216 CB TYR A 29 -0.372 -1.529 -6.049 1.00 0.29 C ATOM 217 CG TYR A 29 -0.534 -0.112 -6.556 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.318 0.159 -7.670 1.00 1.23 C ATOM 219 CD2 TYR A 29 0.114 0.947 -5.935 1.00 1.20 C ATOM 220 CE1 TYR A 29 -1.455 1.446 -8.149 1.00 1.25 C ATOM 221 CE2 TYR A 29 -0.016 2.239 -6.410 1.00 1.22 C ATOM 222 CZ TYR A 29 -0.802 2.481 -7.517 1.00 0.43 C ATOM 223 OH TYR A 29 -0.933 3.763 -7.996 1.00 0.50 O ATOM 0 H TYR A 29 0.351 -3.842 -5.494 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.397 -2.592 -7.905 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.351 -1.928 -5.784 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.225 -1.516 -5.137 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.829 -0.651 -8.170 1.00 1.23 H new ATOM 0 HD2 TYR A 29 0.729 0.759 -5.067 1.00 1.20 H new ATOM 0 HE1 TYR A 29 -2.071 1.641 -9.015 1.00 1.25 H new ATOM 0 HE2 TYR A 29 0.495 3.053 -5.917 1.00 1.22 H new ATOM 0 HH TYR A 29 -1.689 3.804 -8.618 1.00 0.50 H new ATOM 233 N PHE A 30 2.634 -1.918 -6.779 1.00 0.16 N ATOM 234 CA PHE A 30 3.942 -1.420 -7.186 1.00 0.16 C ATOM 235 C PHE A 30 4.413 -2.137 -8.448 1.00 0.18 C ATOM 236 O PHE A 30 4.957 -1.519 -9.364 1.00 0.21 O ATOM 237 CB PHE A 30 4.961 -1.611 -6.063 1.00 0.19 C ATOM 238 CG PHE A 30 4.767 -0.703 -4.875 1.00 0.19 C ATOM 239 CD1 PHE A 30 3.805 0.298 -4.883 1.00 1.18 C ATOM 240 CD2 PHE A 30 5.560 -0.849 -3.749 1.00 1.19 C ATOM 241 CE1 PHE A 30 3.641 1.130 -3.793 1.00 1.17 C ATOM 242 CE2 PHE A 30 5.399 -0.019 -2.656 1.00 1.22 C ATOM 243 CZ PHE A 30 4.439 0.972 -2.679 1.00 0.25 C ATOM 0 H PHE A 30 2.608 -2.323 -5.843 1.00 0.16 H new ATOM 0 HA PHE A 30 3.853 -0.355 -7.399 1.00 0.16 H new ATOM 0 HB2 PHE A 30 4.917 -2.646 -5.723 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.961 -1.450 -6.467 1.00 0.19 H new ATOM 0 HD1 PHE A 30 3.177 0.428 -5.752 1.00 1.18 H new ATOM 0 HD2 PHE A 30 6.314 -1.622 -3.725 1.00 1.19 H new ATOM 0 HE1 PHE A 30 2.888 1.904 -3.813 1.00 1.17 H new ATOM 0 HE2 PHE A 30 6.024 -0.146 -1.784 1.00 1.22 H new ATOM 0 HZ PHE A 30 4.313 1.623 -1.826 1.00 0.25 H new ATOM 253 N SER A 31 4.174 -3.441 -8.495 1.00 0.21 N ATOM 254 CA SER A 31 4.512 -4.237 -9.664 1.00 0.27 C ATOM 255 C SER A 31 3.623 -3.854 -10.852 1.00 0.25 C ATOM 256 O SER A 31 4.030 -3.963 -12.005 1.00 0.27 O ATOM 257 CB SER A 31 4.371 -5.726 -9.342 1.00 0.35 C ATOM 258 OG SER A 31 5.198 -6.089 -8.246 1.00 1.15 O ATOM 0 H SER A 31 3.746 -3.969 -7.735 1.00 0.21 H new ATOM 0 HA SER A 31 5.548 -4.036 -9.938 1.00 0.27 H new ATOM 0 HB2 SER A 31 3.331 -5.955 -9.109 1.00 0.35 H new ATOM 0 HB3 SER A 31 4.639 -6.318 -10.217 1.00 0.35 H new ATOM 0 HG SER A 31 4.831 -5.711 -7.420 1.00 1.15 H new ATOM 264 N SER A 32 2.415 -3.387 -10.559 1.00 0.27 N ATOM 265 CA SER A 32 1.498 -2.929 -11.591 1.00 0.30 C ATOM 266 C SER A 32 1.971 -1.594 -12.165 1.00 0.28 C ATOM 267 O SER A 32 1.789 -1.317 -13.352 1.00 0.35 O ATOM 268 CB SER A 32 0.082 -2.792 -11.022 1.00 0.40 C ATOM 269 OG SER A 32 -0.844 -2.391 -12.022 1.00 0.99 O ATOM 0 H SER A 32 2.048 -3.316 -9.610 1.00 0.27 H new ATOM 0 HA SER A 32 1.480 -3.666 -12.393 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.233 -3.744 -10.594 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.083 -2.063 -10.212 1.00 0.40 H new ATOM 0 HG SER A 32 -1.738 -2.314 -11.628 1.00 0.99 H new ATOM 275 N ILE A 33 2.594 -0.775 -11.321 1.00 0.24 N ATOM 276 CA ILE A 33 3.115 0.515 -11.753 1.00 0.26 C ATOM 277 C ILE A 33 4.230 0.327 -12.778 1.00 0.26 C ATOM 278 O ILE A 33 4.307 1.056 -13.768 1.00 0.31 O ATOM 279 CB ILE A 33 3.644 1.350 -10.566 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.538 1.574 -9.534 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.181 2.686 -11.056 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.997 2.353 -8.320 1.00 0.34 C ATOM 0 H ILE A 33 2.749 -0.984 -10.335 1.00 0.24 H new ATOM 0 HA ILE A 33 2.286 1.057 -12.209 1.00 0.26 H new ATOM 0 HB ILE A 33 4.456 0.798 -10.092 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.712 2.106 -10.007 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.151 0.607 -9.211 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.550 3.263 -10.208 1.00 0.43 H new ATOM 0 HG22 ILE A 33 4.995 2.515 -11.760 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.383 3.239 -11.551 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.163 2.475 -7.629 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.803 1.812 -7.824 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.357 3.334 -8.632 1.00 0.34 H new ATOM 289 N VAL A 34 5.086 -0.664 -12.549 1.00 0.24 N ATOM 290 CA VAL A 34 6.157 -0.965 -13.491 1.00 0.31 C ATOM 291 C VAL A 34 5.632 -1.817 -14.647 1.00 0.37 C ATOM 292 O VAL A 34 6.230 -1.857 -15.723 1.00 0.47 O ATOM 293 CB VAL A 34 7.358 -1.668 -12.815 1.00 0.34 C ATOM 294 CG1 VAL A 34 7.938 -0.797 -11.712 1.00 0.35 C ATOM 295 CG2 VAL A 34 6.967 -3.032 -12.266 1.00 0.33 C ATOM 0 H VAL A 34 5.060 -1.267 -11.727 1.00 0.24 H new ATOM 0 HA VAL A 34 6.515 -0.011 -13.879 1.00 0.31 H new ATOM 0 HB VAL A 34 8.123 -1.821 -13.577 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.781 -1.309 -11.249 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.276 0.149 -12.135 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.173 -0.605 -10.960 1.00 0.35 H new ATOM 0 HG21 VAL A 34 7.834 -3.498 -11.798 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.175 -2.913 -11.526 1.00 0.33 H new ATOM 0 HG23 VAL A 34 6.611 -3.663 -13.080 1.00 0.33 H new ATOM 299 N GLU A 35 4.501 -2.481 -14.419 1.00 0.35 N ATOM 300 CA GLU A 35 3.839 -3.253 -15.464 1.00 0.46 C ATOM 301 C GLU A 35 3.301 -2.314 -16.534 1.00 0.50 C ATOM 302 O GLU A 35 3.569 -2.489 -17.722 1.00 0.61 O ATOM 303 CB GLU A 35 2.696 -4.084 -14.870 1.00 0.50 C ATOM 304 CG GLU A 35 2.069 -5.058 -15.851 1.00 0.70 C ATOM 305 CD GLU A 35 3.063 -6.070 -16.378 1.00 1.49 C ATOM 306 OE1 GLU A 35 3.453 -6.973 -15.612 1.00 2.22 O ATOM 307 OE2 GLU A 35 3.446 -5.975 -17.561 1.00 2.19 O ATOM 0 H GLU A 35 4.024 -2.499 -13.517 1.00 0.35 H new ATOM 0 HA GLU A 35 4.563 -3.932 -15.914 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.072 -4.640 -14.011 1.00 0.50 H new ATOM 0 HB3 GLU A 35 1.924 -3.410 -14.499 1.00 0.50 H new ATOM 0 HG2 GLU A 35 1.247 -5.581 -15.363 1.00 0.70 H new ATOM 0 HG3 GLU A 35 1.643 -4.503 -16.687 1.00 0.70 H new ATOM 314 N LYS A 36 2.558 -1.301 -16.098 1.00 0.47 N ATOM 315 CA LYS A 36 2.047 -0.281 -17.007 1.00 0.54 C ATOM 316 C LYS A 36 3.168 0.677 -17.403 1.00 0.50 C ATOM 317 O LYS A 36 3.063 1.418 -18.379 1.00 0.60 O ATOM 318 CB LYS A 36 0.886 0.491 -16.363 1.00 0.67 C ATOM 319 CG LYS A 36 1.283 1.280 -15.122 1.00 0.71 C ATOM 320 CD LYS A 36 0.092 1.975 -14.472 1.00 0.97 C ATOM 321 CE LYS A 36 -0.618 1.089 -13.449 1.00 1.42 C ATOM 322 NZ LYS A 36 -1.294 -0.086 -14.063 1.00 2.08 N ATOM 0 H LYS A 36 2.297 -1.165 -15.121 1.00 0.47 H new ATOM 0 HA LYS A 36 1.671 -0.774 -17.903 1.00 0.54 H new ATOM 0 HB2 LYS A 36 0.466 1.177 -17.099 1.00 0.67 H new ATOM 0 HB3 LYS A 36 0.097 -0.213 -16.097 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.747 0.608 -14.400 1.00 0.71 H new ATOM 0 HG3 LYS A 36 2.032 2.024 -15.392 1.00 0.71 H new ATOM 0 HD2 LYS A 36 0.431 2.888 -13.983 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.617 2.272 -15.245 1.00 0.97 H new ATOM 0 HE2 LYS A 36 0.107 0.740 -12.714 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -1.355 1.685 -12.911 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -2.074 -0.397 -13.450 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -1.671 0.178 -14.995 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -0.610 -0.862 -14.173 1.00 2.08 H new ATOM 336 N LYS A 37 4.241 0.625 -16.609 1.00 0.47 N ATOM 337 CA LYS A 37 5.447 1.422 -16.813 1.00 0.54 C ATOM 338 C LYS A 37 5.125 2.911 -16.854 1.00 0.59 C ATOM 339 O LYS A 37 5.515 3.625 -17.776 1.00 0.75 O ATOM 340 CB LYS A 37 6.183 0.985 -18.082 1.00 0.71 C ATOM 341 CG LYS A 37 7.632 1.446 -18.130 1.00 1.18 C ATOM 342 CD LYS A 37 8.354 0.897 -19.348 1.00 1.41 C ATOM 343 CE LYS A 37 9.844 1.195 -19.297 1.00 1.98 C ATOM 344 NZ LYS A 37 10.515 0.505 -18.162 1.00 2.60 N ATOM 0 H LYS A 37 4.294 0.016 -15.793 1.00 0.47 H new ATOM 0 HA LYS A 37 6.107 1.249 -15.963 1.00 0.54 H new ATOM 0 HB2 LYS A 37 6.153 -0.102 -18.154 1.00 0.71 H new ATOM 0 HB3 LYS A 37 5.656 1.377 -18.952 1.00 0.71 H new ATOM 0 HG2 LYS A 37 7.667 2.535 -18.146 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.147 1.123 -17.225 1.00 1.18 H new ATOM 0 HD2 LYS A 37 8.200 -0.180 -19.408 1.00 1.41 H new ATOM 0 HD3 LYS A 37 7.926 1.331 -20.252 1.00 1.41 H new ATOM 0 HE2 LYS A 37 10.307 0.885 -20.234 1.00 1.98 H new ATOM 0 HE3 LYS A 37 9.995 2.271 -19.207 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 11.541 0.478 -18.330 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 10.322 1.021 -17.280 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 10.151 -0.466 -18.082 1.00 2.60 H new ATOM 358 N GLU A 38 4.424 3.375 -15.832 1.00 0.54 N ATOM 359 CA GLU A 38 4.062 4.781 -15.733 1.00 0.68 C ATOM 360 C GLU A 38 5.107 5.505 -14.896 1.00 0.69 C ATOM 361 O GLU A 38 5.178 6.735 -14.869 1.00 1.03 O ATOM 362 CB GLU A 38 2.673 4.925 -15.102 1.00 0.79 C ATOM 363 CG GLU A 38 2.112 6.337 -15.163 1.00 1.36 C ATOM 364 CD GLU A 38 0.749 6.451 -14.514 1.00 1.41 C ATOM 365 OE1 GLU A 38 -0.246 6.009 -15.124 1.00 1.86 O ATOM 366 OE2 GLU A 38 0.665 6.980 -13.383 1.00 2.12 O ATOM 0 H GLU A 38 4.094 2.798 -15.058 1.00 0.54 H new ATOM 0 HA GLU A 38 4.030 5.223 -16.729 1.00 0.68 H new ATOM 0 HB2 GLU A 38 1.983 4.248 -15.607 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.724 4.609 -14.060 1.00 0.79 H new ATOM 0 HG2 GLU A 38 2.803 7.020 -14.670 1.00 1.36 H new ATOM 0 HG3 GLU A 38 2.042 6.651 -16.204 1.00 1.36 H new ATOM 373 N ILE A 39 5.928 4.715 -14.225 1.00 0.42 N ATOM 374 CA ILE A 39 6.966 5.237 -13.351 1.00 0.43 C ATOM 375 C ILE A 39 8.321 5.186 -14.060 1.00 0.48 C ATOM 376 O ILE A 39 8.554 4.324 -14.915 1.00 0.51 O ATOM 377 CB ILE A 39 7.007 4.432 -12.030 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.789 5.187 -10.955 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.606 3.047 -12.253 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.616 4.605 -9.569 1.00 0.47 C ATOM 0 H ILE A 39 5.895 3.697 -14.270 1.00 0.42 H new ATOM 0 HA ILE A 39 6.740 6.276 -13.111 1.00 0.43 H new ATOM 0 HB ILE A 39 5.981 4.308 -11.683 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.848 5.181 -11.214 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.468 6.229 -10.947 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.623 2.502 -11.309 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.001 2.501 -12.976 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.623 3.147 -12.633 1.00 0.36 H new ATOM 0 HD11 ILE A 39 8.197 5.188 -8.854 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.563 4.635 -9.290 1.00 0.47 H new ATOM 0 HD13 ILE A 39 7.963 3.572 -9.562 1.00 0.47 H new ATOM 387 N SER A 40 9.197 6.121 -13.727 1.00 0.54 N ATOM 388 CA SER A 40 10.500 6.208 -14.368 1.00 0.62 C ATOM 389 C SER A 40 11.488 5.246 -13.703 1.00 0.53 C ATOM 390 O SER A 40 11.199 4.684 -12.644 1.00 0.48 O ATOM 391 CB SER A 40 11.015 7.652 -14.320 1.00 0.76 C ATOM 392 OG SER A 40 12.203 7.819 -15.080 1.00 1.82 O ATOM 0 H SER A 40 9.029 6.832 -13.015 1.00 0.54 H new ATOM 0 HA SER A 40 10.401 5.916 -15.413 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.245 8.324 -14.699 1.00 0.76 H new ATOM 0 HB3 SER A 40 11.204 7.935 -13.285 1.00 0.76 H new ATOM 0 HG SER A 40 12.188 7.211 -15.849 1.00 1.82 H new ATOM 398 N GLU A 41 12.643 5.068 -14.336 1.00 0.59 N ATOM 399 CA GLU A 41 13.630 4.067 -13.938 1.00 0.60 C ATOM 400 C GLU A 41 13.974 4.139 -12.451 1.00 0.49 C ATOM 401 O GLU A 41 13.900 3.130 -11.747 1.00 0.46 O ATOM 402 CB GLU A 41 14.907 4.218 -14.772 1.00 0.78 C ATOM 403 CG GLU A 41 14.677 4.207 -16.279 1.00 1.07 C ATOM 404 CD GLU A 41 14.308 5.571 -16.831 1.00 1.43 C ATOM 405 OE1 GLU A 41 13.116 5.943 -16.769 1.00 1.99 O ATOM 406 OE2 GLU A 41 15.209 6.279 -17.324 1.00 2.19 O ATOM 0 H GLU A 41 12.924 5.619 -15.147 1.00 0.59 H new ATOM 0 HA GLU A 41 13.180 3.091 -14.122 1.00 0.60 H new ATOM 0 HB2 GLU A 41 15.398 5.152 -14.498 1.00 0.78 H new ATOM 0 HB3 GLU A 41 15.592 3.410 -14.515 1.00 0.78 H new ATOM 0 HG2 GLU A 41 15.579 3.852 -16.776 1.00 1.07 H new ATOM 0 HG3 GLU A 41 13.883 3.498 -16.515 1.00 1.07 H new ATOM 413 N ASP A 42 14.338 5.327 -11.971 1.00 0.52 N ATOM 414 CA ASP A 42 14.727 5.496 -10.570 1.00 0.52 C ATOM 415 C ASP A 42 13.599 5.083 -9.637 1.00 0.43 C ATOM 416 O ASP A 42 13.820 4.371 -8.656 1.00 0.47 O ATOM 417 CB ASP A 42 15.127 6.943 -10.277 1.00 0.62 C ATOM 418 CG ASP A 42 15.476 7.154 -8.812 1.00 1.50 C ATOM 419 OD1 ASP A 42 16.573 6.736 -8.389 1.00 2.30 O ATOM 420 OD2 ASP A 42 14.649 7.731 -8.072 1.00 2.21 O ATOM 0 H ASP A 42 14.372 6.182 -12.526 1.00 0.52 H new ATOM 0 HA ASP A 42 15.588 4.851 -10.394 1.00 0.52 H new ATOM 0 HB2 ASP A 42 15.982 7.215 -10.896 1.00 0.62 H new ATOM 0 HB3 ASP A 42 14.309 7.608 -10.554 1.00 0.62 H new ATOM 425 N GLY A 43 12.389 5.527 -9.954 1.00 0.39 N ATOM 426 CA GLY A 43 11.234 5.164 -9.161 1.00 0.37 C ATOM 427 C GLY A 43 10.982 3.670 -9.178 1.00 0.34 C ATOM 428 O GLY A 43 10.655 3.078 -8.149 1.00 0.35 O ATOM 0 H GLY A 43 12.188 6.134 -10.749 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.381 5.495 -8.133 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.355 5.685 -9.541 1.00 0.37 H new ATOM 432 N ALA A 44 11.147 3.063 -10.346 1.00 0.33 N ATOM 433 CA ALA A 44 10.969 1.626 -10.499 1.00 0.33 C ATOM 434 C ALA A 44 11.975 0.866 -9.642 1.00 0.32 C ATOM 435 O ALA A 44 11.613 -0.058 -8.916 1.00 0.31 O ATOM 436 CB ALA A 44 11.102 1.229 -11.962 1.00 0.38 C ATOM 0 H ALA A 44 11.405 3.547 -11.206 1.00 0.33 H new ATOM 0 HA ALA A 44 9.967 1.364 -10.160 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.967 0.152 -12.060 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.343 1.745 -12.550 1.00 0.38 H new ATOM 0 HB3 ALA A 44 12.092 1.505 -12.325 1.00 0.38 H new ATOM 442 N ASP A 45 13.237 1.282 -9.711 1.00 0.36 N ATOM 443 CA ASP A 45 14.299 0.654 -8.927 1.00 0.38 C ATOM 444 C ASP A 45 14.040 0.825 -7.435 1.00 0.36 C ATOM 445 O ASP A 45 14.311 -0.076 -6.636 1.00 0.37 O ATOM 446 CB ASP A 45 15.662 1.246 -9.290 1.00 0.48 C ATOM 447 CG ASP A 45 16.795 0.586 -8.531 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.223 -0.516 -8.931 1.00 1.81 O ATOM 449 OD2 ASP A 45 17.264 1.162 -7.526 1.00 1.84 O ATOM 0 H ASP A 45 13.550 2.052 -10.302 1.00 0.36 H new ATOM 0 HA ASP A 45 14.305 -0.410 -9.162 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.831 1.134 -10.361 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.660 2.315 -9.078 1.00 0.48 H new ATOM 454 N SER A 46 13.503 1.984 -7.071 1.00 0.38 N ATOM 455 CA SER A 46 13.137 2.264 -5.691 1.00 0.41 C ATOM 456 C SER A 46 12.059 1.289 -5.220 1.00 0.36 C ATOM 457 O SER A 46 12.070 0.837 -4.076 1.00 0.39 O ATOM 458 CB SER A 46 12.646 3.706 -5.556 1.00 0.51 C ATOM 459 OG SER A 46 13.635 4.625 -5.988 1.00 0.98 O ATOM 0 H SER A 46 13.311 2.748 -7.719 1.00 0.38 H new ATOM 0 HA SER A 46 14.019 2.136 -5.063 1.00 0.41 H new ATOM 0 HB2 SER A 46 11.738 3.841 -6.144 1.00 0.51 H new ATOM 0 HB3 SER A 46 12.386 3.909 -4.517 1.00 0.51 H new ATOM 0 HG SER A 46 13.614 4.692 -6.965 1.00 0.98 H new ATOM 465 N LEU A 47 11.140 0.951 -6.117 1.00 0.32 N ATOM 466 CA LEU A 47 10.098 -0.017 -5.808 1.00 0.30 C ATOM 467 C LEU A 47 10.675 -1.425 -5.743 1.00 0.27 C ATOM 468 O LEU A 47 10.159 -2.279 -5.029 1.00 0.29 O ATOM 469 CB LEU A 47 8.973 0.044 -6.846 1.00 0.30 C ATOM 470 CG LEU A 47 8.162 1.343 -6.856 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.065 1.283 -7.907 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.568 1.608 -5.481 1.00 0.41 C ATOM 0 H LEU A 47 11.096 1.333 -7.062 1.00 0.32 H new ATOM 0 HA LEU A 47 9.683 0.236 -4.832 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.406 -0.103 -7.836 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.292 -0.789 -6.669 1.00 0.30 H new ATOM 0 HG LEU A 47 8.833 2.164 -7.108 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.501 2.216 -7.898 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.511 1.139 -8.891 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.395 0.452 -7.687 1.00 0.39 H new ATOM 0 HD21 LEU A 47 6.995 2.535 -5.505 1.00 0.41 H new ATOM 0 HD22 LEU A 47 6.913 0.783 -5.203 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.371 1.697 -4.749 1.00 0.41 H new ATOM 484 N ASN A 48 11.752 -1.657 -6.480 1.00 0.26 N ATOM 485 CA ASN A 48 12.401 -2.965 -6.502 1.00 0.26 C ATOM 486 C ASN A 48 13.063 -3.268 -5.161 1.00 0.28 C ATOM 487 O ASN A 48 12.864 -4.344 -4.596 1.00 0.32 O ATOM 488 CB ASN A 48 13.435 -3.042 -7.629 1.00 0.28 C ATOM 489 CG ASN A 48 12.814 -3.001 -9.014 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.403 -2.462 -9.950 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.632 -3.581 -9.167 1.00 0.40 N ATOM 0 H ASN A 48 12.197 -0.956 -7.073 1.00 0.26 H new ATOM 0 HA ASN A 48 11.631 -3.714 -6.685 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.136 -2.214 -7.527 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.011 -3.961 -7.523 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.183 -3.590 -10.083 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.172 -4.019 -8.369 1.00 0.40 H new ATOM 498 N VAL A 49 13.840 -2.320 -4.643 1.00 0.27 N ATOM 499 CA VAL A 49 14.476 -2.506 -3.342 1.00 0.29 C ATOM 500 C VAL A 49 13.419 -2.539 -2.242 1.00 0.30 C ATOM 501 O VAL A 49 13.505 -3.334 -1.305 1.00 0.32 O ATOM 502 CB VAL A 49 15.541 -1.418 -3.037 1.00 0.32 C ATOM 503 CG1 VAL A 49 14.950 -0.019 -3.089 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.194 -1.665 -1.683 1.00 0.36 C ATOM 0 H VAL A 49 14.042 -1.429 -5.096 1.00 0.27 H new ATOM 0 HA VAL A 49 15.000 -3.461 -3.373 1.00 0.29 H new ATOM 0 HB VAL A 49 16.303 -1.486 -3.813 1.00 0.32 H new ATOM 0 HG11 VAL A 49 15.728 0.713 -2.870 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.545 0.168 -4.084 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.153 0.067 -2.351 1.00 0.34 H new ATOM 0 HG21 VAL A 49 16.937 -0.891 -1.491 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.434 -1.641 -0.902 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.680 -2.641 -1.686 1.00 0.36 H new ATOM 508 N ALA A 50 12.399 -1.697 -2.383 1.00 0.30 N ATOM 509 CA ALA A 50 11.295 -1.672 -1.436 1.00 0.34 C ATOM 510 C ALA A 50 10.538 -2.992 -1.463 1.00 0.34 C ATOM 511 O ALA A 50 10.030 -3.444 -0.442 1.00 0.37 O ATOM 512 CB ALA A 50 10.355 -0.516 -1.740 1.00 0.37 C ATOM 0 H ALA A 50 12.317 -1.024 -3.145 1.00 0.30 H new ATOM 0 HA ALA A 50 11.705 -1.529 -0.436 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.536 -0.514 -1.021 1.00 0.37 H new ATOM 0 HB2 ALA A 50 10.901 0.425 -1.670 1.00 0.37 H new ATOM 0 HB3 ALA A 50 9.953 -0.629 -2.747 1.00 0.37 H new ATOM 518 N MET A 51 10.496 -3.613 -2.635 1.00 0.34 N ATOM 519 CA MET A 51 9.791 -4.874 -2.831 1.00 0.39 C ATOM 520 C MET A 51 10.324 -5.941 -1.883 1.00 0.31 C ATOM 521 O MET A 51 9.557 -6.614 -1.192 1.00 0.30 O ATOM 522 CB MET A 51 9.956 -5.333 -4.280 1.00 0.52 C ATOM 523 CG MET A 51 8.921 -6.346 -4.732 1.00 0.62 C ATOM 524 SD MET A 51 7.236 -5.734 -4.558 1.00 0.65 S ATOM 525 CE MET A 51 7.403 -4.062 -5.182 1.00 0.41 C ATOM 0 H MET A 51 10.949 -3.257 -3.476 1.00 0.34 H new ATOM 0 HA MET A 51 8.733 -4.722 -2.616 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.905 -4.462 -4.933 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.949 -5.766 -4.402 1.00 0.52 H new ATOM 0 HG2 MET A 51 9.104 -6.607 -5.774 1.00 0.62 H new ATOM 0 HG3 MET A 51 9.034 -7.261 -4.150 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.457 -3.740 -5.617 1.00 0.41 H new ATOM 0 HE2 MET A 51 7.673 -3.394 -4.364 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.181 -4.034 -5.945 1.00 0.41 H new ATOM 535 N ASP A 52 11.644 -6.079 -1.847 1.00 0.31 N ATOM 536 CA ASP A 52 12.291 -7.034 -0.953 1.00 0.32 C ATOM 537 C ASP A 52 12.052 -6.649 0.500 1.00 0.28 C ATOM 538 O ASP A 52 11.787 -7.503 1.347 1.00 0.30 O ATOM 539 CB ASP A 52 13.792 -7.100 -1.237 1.00 0.42 C ATOM 540 CG ASP A 52 14.527 -8.009 -0.270 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.475 -9.244 -0.450 1.00 1.84 O ATOM 542 OD2 ASP A 52 15.166 -7.494 0.668 1.00 1.99 O ATOM 0 H ASP A 52 12.289 -5.542 -2.427 1.00 0.31 H new ATOM 0 HA ASP A 52 11.857 -8.018 -1.131 1.00 0.32 H new ATOM 0 HB2 ASP A 52 13.951 -7.454 -2.256 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.214 -6.097 -1.179 1.00 0.42 H new ATOM 547 N CYS A 53 12.125 -5.352 0.765 1.00 0.27 N ATOM 548 CA CYS A 53 11.924 -4.827 2.107 1.00 0.27 C ATOM 549 C CYS A 53 10.527 -5.161 2.624 1.00 0.29 C ATOM 550 O CYS A 53 10.379 -5.679 3.726 1.00 0.36 O ATOM 551 CB CYS A 53 12.143 -3.314 2.111 1.00 0.36 C ATOM 552 SG CYS A 53 13.791 -2.815 1.560 1.00 1.05 S ATOM 0 H CYS A 53 12.323 -4.640 0.062 1.00 0.27 H new ATOM 0 HA CYS A 53 12.649 -5.296 2.772 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.398 -2.847 1.467 1.00 0.36 H new ATOM 0 HB3 CYS A 53 11.977 -2.935 3.119 1.00 0.36 H new ATOM 0 HG CYS A 53 13.844 -2.851 0.262 1.00 1.05 H new ATOM 558 N ILE A 54 9.508 -4.878 1.815 1.00 0.26 N ATOM 559 CA ILE A 54 8.125 -5.161 2.190 1.00 0.29 C ATOM 560 C ILE A 54 7.929 -6.657 2.417 1.00 0.30 C ATOM 561 O ILE A 54 7.355 -7.074 3.425 1.00 0.33 O ATOM 562 CB ILE A 54 7.131 -4.682 1.105 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.326 -3.191 0.815 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.694 -4.946 1.544 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.593 -2.711 -0.422 1.00 0.34 C ATOM 0 H ILE A 54 9.615 -4.452 0.894 1.00 0.26 H new ATOM 0 HA ILE A 54 7.924 -4.617 3.113 1.00 0.29 H new ATOM 0 HB ILE A 54 7.328 -5.243 0.191 1.00 0.29 H new ATOM 0 HG12 ILE A 54 6.985 -2.615 1.675 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.391 -2.989 0.697 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.008 -4.603 0.769 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.554 -6.015 1.706 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.492 -4.409 2.471 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.778 -1.646 -0.564 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.950 -3.261 -1.293 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.523 -2.881 -0.300 1.00 0.34 H new ATOM 572 N SER A 55 8.437 -7.457 1.486 1.00 0.30 N ATOM 573 CA SER A 55 8.296 -8.905 1.552 1.00 0.36 C ATOM 574 C SER A 55 8.870 -9.461 2.856 1.00 0.38 C ATOM 575 O SER A 55 8.181 -10.167 3.596 1.00 0.41 O ATOM 576 CB SER A 55 8.986 -9.553 0.350 1.00 0.40 C ATOM 577 OG SER A 55 8.459 -9.052 -0.870 1.00 0.80 O ATOM 0 H SER A 55 8.953 -7.123 0.672 1.00 0.30 H new ATOM 0 HA SER A 55 7.233 -9.144 1.527 1.00 0.36 H new ATOM 0 HB2 SER A 55 10.058 -9.360 0.394 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.855 -10.634 0.390 1.00 0.40 H new ATOM 0 HG SER A 55 8.970 -8.264 -1.148 1.00 0.80 H new ATOM 583 N GLU A 56 10.116 -9.114 3.153 1.00 0.39 N ATOM 584 CA GLU A 56 10.787 -9.632 4.338 1.00 0.48 C ATOM 585 C GLU A 56 10.221 -9.002 5.615 1.00 0.43 C ATOM 586 O GLU A 56 10.234 -9.619 6.680 1.00 0.46 O ATOM 587 CB GLU A 56 12.294 -9.384 4.246 1.00 0.60 C ATOM 588 CG GLU A 56 13.095 -10.072 5.340 1.00 0.83 C ATOM 589 CD GLU A 56 12.974 -11.582 5.292 1.00 1.81 C ATOM 590 OE1 GLU A 56 13.775 -12.226 4.577 1.00 2.66 O ATOM 591 OE2 GLU A 56 12.086 -12.137 5.971 1.00 2.38 O ATOM 0 H GLU A 56 10.681 -8.478 2.591 1.00 0.39 H new ATOM 0 HA GLU A 56 10.608 -10.706 4.384 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.651 -9.728 3.275 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.480 -8.311 4.292 1.00 0.60 H new ATOM 0 HG2 GLU A 56 14.144 -9.793 5.247 1.00 0.83 H new ATOM 0 HG3 GLU A 56 12.755 -9.715 6.312 1.00 0.83 H new ATOM 598 N ALA A 57 9.722 -7.776 5.503 1.00 0.39 N ATOM 599 CA ALA A 57 9.158 -7.075 6.651 1.00 0.39 C ATOM 600 C ALA A 57 7.894 -7.763 7.151 1.00 0.33 C ATOM 601 O ALA A 57 7.736 -7.998 8.349 1.00 0.39 O ATOM 602 CB ALA A 57 8.859 -5.626 6.300 1.00 0.42 C ATOM 0 H ALA A 57 9.696 -7.248 4.631 1.00 0.39 H new ATOM 0 HA ALA A 57 9.899 -7.099 7.450 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.439 -5.120 7.169 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.780 -5.127 6.000 1.00 0.42 H new ATOM 0 HB3 ALA A 57 8.143 -5.591 5.479 1.00 0.42 H new ATOM 608 N PHE A 58 7.002 -8.087 6.226 1.00 0.29 N ATOM 609 CA PHE A 58 5.741 -8.723 6.580 1.00 0.28 C ATOM 610 C PHE A 58 5.912 -10.230 6.732 1.00 0.30 C ATOM 611 O PHE A 58 5.107 -10.896 7.388 1.00 0.38 O ATOM 612 CB PHE A 58 4.674 -8.411 5.533 1.00 0.26 C ATOM 613 CG PHE A 58 4.220 -6.978 5.535 1.00 0.25 C ATOM 614 CD1 PHE A 58 5.030 -5.974 5.030 1.00 1.18 C ATOM 615 CD2 PHE A 58 2.975 -6.639 6.030 1.00 1.24 C ATOM 616 CE1 PHE A 58 4.607 -4.661 5.021 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.545 -5.325 6.025 1.00 1.22 C ATOM 618 CZ PHE A 58 3.361 -4.336 5.519 1.00 0.28 C ATOM 0 H PHE A 58 7.127 -7.921 5.227 1.00 0.29 H new ATOM 0 HA PHE A 58 5.417 -8.321 7.540 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.065 -8.657 4.546 1.00 0.26 H new ATOM 0 HB3 PHE A 58 3.812 -9.055 5.704 1.00 0.26 H new ATOM 0 HD1 PHE A 58 6.005 -6.222 4.638 1.00 1.18 H new ATOM 0 HD2 PHE A 58 2.330 -7.410 6.426 1.00 1.24 H new ATOM 0 HE1 PHE A 58 5.250 -3.888 4.625 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.571 -5.074 6.417 1.00 1.22 H new ATOM 0 HZ PHE A 58 3.026 -3.309 5.512 1.00 0.28 H new ATOM 628 N GLY A 59 6.962 -10.761 6.120 1.00 0.34 N ATOM 629 CA GLY A 59 7.295 -12.161 6.291 1.00 0.39 C ATOM 630 C GLY A 59 6.696 -13.051 5.222 1.00 0.38 C ATOM 631 O GLY A 59 6.201 -14.139 5.522 1.00 0.43 O ATOM 0 H GLY A 59 7.591 -10.244 5.506 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.379 -12.274 6.283 1.00 0.39 H new ATOM 0 HA3 GLY A 59 6.947 -12.494 7.269 1.00 0.39 H new ATOM 635 N PHE A 60 6.740 -12.603 3.977 1.00 0.35 N ATOM 636 CA PHE A 60 6.226 -13.398 2.871 1.00 0.39 C ATOM 637 C PHE A 60 7.176 -13.320 1.685 1.00 0.40 C ATOM 638 O PHE A 60 7.944 -12.366 1.556 1.00 0.42 O ATOM 639 CB PHE A 60 4.816 -12.934 2.467 1.00 0.40 C ATOM 640 CG PHE A 60 4.768 -11.615 1.742 1.00 0.31 C ATOM 641 CD1 PHE A 60 4.894 -10.422 2.431 1.00 1.22 C ATOM 642 CD2 PHE A 60 4.585 -11.573 0.368 1.00 1.19 C ATOM 643 CE1 PHE A 60 4.840 -9.212 1.766 1.00 1.20 C ATOM 644 CE2 PHE A 60 4.531 -10.367 -0.302 1.00 1.22 C ATOM 645 CZ PHE A 60 4.659 -9.185 0.397 1.00 0.33 C ATOM 0 H PHE A 60 7.124 -11.698 3.707 1.00 0.35 H new ATOM 0 HA PHE A 60 6.156 -14.436 3.197 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.365 -13.698 1.833 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.202 -12.862 3.364 1.00 0.40 H new ATOM 0 HD1 PHE A 60 5.036 -10.437 3.501 1.00 1.22 H new ATOM 0 HD2 PHE A 60 4.483 -12.495 -0.185 1.00 1.19 H new ATOM 0 HE1 PHE A 60 4.939 -8.288 2.316 1.00 1.20 H new ATOM 0 HE2 PHE A 60 4.389 -10.349 -1.372 1.00 1.22 H new ATOM 0 HZ PHE A 60 4.618 -8.240 -0.125 1.00 0.33 H new ATOM 655 N GLU A 61 7.137 -14.334 0.838 1.00 0.48 N ATOM 656 CA GLU A 61 7.990 -14.378 -0.339 1.00 0.55 C ATOM 657 C GLU A 61 7.326 -13.653 -1.501 1.00 0.50 C ATOM 658 O GLU A 61 6.105 -13.687 -1.656 1.00 0.48 O ATOM 659 CB GLU A 61 8.294 -15.828 -0.724 1.00 0.70 C ATOM 660 CG GLU A 61 9.033 -16.596 0.360 1.00 0.81 C ATOM 661 CD GLU A 61 9.453 -17.980 -0.085 1.00 1.48 C ATOM 662 OE1 GLU A 61 10.568 -18.118 -0.627 1.00 2.05 O ATOM 663 OE2 GLU A 61 8.681 -18.937 0.120 1.00 2.33 O ATOM 0 H GLU A 61 6.522 -15.141 0.943 1.00 0.48 H new ATOM 0 HA GLU A 61 8.929 -13.876 -0.105 1.00 0.55 H new ATOM 0 HB2 GLU A 61 7.359 -16.340 -0.949 1.00 0.70 H new ATOM 0 HB3 GLU A 61 8.890 -15.837 -1.637 1.00 0.70 H new ATOM 0 HG2 GLU A 61 9.916 -16.032 0.661 1.00 0.81 H new ATOM 0 HG3 GLU A 61 8.394 -16.680 1.239 1.00 0.81 H new ATOM 670 N ARG A 62 8.150 -13.008 -2.318 1.00 0.54 N ATOM 671 CA ARG A 62 7.675 -12.186 -3.427 1.00 0.53 C ATOM 672 C ARG A 62 6.971 -13.040 -4.475 1.00 0.53 C ATOM 673 O ARG A 62 6.170 -12.540 -5.256 1.00 0.64 O ATOM 674 CB ARG A 62 8.854 -11.445 -4.067 1.00 0.63 C ATOM 675 CG ARG A 62 8.442 -10.348 -5.037 1.00 1.40 C ATOM 676 CD ARG A 62 9.631 -9.821 -5.831 1.00 1.46 C ATOM 677 NE ARG A 62 10.739 -9.401 -4.970 1.00 2.25 N ATOM 678 CZ ARG A 62 11.671 -8.514 -5.327 1.00 2.60 C ATOM 679 NH1 ARG A 62 11.601 -7.897 -6.502 1.00 2.13 N ATOM 680 NH2 ARG A 62 12.665 -8.230 -4.498 1.00 3.67 N ATOM 0 H ARG A 62 9.166 -13.039 -2.231 1.00 0.54 H new ATOM 0 HA ARG A 62 6.959 -11.462 -3.036 1.00 0.53 H new ATOM 0 HB2 ARG A 62 9.466 -11.007 -3.278 1.00 0.63 H new ATOM 0 HB3 ARG A 62 9.480 -12.165 -4.594 1.00 0.63 H new ATOM 0 HG2 ARG A 62 7.688 -10.734 -5.724 1.00 1.40 H new ATOM 0 HG3 ARG A 62 7.981 -9.529 -4.485 1.00 1.40 H new ATOM 0 HD2 ARG A 62 9.980 -10.596 -6.514 1.00 1.46 H new ATOM 0 HD3 ARG A 62 9.310 -8.977 -6.442 1.00 1.46 H new ATOM 0 HE ARG A 62 10.803 -9.812 -4.039 1.00 2.25 H new ATOM 0 HH11 ARG A 62 10.831 -8.100 -7.139 1.00 2.13 H new ATOM 0 HH12 ARG A 62 12.317 -7.221 -6.766 1.00 2.13 H new ATOM 0 HH21 ARG A 62 12.717 -8.689 -3.589 1.00 3.67 H new ATOM 0 HH22 ARG A 62 13.378 -7.553 -4.769 1.00 3.67 H new ATOM 694 N GLU A 63 7.269 -14.331 -4.483 1.00 0.58 N ATOM 695 CA GLU A 63 6.644 -15.249 -5.426 1.00 0.64 C ATOM 696 C GLU A 63 5.331 -15.796 -4.870 1.00 0.63 C ATOM 697 O GLU A 63 4.650 -16.591 -5.522 1.00 0.75 O ATOM 698 CB GLU A 63 7.615 -16.385 -5.779 1.00 0.74 C ATOM 699 CG GLU A 63 8.101 -17.204 -4.586 1.00 1.70 C ATOM 700 CD GLU A 63 7.156 -18.329 -4.215 1.00 2.53 C ATOM 701 OE1 GLU A 63 7.113 -19.339 -4.950 1.00 3.20 O ATOM 702 OE2 GLU A 63 6.453 -18.213 -3.193 1.00 3.12 O ATOM 0 H GLU A 63 7.938 -14.767 -3.849 1.00 0.58 H new ATOM 0 HA GLU A 63 6.408 -14.702 -6.339 1.00 0.64 H new ATOM 0 HB2 GLU A 63 7.127 -17.055 -6.487 1.00 0.74 H new ATOM 0 HB3 GLU A 63 8.481 -15.960 -6.287 1.00 0.74 H new ATOM 0 HG2 GLU A 63 9.082 -17.621 -4.814 1.00 1.70 H new ATOM 0 HG3 GLU A 63 8.227 -16.545 -3.727 1.00 1.70 H new ATOM 709 N ALA A 64 4.974 -15.354 -3.670 1.00 0.55 N ATOM 710 CA ALA A 64 3.763 -15.821 -3.010 1.00 0.60 C ATOM 711 C ALA A 64 2.674 -14.756 -3.026 1.00 0.54 C ATOM 712 O ALA A 64 1.576 -14.977 -2.516 1.00 0.57 O ATOM 713 CB ALA A 64 4.071 -16.236 -1.580 1.00 0.67 C ATOM 0 H ALA A 64 5.508 -14.671 -3.134 1.00 0.55 H new ATOM 0 HA ALA A 64 3.393 -16.685 -3.562 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.158 -16.583 -1.097 1.00 0.67 H new ATOM 0 HB2 ALA A 64 4.807 -17.040 -1.585 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.470 -15.383 -1.031 1.00 0.67 H new ATOM 719 N VAL A 65 2.974 -13.605 -3.621 1.00 0.51 N ATOM 720 CA VAL A 65 2.015 -12.506 -3.683 1.00 0.47 C ATOM 721 C VAL A 65 0.744 -12.919 -4.428 1.00 0.53 C ATOM 722 O VAL A 65 -0.366 -12.620 -3.984 1.00 0.54 O ATOM 723 CB VAL A 65 2.631 -11.239 -4.329 1.00 0.47 C ATOM 724 CG1 VAL A 65 3.301 -11.554 -5.654 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.581 -10.157 -4.520 1.00 0.50 C ATOM 0 H VAL A 65 3.871 -13.409 -4.066 1.00 0.51 H new ATOM 0 HA VAL A 65 1.748 -12.261 -2.655 1.00 0.47 H new ATOM 0 HB VAL A 65 3.394 -10.870 -3.643 1.00 0.47 H new ATOM 0 HG11 VAL A 65 3.721 -10.641 -6.076 1.00 0.51 H new ATOM 0 HG12 VAL A 65 4.098 -12.280 -5.495 1.00 0.51 H new ATOM 0 HG13 VAL A 65 2.566 -11.968 -6.344 1.00 0.51 H new ATOM 0 HG21 VAL A 65 2.041 -9.280 -4.975 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.789 -10.529 -5.170 1.00 0.50 H new ATOM 0 HG23 VAL A 65 1.159 -9.885 -3.553 1.00 0.50 H new ATOM 729 N SER A 66 0.905 -13.635 -5.536 1.00 0.63 N ATOM 730 CA SER A 66 -0.236 -14.110 -6.305 1.00 0.75 C ATOM 731 C SER A 66 -1.036 -15.121 -5.485 1.00 0.76 C ATOM 732 O SER A 66 -2.254 -15.237 -5.632 1.00 0.84 O ATOM 733 CB SER A 66 0.234 -14.734 -7.623 1.00 0.89 C ATOM 734 OG SER A 66 -0.863 -15.096 -8.449 1.00 1.63 O ATOM 0 H SER A 66 1.813 -13.898 -5.920 1.00 0.63 H new ATOM 0 HA SER A 66 -0.882 -13.264 -6.538 1.00 0.75 H new ATOM 0 HB2 SER A 66 0.873 -14.028 -8.154 1.00 0.89 H new ATOM 0 HB3 SER A 66 0.839 -15.616 -7.414 1.00 0.89 H new ATOM 0 HG SER A 66 -0.529 -15.490 -9.282 1.00 1.63 H new ATOM 740 N GLY A 67 -0.339 -15.833 -4.608 1.00 0.73 N ATOM 741 CA GLY A 67 -0.989 -16.792 -3.743 1.00 0.75 C ATOM 742 C GLY A 67 -1.830 -16.119 -2.682 1.00 0.70 C ATOM 743 O GLY A 67 -2.980 -16.490 -2.476 1.00 0.76 O ATOM 0 H GLY A 67 0.671 -15.761 -4.482 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.619 -17.451 -4.341 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.236 -17.418 -3.265 1.00 0.75 H new ATOM 747 N ILE A 68 -1.256 -15.120 -2.022 1.00 0.63 N ATOM 748 CA ILE A 68 -1.960 -14.373 -0.982 1.00 0.59 C ATOM 749 C ILE A 68 -3.198 -13.678 -1.552 1.00 0.63 C ATOM 750 O ILE A 68 -4.272 -13.696 -0.945 1.00 0.71 O ATOM 751 CB ILE A 68 -1.036 -13.325 -0.322 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.199 -14.008 0.275 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.784 -12.544 0.752 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.187 -13.045 0.900 1.00 0.45 C ATOM 0 H ILE A 68 -0.300 -14.806 -2.189 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.272 -15.090 -0.223 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.711 -12.622 -1.089 1.00 0.51 H new ATOM 0 HG12 ILE A 68 -0.123 -14.725 1.030 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.703 -14.575 -0.508 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -1.114 -11.812 1.203 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.634 -12.030 0.303 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -2.140 -13.231 1.520 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.034 -13.602 1.301 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.539 -12.343 0.144 1.00 0.45 H new ATOM 0 HD13 ILE A 68 0.700 -12.496 1.706 1.00 0.45 H new ATOM 761 N LEU A 69 -3.051 -13.106 -2.741 1.00 0.62 N ATOM 762 CA LEU A 69 -4.150 -12.398 -3.397 1.00 0.67 C ATOM 763 C LEU A 69 -5.183 -13.375 -3.952 1.00 0.85 C ATOM 764 O LEU A 69 -6.209 -12.974 -4.502 1.00 1.14 O ATOM 765 CB LEU A 69 -3.606 -11.503 -4.508 1.00 0.62 C ATOM 766 CG LEU A 69 -2.608 -10.445 -4.038 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.112 -9.618 -5.210 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.237 -9.557 -2.975 1.00 0.45 C ATOM 0 H LEU A 69 -2.181 -13.117 -3.273 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.648 -11.776 -2.654 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.125 -12.129 -5.259 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.442 -11.004 -4.997 1.00 0.62 H new ATOM 0 HG LEU A 69 -1.750 -10.951 -3.596 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.403 -8.871 -4.854 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -1.621 -10.269 -5.933 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -2.956 -9.119 -5.686 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -2.513 -8.809 -2.651 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.113 -9.058 -3.389 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.536 -10.166 -2.122 1.00 0.45 H new ATOM 780 N GLY A 70 -4.895 -14.656 -3.814 1.00 0.81 N ATOM 781 CA GLY A 70 -5.845 -15.686 -4.166 1.00 0.94 C ATOM 782 C GLY A 70 -6.053 -16.629 -3.006 1.00 0.99 C ATOM 783 O GLY A 70 -6.421 -17.789 -3.185 1.00 1.25 O ATOM 0 H GLY A 70 -4.005 -15.006 -3.458 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.795 -15.232 -4.449 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -5.486 -16.240 -5.033 1.00 0.94 H new ATOM 787 N LYS A 71 -5.801 -16.118 -1.812 1.00 0.87 N ATOM 788 CA LYS A 71 -5.862 -16.918 -0.602 1.00 0.98 C ATOM 789 C LYS A 71 -7.071 -16.523 0.236 1.00 0.99 C ATOM 790 O LYS A 71 -7.991 -17.316 0.428 1.00 1.26 O ATOM 791 CB LYS A 71 -4.571 -16.725 0.194 1.00 1.11 C ATOM 792 CG LYS A 71 -4.425 -17.633 1.400 1.00 1.69 C ATOM 793 CD LYS A 71 -3.064 -17.440 2.044 1.00 2.11 C ATOM 794 CE LYS A 71 -2.890 -18.307 3.276 1.00 2.60 C ATOM 795 NZ LYS A 71 -1.562 -18.096 3.908 1.00 3.16 N ATOM 0 H LYS A 71 -5.550 -15.142 -1.656 1.00 0.87 H new ATOM 0 HA LYS A 71 -5.966 -17.970 -0.869 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -3.723 -16.889 -0.471 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -4.519 -15.689 0.529 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -5.211 -17.417 2.124 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -4.547 -18.673 1.097 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -2.284 -17.677 1.321 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -2.938 -16.392 2.317 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -3.677 -18.080 3.996 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -3.001 -19.356 3.002 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -1.476 -18.704 4.747 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -0.812 -18.336 3.229 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -1.467 -17.100 4.191 1.00 3.16 H new ATOM 809 N SER A 72 -7.074 -15.290 0.724 1.00 0.92 N ATOM 810 CA SER A 72 -8.181 -14.799 1.528 1.00 1.08 C ATOM 811 C SER A 72 -9.274 -14.212 0.640 1.00 1.04 C ATOM 812 O SER A 72 -10.329 -14.819 0.452 1.00 1.21 O ATOM 813 CB SER A 72 -7.687 -13.747 2.520 1.00 1.30 C ATOM 814 OG SER A 72 -6.608 -14.242 3.291 1.00 2.02 O ATOM 0 H SER A 72 -6.324 -14.614 0.577 1.00 0.92 H new ATOM 0 HA SER A 72 -8.601 -15.638 2.082 1.00 1.08 H new ATOM 0 HB2 SER A 72 -7.373 -12.853 1.981 1.00 1.30 H new ATOM 0 HB3 SER A 72 -8.504 -13.452 3.179 1.00 1.30 H new ATOM 0 HG SER A 72 -5.761 -13.999 2.862 1.00 2.02 H new ATOM 820 N GLU A 73 -9.005 -13.039 0.082 1.00 1.13 N ATOM 821 CA GLU A 73 -9.958 -12.352 -0.770 1.00 1.31 C ATOM 822 C GLU A 73 -9.228 -11.319 -1.622 1.00 1.26 C ATOM 823 O GLU A 73 -8.050 -11.504 -1.923 1.00 1.87 O ATOM 824 CB GLU A 73 -11.064 -11.709 0.072 1.00 1.67 C ATOM 825 CG GLU A 73 -10.560 -10.743 1.125 1.00 1.87 C ATOM 826 CD GLU A 73 -11.653 -10.312 2.078 1.00 2.12 C ATOM 827 OE1 GLU A 73 -12.804 -10.139 1.635 1.00 2.64 O ATOM 828 OE2 GLU A 73 -11.376 -10.165 3.284 1.00 2.46 O ATOM 0 H GLU A 73 -8.124 -12.542 0.208 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.434 -13.071 -1.436 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -11.750 -11.181 -0.591 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -11.637 -12.496 0.562 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -9.753 -11.212 1.689 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -10.139 -9.864 0.637 1.00 1.87 H new ATOM 835 N PHE A 74 -9.928 -10.247 -2.004 1.00 1.04 N ATOM 836 CA PHE A 74 -9.386 -9.230 -2.908 1.00 1.02 C ATOM 837 C PHE A 74 -9.178 -9.865 -4.274 1.00 1.08 C ATOM 838 O PHE A 74 -8.187 -9.622 -4.963 1.00 1.45 O ATOM 839 CB PHE A 74 -8.072 -8.632 -2.377 1.00 0.94 C ATOM 840 CG PHE A 74 -8.172 -8.059 -0.988 1.00 0.96 C ATOM 841 CD1 PHE A 74 -9.011 -6.988 -0.723 1.00 1.61 C ATOM 842 CD2 PHE A 74 -7.421 -8.589 0.052 1.00 1.18 C ATOM 843 CE1 PHE A 74 -9.100 -6.459 0.551 1.00 1.70 C ATOM 844 CE2 PHE A 74 -7.508 -8.063 1.327 1.00 1.25 C ATOM 845 CZ PHE A 74 -8.349 -6.997 1.577 1.00 1.19 C ATOM 0 H PHE A 74 -10.883 -10.061 -1.696 1.00 1.04 H new ATOM 0 HA PHE A 74 -10.094 -8.405 -2.981 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -7.304 -9.406 -2.384 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.741 -7.848 -3.058 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.602 -6.562 -1.521 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.761 -9.422 -0.137 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -9.758 -5.624 0.744 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -6.919 -8.486 2.127 1.00 1.25 H new ATOM 0 HZ PHE A 74 -8.419 -6.585 2.573 1.00 1.19 H new ATOM 901 N HIS A 78 -7.199 -4.637 -7.560 1.00 0.88 N ATOM 902 CA HIS A 78 -5.878 -4.351 -7.024 1.00 0.85 C ATOM 903 C HIS A 78 -6.009 -3.300 -5.938 1.00 0.69 C ATOM 904 O HIS A 78 -7.113 -2.823 -5.674 1.00 0.68 O ATOM 905 CB HIS A 78 -4.934 -3.847 -8.119 1.00 1.02 C ATOM 906 CG HIS A 78 -4.900 -4.707 -9.345 1.00 1.16 C ATOM 907 ND1 HIS A 78 -5.733 -4.500 -10.423 1.00 1.50 N ATOM 908 CD2 HIS A 78 -4.128 -5.770 -9.668 1.00 1.41 C ATOM 909 CE1 HIS A 78 -5.476 -5.396 -11.354 1.00 1.96 C ATOM 910 NE2 HIS A 78 -4.505 -6.180 -10.921 1.00 1.85 N ATOM 0 HA HIS A 78 -5.457 -5.269 -6.615 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -5.233 -2.838 -8.405 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -3.926 -3.777 -7.710 1.00 1.02 H new ATOM 0 HD1 HIS A 78 -6.439 -3.767 -10.490 1.00 1.50 H new ATOM 0 HD2 HIS A 78 -3.358 -6.213 -9.054 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -5.974 -5.476 -12.309 1.00 1.96 H new ATOM 919 N LEU A 79 -4.896 -2.925 -5.322 1.00 0.60 N ATOM 920 CA LEU A 79 -4.923 -1.939 -4.250 1.00 0.46 C ATOM 921 C LEU A 79 -5.581 -0.645 -4.720 1.00 0.44 C ATOM 922 O LEU A 79 -6.460 -0.104 -4.053 1.00 0.42 O ATOM 923 CB LEU A 79 -3.506 -1.647 -3.750 1.00 0.44 C ATOM 924 CG LEU A 79 -3.440 -0.792 -2.487 1.00 0.37 C ATOM 925 CD1 LEU A 79 -3.996 -1.564 -1.303 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.017 -0.342 -2.213 1.00 0.41 C ATOM 0 H LEU A 79 -3.968 -3.286 -5.544 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.510 -2.353 -3.430 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.000 -2.593 -3.559 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -2.952 -1.144 -4.543 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.050 0.098 -2.640 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -3.944 -0.944 -0.408 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.034 -1.832 -1.499 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.409 -2.470 -1.152 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.995 0.266 -1.308 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.379 -1.215 -2.079 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.653 0.247 -3.055 1.00 0.41 H new ATOM 938 N ALA A 80 -5.174 -0.175 -5.890 1.00 0.50 N ATOM 939 CA ALA A 80 -5.689 1.072 -6.433 1.00 0.54 C ATOM 940 C ALA A 80 -7.174 0.970 -6.766 1.00 0.58 C ATOM 941 O ALA A 80 -7.924 1.918 -6.551 1.00 0.61 O ATOM 942 CB ALA A 80 -4.896 1.477 -7.656 1.00 0.63 C ATOM 0 H ALA A 80 -4.487 -0.640 -6.483 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.577 1.841 -5.668 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.292 2.412 -8.053 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -3.850 1.613 -7.383 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -4.975 0.699 -8.415 1.00 0.63 H new ATOM 948 N ASP A 81 -7.592 -0.183 -7.284 1.00 0.64 N ATOM 949 CA ASP A 81 -9.008 -0.423 -7.576 1.00 0.70 C ATOM 950 C ASP A 81 -9.823 -0.285 -6.299 1.00 0.60 C ATOM 951 O ASP A 81 -10.883 0.340 -6.279 1.00 0.67 O ATOM 952 CB ASP A 81 -9.224 -1.824 -8.160 1.00 0.78 C ATOM 953 CG ASP A 81 -8.557 -2.034 -9.502 1.00 1.52 C ATOM 954 OD1 ASP A 81 -9.163 -1.692 -10.537 1.00 2.06 O ATOM 955 OD2 ASP A 81 -7.433 -2.573 -9.530 1.00 2.30 O ATOM 0 H ASP A 81 -6.976 -0.964 -7.510 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.332 0.314 -8.311 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.844 -2.564 -7.456 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -10.294 -2.003 -8.264 1.00 0.78 H new ATOM 960 N ILE A 82 -9.296 -0.874 -5.234 1.00 0.50 N ATOM 961 CA ILE A 82 -9.906 -0.807 -3.915 1.00 0.45 C ATOM 962 C ILE A 82 -10.032 0.637 -3.436 1.00 0.48 C ATOM 963 O ILE A 82 -11.117 1.089 -3.067 1.00 0.61 O ATOM 964 CB ILE A 82 -9.068 -1.617 -2.903 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.170 -3.110 -3.211 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.500 -1.328 -1.477 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.270 -3.970 -2.354 1.00 0.61 C ATOM 0 H ILE A 82 -8.431 -1.413 -5.262 1.00 0.50 H new ATOM 0 HA ILE A 82 -10.907 -1.234 -3.986 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.026 -1.312 -2.999 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.203 -3.431 -3.073 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -8.923 -3.273 -4.260 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -8.892 -1.913 -0.787 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.370 -0.267 -1.265 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.549 -1.597 -1.353 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -8.397 -5.017 -2.630 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.232 -3.677 -2.509 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.532 -3.837 -1.304 1.00 0.61 H new ATOM 974 N LEU A 83 -8.920 1.358 -3.465 1.00 0.44 N ATOM 975 CA LEU A 83 -8.883 2.736 -2.987 1.00 0.52 C ATOM 976 C LEU A 83 -9.737 3.653 -3.854 1.00 0.69 C ATOM 977 O LEU A 83 -10.274 4.645 -3.375 1.00 0.83 O ATOM 978 CB LEU A 83 -7.444 3.253 -2.945 1.00 0.47 C ATOM 979 CG LEU A 83 -6.656 2.926 -1.671 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.595 1.427 -1.423 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.257 3.500 -1.769 1.00 0.42 C ATOM 0 H LEU A 83 -8.027 1.011 -3.816 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.295 2.741 -1.978 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -6.905 2.842 -3.799 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.463 4.336 -3.071 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.174 3.380 -0.826 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.029 1.232 -0.512 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.606 1.035 -1.313 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.106 0.938 -2.266 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.703 3.264 -0.861 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -4.746 3.067 -2.629 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.315 4.582 -1.888 1.00 0.42 H new ATOM 993 N ASN A 84 -9.868 3.313 -5.128 1.00 0.74 N ATOM 994 CA ASN A 84 -10.670 4.113 -6.044 1.00 0.94 C ATOM 995 C ASN A 84 -12.154 3.932 -5.740 1.00 0.97 C ATOM 996 O ASN A 84 -12.977 4.785 -6.072 1.00 1.15 O ATOM 997 CB ASN A 84 -10.371 3.730 -7.495 1.00 1.04 C ATOM 998 CG ASN A 84 -10.897 4.751 -8.486 1.00 1.27 C ATOM 999 OD1 ASN A 84 -10.220 5.735 -8.793 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -12.093 4.524 -9.007 1.00 1.79 N ATOM 0 H ASN A 84 -9.432 2.493 -5.550 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.411 5.163 -5.907 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.294 3.624 -7.625 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.815 2.758 -7.710 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -12.485 5.175 -9.688 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -12.623 3.698 -8.728 1.00 1.79 H new ATOM 1007 N SER A 85 -12.482 2.822 -5.095 1.00 0.87 N ATOM 1008 CA SER A 85 -13.852 2.546 -4.698 1.00 0.93 C ATOM 1009 C SER A 85 -14.170 3.254 -3.381 1.00 0.91 C ATOM 1010 O SER A 85 -15.324 3.586 -3.106 1.00 1.01 O ATOM 1011 CB SER A 85 -14.066 1.035 -4.562 1.00 0.98 C ATOM 1012 OG SER A 85 -15.430 0.723 -4.325 1.00 1.50 O ATOM 0 H SER A 85 -11.814 2.096 -4.835 1.00 0.87 H new ATOM 0 HA SER A 85 -14.527 2.924 -5.466 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.730 0.535 -5.471 1.00 0.98 H new ATOM 0 HB3 SER A 85 -13.456 0.652 -3.744 1.00 0.98 H new ATOM 0 HG SER A 85 -15.534 -0.248 -4.244 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.138 3.488 -2.578 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.290 4.209 -1.322 1.00 0.95 C ATOM 1020 C ALA A 86 -13.280 5.707 -1.582 1.00 1.14 C ATOM 1021 O ALA A 86 -12.491 6.198 -2.390 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.185 3.824 -0.350 1.00 1.09 C ATOM 0 H ALA A 86 -12.184 3.187 -2.777 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.245 3.939 -0.872 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.314 4.372 0.583 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.232 2.753 -0.151 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.216 4.070 -0.784 1.00 1.09 H new ATOM 1162 N ALA B 17 -8.063 7.452 -7.325 1.00 0.94 N ATOM 1163 CA ALA B 17 -6.916 6.928 -6.603 1.00 0.81 C ATOM 1164 C ALA B 17 -5.637 7.118 -7.410 1.00 0.69 C ATOM 1165 O ALA B 17 -5.159 6.195 -8.070 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.127 5.459 -6.269 1.00 1.09 C ATOM 0 HA ALA B 17 -6.813 7.483 -5.671 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.260 5.081 -5.728 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.017 5.351 -5.649 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.256 4.891 -7.190 1.00 1.09 H new ATOM 1172 N SER B 18 -5.103 8.329 -7.374 1.00 0.64 N ATOM 1173 CA SER B 18 -3.856 8.634 -8.050 1.00 0.61 C ATOM 1174 C SER B 18 -2.679 8.041 -7.281 1.00 0.50 C ATOM 1175 O SER B 18 -2.755 7.890 -6.059 1.00 0.45 O ATOM 1176 CB SER B 18 -3.704 10.147 -8.200 1.00 0.67 C ATOM 1177 OG SER B 18 -4.824 10.696 -8.876 1.00 1.33 O ATOM 0 H SER B 18 -5.518 9.119 -6.880 1.00 0.64 H new ATOM 0 HA SER B 18 -3.869 8.188 -9.044 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.604 10.607 -7.217 1.00 0.67 H new ATOM 0 HB3 SER B 18 -2.792 10.373 -8.752 1.00 0.67 H new ATOM 0 HG SER B 18 -4.711 11.666 -8.962 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.609 7.697 -7.985 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.518 6.926 -7.393 1.00 0.43 C ATOM 1185 C LYS B 19 0.048 7.576 -6.127 1.00 0.35 C ATOM 1186 O LYS B 19 0.211 6.902 -5.107 1.00 0.28 O ATOM 1187 CB LYS B 19 0.593 6.664 -8.422 1.00 0.54 C ATOM 1188 CG LYS B 19 1.072 7.894 -9.173 1.00 0.85 C ATOM 1189 CD LYS B 19 2.169 7.540 -10.164 1.00 1.13 C ATOM 1190 CE LYS B 19 2.521 8.717 -11.059 1.00 1.74 C ATOM 1191 NZ LYS B 19 1.374 9.127 -11.911 1.00 2.10 N ATOM 0 H LYS B 19 -1.471 7.938 -8.966 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.942 5.969 -7.089 1.00 0.43 H new ATOM 0 HB2 LYS B 19 1.444 6.215 -7.910 1.00 0.54 H new ATOM 0 HB3 LYS B 19 0.233 5.932 -9.145 1.00 0.54 H new ATOM 0 HG2 LYS B 19 0.235 8.350 -9.701 1.00 0.85 H new ATOM 0 HG3 LYS B 19 1.443 8.634 -8.464 1.00 0.85 H new ATOM 0 HD2 LYS B 19 3.058 7.216 -9.622 1.00 1.13 H new ATOM 0 HD3 LYS B 19 1.847 6.699 -10.779 1.00 1.13 H new ATOM 0 HE2 LYS B 19 2.836 9.560 -10.444 1.00 1.74 H new ATOM 0 HE3 LYS B 19 3.367 8.451 -11.692 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 1.729 9.604 -12.765 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 0.828 8.286 -12.186 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 0.762 9.779 -11.379 1.00 2.10 H new ATOM 1205 N GLU B 20 0.311 8.880 -6.171 1.00 0.41 N ATOM 1206 CA GLU B 20 0.922 9.567 -5.032 1.00 0.42 C ATOM 1207 C GLU B 20 -0.020 9.583 -3.827 1.00 0.34 C ATOM 1208 O GLU B 20 0.427 9.534 -2.680 1.00 0.30 O ATOM 1209 CB GLU B 20 1.341 10.991 -5.413 1.00 0.57 C ATOM 1210 CG GLU B 20 0.183 11.907 -5.771 1.00 0.64 C ATOM 1211 CD GLU B 20 0.646 13.234 -6.334 1.00 0.95 C ATOM 1212 OE1 GLU B 20 0.877 14.173 -5.546 1.00 1.49 O ATOM 1213 OE2 GLU B 20 0.786 13.345 -7.569 1.00 1.58 O ATOM 0 H GLU B 20 0.114 9.478 -6.973 1.00 0.41 H new ATOM 0 HA GLU B 20 1.817 9.013 -4.750 1.00 0.42 H new ATOM 0 HB2 GLU B 20 1.893 11.430 -4.582 1.00 0.57 H new ATOM 0 HB3 GLU B 20 2.026 10.942 -6.260 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -0.457 11.410 -6.500 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -0.424 12.085 -4.883 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.319 9.624 -4.097 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.330 9.593 -3.045 1.00 0.39 C ATOM 1222 C GLU B 21 -2.322 8.225 -2.374 1.00 0.32 C ATOM 1223 O GLU B 21 -2.404 8.108 -1.151 1.00 0.33 O ATOM 1224 CB GLU B 21 -3.713 9.854 -3.639 1.00 0.50 C ATOM 1225 CG GLU B 21 -3.770 11.061 -4.563 1.00 0.62 C ATOM 1226 CD GLU B 21 -3.565 12.379 -3.849 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -4.375 12.716 -2.966 1.00 1.49 O ATOM 1228 OE2 GLU B 21 -2.613 13.106 -4.204 1.00 1.54 O ATOM 0 H GLU B 21 -1.700 9.679 -5.042 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.103 10.366 -2.311 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.033 8.971 -4.192 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.425 9.997 -2.826 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -3.009 10.953 -5.335 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -4.736 11.077 -5.068 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.212 7.196 -3.203 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.150 5.821 -2.737 1.00 0.29 C ATOM 1237 C ILE B 22 -0.893 5.593 -1.910 1.00 0.24 C ATOM 1238 O ILE B 22 -0.946 5.013 -0.825 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.168 4.844 -3.929 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.482 4.987 -4.698 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -1.966 3.408 -3.460 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.531 4.174 -5.968 1.00 0.44 C ATOM 0 H ILE B 22 -2.163 7.293 -4.217 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.025 5.637 -2.113 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.343 5.092 -4.596 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.306 4.685 -4.052 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.637 6.038 -4.943 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -1.983 2.739 -4.320 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.005 3.323 -2.953 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -2.765 3.134 -2.771 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.492 4.325 -6.460 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.729 4.491 -6.634 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.408 3.118 -5.729 1.00 0.44 H new ATOM 1249 N ALA B 23 0.233 6.069 -2.429 1.00 0.20 N ATOM 1250 CA ALA B 23 1.512 5.954 -1.741 1.00 0.19 C ATOM 1251 C ALA B 23 1.438 6.566 -0.351 1.00 0.20 C ATOM 1252 O ALA B 23 2.011 6.036 0.598 1.00 0.20 O ATOM 1253 CB ALA B 23 2.607 6.624 -2.549 1.00 0.20 C ATOM 0 H ALA B 23 0.285 6.542 -3.331 1.00 0.20 H new ATOM 0 HA ALA B 23 1.747 4.895 -1.637 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.557 6.530 -2.023 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.684 6.145 -3.525 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.368 7.679 -2.681 1.00 0.20 H new ATOM 1259 N ALA B 24 0.716 7.675 -0.243 1.00 0.22 N ATOM 1260 CA ALA B 24 0.529 8.352 1.030 1.00 0.25 C ATOM 1261 C ALA B 24 -0.133 7.428 2.050 1.00 0.23 C ATOM 1262 O ALA B 24 0.277 7.370 3.206 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.298 9.612 0.832 1.00 0.31 C ATOM 0 H ALA B 24 0.248 8.126 -1.029 1.00 0.22 H new ATOM 0 HA ALA B 24 1.508 8.631 1.420 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.433 10.113 1.791 1.00 0.31 H new ATOM 0 HB2 ALA B 24 0.217 10.281 0.143 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.272 9.347 0.421 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.150 6.697 1.611 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.828 5.737 2.475 1.00 0.23 C ATOM 1271 C LEU B 25 -0.920 4.556 2.795 1.00 0.22 C ATOM 1272 O LEU B 25 -0.932 4.035 3.912 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.114 5.240 1.816 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.283 6.220 1.851 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.382 5.759 0.914 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.821 6.355 3.269 1.00 0.43 C ATOM 0 H LEU B 25 -1.524 6.750 0.663 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.079 6.244 3.407 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -2.899 4.993 0.776 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.421 4.316 2.306 1.00 0.26 H new ATOM 0 HG LEU B 25 -3.928 7.196 1.521 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.210 6.467 0.948 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -4.994 5.704 -0.103 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.733 4.774 1.222 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.654 7.058 3.277 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.163 5.382 3.622 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -4.031 6.722 3.924 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.130 4.146 1.812 1.00 0.20 N ATOM 1289 CA ILE B 26 0.787 3.027 1.978 1.00 0.21 C ATOM 1290 C ILE B 26 1.865 3.351 3.010 1.00 0.20 C ATOM 1291 O ILE B 26 2.067 2.599 3.965 1.00 0.22 O ATOM 1292 CB ILE B 26 1.457 2.642 0.640 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.396 2.236 -0.387 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.450 1.508 0.851 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.958 1.959 -1.764 1.00 0.27 C ATOM 0 H ILE B 26 -0.106 4.574 0.887 1.00 0.20 H new ATOM 0 HA ILE B 26 0.197 2.181 2.330 1.00 0.21 H new ATOM 0 HB ILE B 26 1.997 3.509 0.260 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.121 1.346 -0.029 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.348 3.029 -0.461 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.913 1.248 -0.101 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.220 1.825 1.555 1.00 0.24 H new ATOM 0 HG23 ILE B 26 1.929 0.638 1.250 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.149 1.677 -2.437 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.450 2.855 -2.143 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.681 1.145 -1.705 1.00 0.27 H new ATOM 1302 N VAL B 27 2.538 4.483 2.828 1.00 0.18 N ATOM 1303 CA VAL B 27 3.604 4.887 3.739 1.00 0.20 C ATOM 1304 C VAL B 27 3.044 5.185 5.128 1.00 0.22 C ATOM 1305 O VAL B 27 3.708 4.949 6.140 1.00 0.23 O ATOM 1306 CB VAL B 27 4.394 6.109 3.215 1.00 0.21 C ATOM 1307 CG1 VAL B 27 5.054 5.789 1.884 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.508 7.337 3.086 1.00 0.21 C ATOM 0 H VAL B 27 2.366 5.134 2.062 1.00 0.18 H new ATOM 0 HA VAL B 27 4.298 4.049 3.802 1.00 0.20 H new ATOM 0 HB VAL B 27 5.170 6.336 3.946 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.605 6.661 1.532 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.741 4.953 2.010 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.290 5.523 1.153 1.00 0.21 H new ATOM 0 HG21 VAL B 27 4.099 8.175 2.715 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.696 7.129 2.389 1.00 0.21 H new ATOM 0 HG23 VAL B 27 3.092 7.590 4.061 1.00 0.21 H new ATOM 1312 N ASN B 28 1.812 5.682 5.174 1.00 0.25 N ATOM 1313 CA ASN B 28 1.150 5.957 6.441 1.00 0.32 C ATOM 1314 C ASN B 28 0.826 4.656 7.160 1.00 0.27 C ATOM 1315 O ASN B 28 0.986 4.553 8.373 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.130 6.768 6.225 1.00 0.44 C ATOM 1317 CG ASN B 28 -0.785 7.180 7.531 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -1.614 6.458 8.082 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -0.418 8.350 8.032 1.00 0.86 N ATOM 0 H ASN B 28 1.254 5.902 4.349 1.00 0.25 H new ATOM 0 HA ASN B 28 1.830 6.545 7.057 1.00 0.32 H new ATOM 0 HB2 ASN B 28 0.103 7.659 5.642 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -0.835 6.179 5.639 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -0.827 8.681 8.906 1.00 0.86 H new ATOM 0 HD22 ASN B 28 0.273 8.919 7.544 1.00 0.86 H new ATOM 1326 N TYR B 29 0.381 3.658 6.403 1.00 0.25 N ATOM 1327 CA TYR B 29 0.088 2.347 6.967 1.00 0.24 C ATOM 1328 C TYR B 29 1.357 1.713 7.526 1.00 0.18 C ATOM 1329 O TYR B 29 1.354 1.174 8.629 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.543 1.424 5.921 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.734 0.008 6.418 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.560 -0.258 7.502 1.00 1.23 C ATOM 1333 CD2 TYR B 29 -0.072 -1.057 5.820 1.00 1.20 C ATOM 1334 CE1 TYR B 29 -1.723 -1.544 7.975 1.00 1.25 C ATOM 1335 CE2 TYR B 29 -0.229 -2.347 6.290 1.00 1.22 C ATOM 1336 CZ TYR B 29 -1.057 -2.584 7.367 1.00 0.42 C ATOM 1337 OH TYR B 29 -1.215 -3.865 7.842 1.00 0.49 O ATOM 0 H TYR B 29 0.216 3.733 5.399 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.628 2.484 7.778 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.509 1.831 5.621 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.087 1.409 5.031 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -2.084 0.555 7.983 1.00 1.23 H new ATOM 0 HD2 TYR B 29 0.575 -0.874 4.975 1.00 1.20 H new ATOM 0 HE1 TYR B 29 -2.370 -1.734 8.818 1.00 1.25 H new ATOM 0 HE2 TYR B 29 0.294 -3.165 5.817 1.00 1.22 H new ATOM 0 HH TYR B 29 -1.993 -3.900 8.437 1.00 0.49 H new ATOM 1347 N PHE B 30 2.437 1.789 6.760 1.00 0.16 N ATOM 1348 CA PHE B 30 3.727 1.280 7.212 1.00 0.16 C ATOM 1349 C PHE B 30 4.159 1.992 8.491 1.00 0.18 C ATOM 1350 O PHE B 30 4.666 1.368 9.425 1.00 0.21 O ATOM 1351 CB PHE B 30 4.788 1.466 6.126 1.00 0.19 C ATOM 1352 CG PHE B 30 4.627 0.562 4.930 1.00 0.19 C ATOM 1353 CD1 PHE B 30 3.658 -0.431 4.901 1.00 1.17 C ATOM 1354 CD2 PHE B 30 5.463 0.703 3.833 1.00 1.20 C ATOM 1355 CE1 PHE B 30 3.528 -1.261 3.805 1.00 1.16 C ATOM 1356 CE2 PHE B 30 5.335 -0.123 2.734 1.00 1.22 C ATOM 1357 CZ PHE B 30 4.367 -1.106 2.720 1.00 0.25 C ATOM 0 H PHE B 30 2.447 2.197 5.825 1.00 0.16 H new ATOM 0 HA PHE B 30 3.622 0.215 7.419 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.765 2.502 5.788 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.771 1.295 6.564 1.00 0.19 H new ATOM 0 HD1 PHE B 30 2.997 -0.556 5.746 1.00 1.17 H new ATOM 0 HD2 PHE B 30 6.224 1.469 3.838 1.00 1.20 H new ATOM 0 HE1 PHE B 30 2.770 -2.031 3.797 1.00 1.16 H new ATOM 0 HE2 PHE B 30 5.992 0.000 1.886 1.00 1.22 H new ATOM 0 HZ PHE B 30 4.266 -1.753 1.861 1.00 0.25 H new ATOM 1367 N SER B 31 3.926 3.298 8.534 1.00 0.21 N ATOM 1368 CA SER B 31 4.227 4.090 9.717 1.00 0.26 C ATOM 1369 C SER B 31 3.295 3.708 10.871 1.00 0.25 C ATOM 1370 O SER B 31 3.664 3.809 12.039 1.00 0.27 O ATOM 1371 CB SER B 31 4.103 5.580 9.395 1.00 0.35 C ATOM 1372 OG SER B 31 4.969 5.945 8.330 1.00 1.15 O ATOM 0 H SER B 31 3.528 3.831 7.760 1.00 0.21 H new ATOM 0 HA SER B 31 5.252 3.884 10.026 1.00 0.26 H new ATOM 0 HB2 SER B 31 3.073 5.813 9.127 1.00 0.35 H new ATOM 0 HB3 SER B 31 4.342 6.168 10.281 1.00 0.35 H new ATOM 0 HG SER B 31 4.676 5.505 7.505 1.00 1.15 H new ATOM 1378 N SER B 32 2.096 3.253 10.535 1.00 0.27 N ATOM 1379 CA SER B 32 1.138 2.798 11.532 1.00 0.30 C ATOM 1380 C SER B 32 1.580 1.458 12.118 1.00 0.28 C ATOM 1381 O SER B 32 1.352 1.178 13.297 1.00 0.36 O ATOM 1382 CB SER B 32 -0.257 2.673 10.908 1.00 0.40 C ATOM 1383 OG SER B 32 -1.226 2.276 11.866 1.00 0.99 O ATOM 0 H SER B 32 1.762 3.189 9.573 1.00 0.27 H new ATOM 0 HA SER B 32 1.095 3.532 12.337 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.547 3.628 10.471 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.229 1.946 10.096 1.00 0.40 H new ATOM 0 HG SER B 32 -2.103 2.208 11.435 1.00 0.99 H new ATOM 1389 N ILE B 33 2.226 0.636 11.296 1.00 0.24 N ATOM 1390 CA ILE B 33 2.721 -0.659 11.743 1.00 0.27 C ATOM 1391 C ILE B 33 3.800 -0.481 12.808 1.00 0.26 C ATOM 1392 O ILE B 33 3.835 -1.213 13.799 1.00 0.32 O ATOM 1393 CB ILE B 33 3.286 -1.495 10.573 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.218 -1.709 9.502 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.795 -2.836 11.078 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.712 -2.487 8.302 1.00 0.34 C ATOM 0 H ILE B 33 2.418 0.845 10.316 1.00 0.24 H new ATOM 0 HA ILE B 33 1.873 -1.197 12.167 1.00 0.27 H new ATOM 0 HB ILE B 33 4.118 -0.947 10.131 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.373 -2.237 9.944 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.849 -0.739 9.169 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.190 -3.413 10.242 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.585 -2.673 11.811 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.976 -3.384 11.543 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.901 -2.601 7.583 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.538 -1.950 7.835 1.00 0.34 H new ATOM 0 HD13 ILE B 33 3.054 -3.471 8.622 1.00 0.34 H new ATOM 1403 N VAL B 34 4.672 0.502 12.610 1.00 0.25 N ATOM 1404 CA VAL B 34 5.710 0.794 13.591 1.00 0.31 C ATOM 1405 C VAL B 34 5.149 1.647 14.727 1.00 0.37 C ATOM 1406 O VAL B 34 5.710 1.681 15.822 1.00 0.47 O ATOM 1407 CB VAL B 34 6.941 1.491 12.960 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.552 0.616 11.876 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.580 2.858 12.401 1.00 0.33 C ATOM 0 H VAL B 34 4.681 1.105 11.787 1.00 0.25 H new ATOM 0 HA VAL B 34 6.047 -0.163 13.990 1.00 0.31 H new ATOM 0 HB VAL B 34 7.679 1.639 13.748 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.416 1.122 11.444 1.00 0.35 H new ATOM 0 HG12 VAL B 34 7.867 -0.333 12.309 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.812 0.432 11.097 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.467 3.319 11.966 1.00 0.33 H new ATOM 0 HG22 VAL B 34 5.815 2.746 11.633 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.199 3.490 13.203 1.00 0.33 H new ATOM 1413 N GLU B 35 4.032 2.320 14.462 1.00 0.35 N ATOM 1414 CA GLU B 35 3.339 3.095 15.485 1.00 0.46 C ATOM 1415 C GLU B 35 2.752 2.157 16.531 1.00 0.51 C ATOM 1416 O GLU B 35 2.967 2.329 17.732 1.00 0.62 O ATOM 1417 CB GLU B 35 2.227 3.938 14.853 1.00 0.51 C ATOM 1418 CG GLU B 35 1.574 4.920 15.814 1.00 0.70 C ATOM 1419 CD GLU B 35 2.560 5.926 16.369 1.00 1.49 C ATOM 1420 OE1 GLU B 35 2.985 6.827 15.617 1.00 2.22 O ATOM 1421 OE2 GLU B 35 2.921 5.824 17.559 1.00 2.19 O ATOM 0 H GLU B 35 3.587 2.343 13.544 1.00 0.35 H new ATOM 0 HA GLU B 35 4.053 3.765 15.964 1.00 0.46 H new ATOM 0 HB2 GLU B 35 2.639 4.491 14.009 1.00 0.51 H new ATOM 0 HB3 GLU B 35 1.462 3.272 14.455 1.00 0.51 H new ATOM 0 HG2 GLU B 35 0.771 5.448 15.300 1.00 0.70 H new ATOM 0 HG3 GLU B 35 1.118 4.370 16.637 1.00 0.70 H new ATOM 1428 N LYS B 36 2.022 1.151 16.066 1.00 0.47 N ATOM 1429 CA LYS B 36 1.469 0.134 16.954 1.00 0.55 C ATOM 1430 C LYS B 36 2.566 -0.836 17.386 1.00 0.51 C ATOM 1431 O LYS B 36 2.415 -1.589 18.348 1.00 0.61 O ATOM 1432 CB LYS B 36 0.326 -0.624 16.266 1.00 0.67 C ATOM 1433 CG LYS B 36 0.762 -1.415 15.040 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.410 -2.100 14.345 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.076 -1.207 13.300 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.765 -0.029 13.892 1.00 2.08 N ATOM 0 H LYS B 36 1.799 1.017 15.080 1.00 0.47 H new ATOM 0 HA LYS B 36 1.066 0.628 17.838 1.00 0.55 H new ATOM 0 HB2 LYS B 36 -0.129 -1.306 16.984 1.00 0.67 H new ATOM 0 HB3 LYS B 36 -0.444 0.089 15.972 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.258 -0.746 14.337 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.495 -2.166 15.337 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.060 -3.014 13.866 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -1.149 -2.394 15.091 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -0.322 -0.862 12.592 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -1.798 -1.796 12.734 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -2.486 0.321 13.229 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -2.220 -0.306 14.785 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -1.071 0.723 14.076 1.00 2.08 H new ATOM 1450 N LYS B 37 3.670 -0.788 16.634 1.00 0.48 N ATOM 1451 CA LYS B 37 4.863 -1.594 16.879 1.00 0.55 C ATOM 1452 C LYS B 37 4.528 -3.080 16.905 1.00 0.59 C ATOM 1453 O LYS B 37 4.872 -3.796 17.839 1.00 0.76 O ATOM 1454 CB LYS B 37 5.557 -1.165 18.175 1.00 0.72 C ATOM 1455 CG LYS B 37 7.000 -1.635 18.274 1.00 1.19 C ATOM 1456 CD LYS B 37 7.681 -1.096 19.520 1.00 1.42 C ATOM 1457 CE LYS B 37 9.171 -1.408 19.523 1.00 1.99 C ATOM 1458 NZ LYS B 37 9.889 -0.722 18.412 1.00 2.60 N ATOM 0 H LYS B 37 3.758 -0.175 15.823 1.00 0.48 H new ATOM 0 HA LYS B 37 5.555 -1.424 16.054 1.00 0.55 H new ATOM 0 HB2 LYS B 37 5.531 -0.078 18.249 1.00 0.72 H new ATOM 0 HB3 LYS B 37 4.997 -1.556 19.024 1.00 0.72 H new ATOM 0 HG2 LYS B 37 7.028 -2.725 18.286 1.00 1.19 H new ATOM 0 HG3 LYS B 37 7.550 -1.312 17.390 1.00 1.19 H new ATOM 0 HD2 LYS B 37 7.534 -0.017 19.578 1.00 1.42 H new ATOM 0 HD3 LYS B 37 7.216 -1.529 20.406 1.00 1.42 H new ATOM 0 HE2 LYS B 37 9.603 -1.103 20.476 1.00 1.99 H new ATOM 0 HE3 LYS B 37 9.316 -2.485 19.437 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 10.910 -0.719 18.609 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 9.710 -1.225 17.520 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 9.549 0.257 18.331 1.00 2.60 H new ATOM 1472 N GLU B 38 3.862 -3.536 15.857 1.00 0.54 N ATOM 1473 CA GLU B 38 3.494 -4.941 15.741 1.00 0.69 C ATOM 1474 C GLU B 38 4.563 -5.671 14.941 1.00 0.69 C ATOM 1475 O GLU B 38 4.627 -6.903 14.915 1.00 1.03 O ATOM 1476 CB GLU B 38 2.129 -5.073 15.061 1.00 0.79 C ATOM 1477 CG GLU B 38 1.554 -6.478 15.099 1.00 1.35 C ATOM 1478 CD GLU B 38 0.213 -6.575 14.404 1.00 1.41 C ATOM 1479 OE1 GLU B 38 -0.797 -6.123 14.987 1.00 1.86 O ATOM 1480 OE2 GLU B 38 0.157 -7.102 13.276 1.00 2.11 O ATOM 0 H GLU B 38 3.564 -2.955 15.073 1.00 0.54 H new ATOM 0 HA GLU B 38 3.423 -5.385 16.734 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.428 -4.391 15.542 1.00 0.79 H new ATOM 0 HB3 GLU B 38 2.220 -4.757 14.022 1.00 0.79 H new ATOM 0 HG2 GLU B 38 2.255 -7.167 14.627 1.00 1.35 H new ATOM 0 HG3 GLU B 38 1.446 -6.795 16.136 1.00 1.35 H new ATOM 1487 N ILE B 39 5.412 -4.885 14.301 1.00 0.42 N ATOM 1488 CA ILE B 39 6.475 -5.412 13.464 1.00 0.43 C ATOM 1489 C ILE B 39 7.804 -5.374 14.219 1.00 0.48 C ATOM 1490 O ILE B 39 8.011 -4.520 15.085 1.00 0.52 O ATOM 1491 CB ILE B 39 6.570 -4.605 12.148 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.383 -5.363 11.101 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.171 -3.225 12.397 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.267 -4.778 9.711 1.00 0.47 C ATOM 0 H ILE B 39 5.384 -3.866 14.347 1.00 0.42 H new ATOM 0 HA ILE B 39 6.249 -6.449 13.214 1.00 0.43 H new ATOM 0 HB ILE B 39 5.559 -4.472 11.764 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.431 -5.367 11.399 1.00 0.46 H new ATOM 0 HG13 ILE B 39 7.054 -6.402 11.079 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.227 -2.677 11.456 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.544 -2.676 13.099 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.172 -3.334 12.814 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.869 -5.365 9.018 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.225 -4.799 9.393 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.623 -3.748 9.719 1.00 0.47 H new ATOM 1501 N SER B 40 8.686 -6.317 13.916 1.00 0.55 N ATOM 1502 CA SER B 40 9.965 -6.414 14.603 1.00 0.62 C ATOM 1503 C SER B 40 10.984 -5.459 13.977 1.00 0.53 C ATOM 1504 O SER B 40 10.740 -4.899 12.906 1.00 0.48 O ATOM 1505 CB SER B 40 10.469 -7.863 14.571 1.00 0.77 C ATOM 1506 OG SER B 40 11.625 -8.041 15.380 1.00 1.82 O ATOM 0 H SER B 40 8.538 -7.026 13.198 1.00 0.55 H new ATOM 0 HA SER B 40 9.832 -6.121 15.644 1.00 0.62 H new ATOM 0 HB2 SER B 40 9.679 -8.530 14.916 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.698 -8.145 13.543 1.00 0.77 H new ATOM 0 HG SER B 40 11.578 -7.443 16.155 1.00 1.82 H new ATOM 1512 N GLU B 41 12.115 -5.288 14.655 1.00 0.59 N ATOM 1513 CA GLU B 41 13.123 -4.294 14.295 1.00 0.60 C ATOM 1514 C GLU B 41 13.523 -4.364 12.821 1.00 0.49 C ATOM 1515 O GLU B 41 13.494 -3.349 12.124 1.00 0.46 O ATOM 1516 CB GLU B 41 14.368 -4.457 15.173 1.00 0.78 C ATOM 1517 CG GLU B 41 14.081 -4.447 16.669 1.00 1.08 C ATOM 1518 CD GLU B 41 13.689 -5.809 17.207 1.00 1.44 C ATOM 1519 OE1 GLU B 41 12.502 -6.183 17.104 1.00 1.99 O ATOM 1520 OE2 GLU B 41 14.575 -6.517 17.731 1.00 2.19 O ATOM 0 H GLU B 41 12.360 -5.840 15.477 1.00 0.59 H new ATOM 0 HA GLU B 41 12.672 -3.316 14.465 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.861 -5.394 14.915 1.00 0.78 H new ATOM 0 HB3 GLU B 41 15.069 -3.654 14.943 1.00 0.78 H new ATOM 0 HG2 GLU B 41 14.965 -4.093 17.200 1.00 1.08 H new ATOM 0 HG3 GLU B 41 13.280 -3.737 16.875 1.00 1.08 H new ATOM 1527 N ASP B 42 13.892 -5.554 12.352 1.00 0.52 N ATOM 1528 CA ASP B 42 14.330 -5.724 10.966 1.00 0.51 C ATOM 1529 C ASP B 42 13.239 -5.301 9.993 1.00 0.43 C ATOM 1530 O ASP B 42 13.501 -4.587 9.024 1.00 0.47 O ATOM 1531 CB ASP B 42 14.731 -7.173 10.689 1.00 0.61 C ATOM 1532 CG ASP B 42 15.141 -7.383 9.244 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.259 -6.966 8.872 1.00 2.29 O ATOM 1534 OD2 ASP B 42 14.345 -7.957 8.471 1.00 2.20 O ATOM 0 H ASP B 42 13.897 -6.410 12.906 1.00 0.52 H new ATOM 0 HA ASP B 42 15.201 -5.085 10.820 1.00 0.51 H new ATOM 0 HB2 ASP B 42 15.556 -7.452 11.344 1.00 0.61 H new ATOM 0 HB3 ASP B 42 13.897 -7.832 10.929 1.00 0.61 H new ATOM 1539 N GLY B 43 12.016 -5.737 10.264 1.00 0.39 N ATOM 1540 CA GLY B 43 10.893 -5.362 9.431 1.00 0.37 C ATOM 1541 C GLY B 43 10.652 -3.867 9.444 1.00 0.34 C ATOM 1542 O GLY B 43 10.368 -3.269 8.406 1.00 0.34 O ATOM 0 H GLY B 43 11.782 -6.345 11.049 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.075 -5.691 8.408 1.00 0.37 H new ATOM 0 HA3 GLY B 43 9.997 -5.877 9.777 1.00 0.37 H new ATOM 1546 N ALA B 44 10.780 -3.264 10.618 1.00 0.33 N ATOM 1547 CA ALA B 44 10.606 -1.827 10.767 1.00 0.33 C ATOM 1548 C ALA B 44 11.647 -1.072 9.949 1.00 0.32 C ATOM 1549 O ALA B 44 11.317 -0.140 9.216 1.00 0.31 O ATOM 1550 CB ALA B 44 10.689 -1.434 12.235 1.00 0.38 C ATOM 0 H ALA B 44 11.005 -3.752 11.485 1.00 0.33 H new ATOM 0 HA ALA B 44 9.619 -1.558 10.392 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.557 -0.356 12.331 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.906 -1.947 12.794 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.663 -1.717 12.633 1.00 0.38 H new ATOM 1556 N ASP B 45 12.902 -1.499 10.059 1.00 0.36 N ATOM 1557 CA ASP B 45 13.995 -0.876 9.316 1.00 0.38 C ATOM 1558 C ASP B 45 13.787 -1.045 7.816 1.00 0.36 C ATOM 1559 O ASP B 45 14.085 -0.146 7.026 1.00 0.37 O ATOM 1560 CB ASP B 45 15.340 -1.479 9.724 1.00 0.48 C ATOM 1561 CG ASP B 45 16.503 -0.823 9.008 1.00 1.11 C ATOM 1562 OD1 ASP B 45 16.945 0.258 9.455 1.00 1.81 O ATOM 1563 OD2 ASP B 45 16.992 -1.389 8.009 1.00 1.84 O ATOM 0 H ASP B 45 13.188 -2.275 10.656 1.00 0.36 H new ATOM 0 HA ASP B 45 14.001 0.188 9.555 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.472 -1.373 10.801 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.338 -2.547 9.507 1.00 0.48 H new ATOM 1568 N SER B 46 13.257 -2.200 7.433 1.00 0.37 N ATOM 1569 CA SER B 46 12.941 -2.471 6.039 1.00 0.40 C ATOM 1570 C SER B 46 11.889 -1.488 5.532 1.00 0.36 C ATOM 1571 O SER B 46 11.943 -1.033 4.391 1.00 0.38 O ATOM 1572 CB SER B 46 12.447 -3.910 5.884 1.00 0.50 C ATOM 1573 OG SER B 46 13.419 -4.834 6.347 1.00 0.98 O ATOM 0 H SER B 46 13.037 -2.965 8.071 1.00 0.37 H new ATOM 0 HA SER B 46 13.845 -2.345 5.443 1.00 0.40 H new ATOM 0 HB2 SER B 46 11.520 -4.042 6.442 1.00 0.50 H new ATOM 0 HB3 SER B 46 12.220 -4.110 4.837 1.00 0.50 H new ATOM 0 HG SER B 46 13.342 -4.930 7.319 1.00 0.98 H new ATOM 1579 N LEU B 47 10.940 -1.145 6.396 1.00 0.32 N ATOM 1580 CA LEU B 47 9.916 -0.168 6.052 1.00 0.30 C ATOM 1581 C LEU B 47 10.506 1.236 6.012 1.00 0.27 C ATOM 1582 O LEU B 47 10.022 2.097 5.285 1.00 0.28 O ATOM 1583 CB LEU B 47 8.754 -0.222 7.049 1.00 0.30 C ATOM 1584 CG LEU B 47 7.935 -1.515 7.026 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.802 -1.447 8.039 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.388 -1.773 5.631 1.00 0.41 C ATOM 0 H LEU B 47 10.859 -1.529 7.338 1.00 0.32 H new ATOM 0 HA LEU B 47 9.534 -0.416 5.062 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.152 -0.081 8.054 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.086 0.616 6.850 1.00 0.30 H new ATOM 0 HG LEU B 47 8.590 -2.343 7.298 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.231 -2.375 8.009 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.215 -1.308 9.038 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.147 -0.610 7.797 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.808 -2.696 5.632 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.748 -0.943 5.332 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.215 -1.865 4.927 1.00 0.41 H new ATOM 1598 N ASN B 48 11.558 1.457 6.788 1.00 0.26 N ATOM 1599 CA ASN B 48 12.215 2.759 6.837 1.00 0.26 C ATOM 1600 C ASN B 48 12.925 3.062 5.521 1.00 0.27 C ATOM 1601 O ASN B 48 12.748 4.140 4.948 1.00 0.32 O ATOM 1602 CB ASN B 48 13.209 2.825 8.001 1.00 0.28 C ATOM 1603 CG ASN B 48 12.535 2.786 9.362 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.080 2.240 10.321 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.354 3.377 9.467 1.00 0.40 N ATOM 0 H ASN B 48 11.977 0.751 7.394 1.00 0.26 H new ATOM 0 HA ASN B 48 11.445 3.514 6.995 1.00 0.26 H new ATOM 0 HB2 ASN B 48 13.906 1.991 7.923 1.00 0.28 H new ATOM 0 HB3 ASN B 48 13.796 3.740 7.919 1.00 0.28 H new ATOM 0 HD21 ASN B 48 10.868 3.389 10.363 1.00 0.40 H new ATOM 0 HD22 ASN B 48 10.931 3.820 8.651 1.00 0.40 H new ATOM 1612 N VAL B 49 13.717 2.111 5.030 1.00 0.27 N ATOM 1613 CA VAL B 49 14.400 2.293 3.753 1.00 0.29 C ATOM 1614 C VAL B 49 13.384 2.335 2.614 1.00 0.29 C ATOM 1615 O VAL B 49 13.510 3.130 1.681 1.00 0.32 O ATOM 1616 CB VAL B 49 15.469 1.198 3.482 1.00 0.32 C ATOM 1617 CG1 VAL B 49 14.866 -0.196 3.510 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.171 1.444 2.152 1.00 0.36 C ATOM 0 H VAL B 49 13.900 1.219 5.490 1.00 0.27 H new ATOM 0 HA VAL B 49 14.929 3.245 3.807 1.00 0.29 H new ATOM 0 HB VAL B 49 16.205 1.259 4.284 1.00 0.32 H new ATOM 0 HG11 VAL B 49 15.645 -0.933 3.316 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.426 -0.382 4.489 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.094 -0.274 2.744 1.00 0.34 H new ATOM 0 HG21 VAL B 49 16.915 0.665 1.984 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.438 1.427 1.345 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.663 2.417 2.175 1.00 0.36 H new ATOM 1622 N ALA B 50 12.352 1.503 2.717 1.00 0.30 N ATOM 1623 CA ALA B 50 11.283 1.488 1.731 1.00 0.34 C ATOM 1624 C ALA B 50 10.535 2.813 1.734 1.00 0.33 C ATOM 1625 O ALA B 50 10.063 3.267 0.700 1.00 0.37 O ATOM 1626 CB ALA B 50 10.325 0.338 1.999 1.00 0.37 C ATOM 0 H ALA B 50 12.236 0.831 3.475 1.00 0.30 H new ATOM 0 HA ALA B 50 11.728 1.344 0.746 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.532 0.343 1.251 1.00 0.37 H new ATOM 0 HB2 ALA B 50 10.867 -0.606 1.947 1.00 0.37 H new ATOM 0 HB3 ALA B 50 9.889 0.452 2.991 1.00 0.37 H new ATOM 1632 N MET B 51 10.457 3.432 2.906 1.00 0.34 N ATOM 1633 CA MET B 51 9.756 4.699 3.079 1.00 0.39 C ATOM 1634 C MET B 51 10.331 5.763 2.154 1.00 0.31 C ATOM 1635 O MET B 51 9.595 6.442 1.437 1.00 0.30 O ATOM 1636 CB MET B 51 9.872 5.154 4.534 1.00 0.52 C ATOM 1637 CG MET B 51 8.828 6.172 4.951 1.00 0.62 C ATOM 1638 SD MET B 51 7.147 5.575 4.711 1.00 0.65 S ATOM 1639 CE MET B 51 7.278 3.901 5.340 1.00 0.41 C ATOM 0 H MET B 51 10.877 3.071 3.762 1.00 0.34 H new ATOM 0 HA MET B 51 8.706 4.556 2.825 1.00 0.39 H new ATOM 0 HB2 MET B 51 9.793 4.282 5.183 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.863 5.580 4.692 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.973 6.427 6.001 1.00 0.62 H new ATOM 0 HG3 MET B 51 8.970 7.088 4.378 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.318 3.592 5.754 1.00 0.41 H new ATOM 0 HE2 MET B 51 7.557 3.228 4.529 1.00 0.41 H new ATOM 0 HE3 MET B 51 8.039 3.864 6.120 1.00 0.41 H new ATOM 1649 N ASP B 52 11.652 5.892 2.166 1.00 0.31 N ATOM 1650 CA ASP B 52 12.337 6.845 1.298 1.00 0.32 C ATOM 1651 C ASP B 52 12.149 6.463 -0.164 1.00 0.28 C ATOM 1652 O ASP B 52 11.923 7.318 -1.021 1.00 0.30 O ATOM 1653 CB ASP B 52 13.828 6.900 1.632 1.00 0.42 C ATOM 1654 CG ASP B 52 14.603 7.801 0.689 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.575 9.033 0.881 1.00 1.84 O ATOM 1656 OD2 ASP B 52 15.255 7.281 -0.241 1.00 1.99 O ATOM 0 H ASP B 52 12.272 5.349 2.767 1.00 0.31 H new ATOM 0 HA ASP B 52 11.903 7.831 1.465 1.00 0.32 H new ATOM 0 HB2 ASP B 52 13.955 7.255 2.655 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.243 5.893 1.590 1.00 0.42 H new ATOM 1661 N CYS B 53 12.221 5.165 -0.430 1.00 0.27 N ATOM 1662 CA CYS B 53 12.063 4.644 -1.779 1.00 0.27 C ATOM 1663 C CYS B 53 10.688 4.992 -2.346 1.00 0.28 C ATOM 1664 O CYS B 53 10.588 5.516 -3.450 1.00 0.36 O ATOM 1665 CB CYS B 53 12.270 3.130 -1.780 1.00 0.36 C ATOM 1666 SG CYS B 53 13.891 2.613 -1.170 1.00 1.05 S ATOM 0 H CYS B 53 12.389 4.450 0.278 1.00 0.27 H new ATOM 0 HA CYS B 53 12.816 5.108 -2.416 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.497 2.667 -1.167 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.138 2.756 -2.795 1.00 0.36 H new ATOM 0 HG CYS B 53 13.939 2.768 0.120 1.00 1.05 H new ATOM 1672 N ILE B 54 9.639 4.716 -1.576 1.00 0.26 N ATOM 1673 CA ILE B 54 8.273 5.010 -2.000 1.00 0.29 C ATOM 1674 C ILE B 54 8.097 6.508 -2.229 1.00 0.30 C ATOM 1675 O ILE B 54 7.561 6.931 -3.256 1.00 0.33 O ATOM 1676 CB ILE B 54 7.236 4.535 -0.952 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.409 3.043 -0.658 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.818 4.812 -1.442 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.629 2.565 0.550 1.00 0.33 C ATOM 0 H ILE B 54 9.709 4.288 -0.653 1.00 0.26 H new ATOM 0 HA ILE B 54 8.101 4.470 -2.931 1.00 0.29 H new ATOM 0 HB ILE B 54 7.404 5.092 -0.030 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.095 2.471 -1.531 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.467 2.833 -0.502 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.102 4.472 -0.694 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.692 5.882 -1.605 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.646 4.280 -2.377 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.801 1.499 0.696 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.958 3.110 1.435 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.566 2.742 0.390 1.00 0.33 H new ATOM 1686 N SER B 55 8.576 7.301 -1.278 1.00 0.30 N ATOM 1687 CA SER B 55 8.449 8.751 -1.345 1.00 0.36 C ATOM 1688 C SER B 55 9.074 9.304 -2.627 1.00 0.38 C ATOM 1689 O SER B 55 8.415 10.013 -3.394 1.00 0.41 O ATOM 1690 CB SER B 55 9.100 9.391 -0.117 1.00 0.40 C ATOM 1691 OG SER B 55 8.528 8.889 1.081 1.00 0.80 O ATOM 0 H SER B 55 9.059 6.961 -0.446 1.00 0.30 H new ATOM 0 HA SER B 55 7.388 8.999 -1.357 1.00 0.36 H new ATOM 0 HB2 SER B 55 10.172 9.192 -0.124 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.976 10.473 -0.158 1.00 0.40 H new ATOM 0 HG SER B 55 9.034 8.106 1.382 1.00 0.80 H new ATOM 1697 N GLU B 56 10.328 8.950 -2.878 1.00 0.39 N ATOM 1698 CA GLU B 56 11.044 9.467 -4.036 1.00 0.48 C ATOM 1699 C GLU B 56 10.520 8.844 -5.333 1.00 0.42 C ATOM 1700 O GLU B 56 10.576 9.465 -6.392 1.00 0.45 O ATOM 1701 CB GLU B 56 12.545 9.205 -3.893 1.00 0.59 C ATOM 1702 CG GLU B 56 13.390 9.893 -4.955 1.00 0.82 C ATOM 1703 CD GLU B 56 13.273 11.403 -4.910 1.00 1.81 C ATOM 1704 OE1 GLU B 56 14.039 12.040 -4.155 1.00 2.66 O ATOM 1705 OE2 GLU B 56 12.419 11.965 -5.628 1.00 2.38 O ATOM 0 H GLU B 56 10.868 8.309 -2.297 1.00 0.39 H new ATOM 0 HA GLU B 56 10.875 10.543 -4.084 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.871 9.540 -2.908 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.723 8.131 -3.939 1.00 0.59 H new ATOM 0 HG2 GLU B 56 14.434 9.610 -4.822 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.087 9.539 -5.940 1.00 0.82 H new ATOM 1712 N ALA B 57 10.008 7.621 -5.244 1.00 0.38 N ATOM 1713 CA ALA B 57 9.480 6.927 -6.414 1.00 0.39 C ATOM 1714 C ALA B 57 8.239 7.623 -6.955 1.00 0.33 C ATOM 1715 O ALA B 57 8.122 7.861 -8.157 1.00 0.38 O ATOM 1716 CB ALA B 57 9.159 5.477 -6.078 1.00 0.41 C ATOM 0 H ALA B 57 9.947 7.090 -4.375 1.00 0.38 H new ATOM 0 HA ALA B 57 10.249 6.950 -7.186 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.767 4.977 -6.963 1.00 0.41 H new ATOM 0 HB2 ALA B 57 10.066 4.971 -5.747 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.414 5.444 -5.283 1.00 0.41 H new ATOM 1722 N PHE B 58 7.317 7.950 -6.063 1.00 0.28 N ATOM 1723 CA PHE B 58 6.077 8.598 -6.459 1.00 0.27 C ATOM 1724 C PHE B 58 6.267 10.103 -6.603 1.00 0.30 C ATOM 1725 O PHE B 58 5.496 10.771 -7.287 1.00 0.38 O ATOM 1726 CB PHE B 58 4.969 8.293 -5.454 1.00 0.27 C ATOM 1727 CG PHE B 58 4.503 6.863 -5.476 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.287 5.851 -4.946 1.00 1.18 C ATOM 1729 CD2 PHE B 58 3.275 6.535 -6.017 1.00 1.24 C ATOM 1730 CE1 PHE B 58 4.853 4.542 -4.956 1.00 1.22 C ATOM 1731 CE2 PHE B 58 2.834 5.226 -6.031 1.00 1.21 C ATOM 1732 CZ PHE B 58 3.625 4.229 -5.499 1.00 0.29 C ATOM 0 H PHE B 58 7.404 7.778 -5.061 1.00 0.28 H new ATOM 0 HA PHE B 58 5.784 8.200 -7.431 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.324 8.534 -4.452 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.119 8.945 -5.656 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.250 6.090 -4.520 1.00 1.18 H new ATOM 0 HD2 PHE B 58 2.652 7.312 -6.434 1.00 1.24 H new ATOM 0 HE1 PHE B 58 5.474 3.763 -4.539 1.00 1.22 H new ATOM 0 HE2 PHE B 58 1.872 4.984 -6.458 1.00 1.21 H new ATOM 0 HZ PHE B 58 3.283 3.205 -5.508 1.00 0.29 H new ATOM 1742 N GLY B 59 7.298 10.626 -5.952 1.00 0.33 N ATOM 1743 CA GLY B 59 7.645 12.025 -6.110 1.00 0.38 C ATOM 1744 C GLY B 59 7.014 12.916 -5.061 1.00 0.37 C ATOM 1745 O GLY B 59 6.540 14.008 -5.374 1.00 0.42 O ATOM 0 H GLY B 59 7.901 10.105 -5.316 1.00 0.33 H new ATOM 0 HA2 GLY B 59 8.729 12.132 -6.064 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.333 12.361 -7.099 1.00 0.38 H new ATOM 1749 N PHE B 60 7.009 12.466 -3.816 1.00 0.35 N ATOM 1750 CA PHE B 60 6.461 13.263 -2.727 1.00 0.39 C ATOM 1751 C PHE B 60 7.368 13.175 -1.508 1.00 0.39 C ATOM 1752 O PHE B 60 8.119 12.214 -1.352 1.00 0.42 O ATOM 1753 CB PHE B 60 5.035 12.808 -2.375 1.00 0.40 C ATOM 1754 CG PHE B 60 4.952 11.488 -1.656 1.00 0.30 C ATOM 1755 CD1 PHE B 60 5.092 10.297 -2.343 1.00 1.21 C ATOM 1756 CD2 PHE B 60 4.718 11.445 -0.289 1.00 1.19 C ATOM 1757 CE1 PHE B 60 5.003 9.085 -1.683 1.00 1.19 C ATOM 1758 CE2 PHE B 60 4.631 10.237 0.376 1.00 1.23 C ATOM 1759 CZ PHE B 60 4.774 9.056 -0.322 1.00 0.33 C ATOM 0 H PHE B 60 7.376 11.557 -3.534 1.00 0.35 H new ATOM 0 HA PHE B 60 6.409 14.302 -3.052 1.00 0.39 H new ATOM 0 HB2 PHE B 60 4.567 13.573 -1.755 1.00 0.40 H new ATOM 0 HB3 PHE B 60 4.453 12.742 -3.294 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.273 10.313 -3.408 1.00 1.21 H new ATOM 0 HD2 PHE B 60 4.602 12.367 0.262 1.00 1.19 H new ATOM 0 HE1 PHE B 60 5.113 8.162 -2.232 1.00 1.19 H new ATOM 0 HE2 PHE B 60 4.451 10.218 1.441 1.00 1.23 H new ATOM 0 HZ PHE B 60 4.707 8.110 0.195 1.00 0.33 H new ATOM 1769 N GLU B 61 7.305 14.188 -0.659 1.00 0.47 N ATOM 1770 CA GLU B 61 8.116 14.222 0.547 1.00 0.55 C ATOM 1771 C GLU B 61 7.406 13.500 1.683 1.00 0.50 C ATOM 1772 O GLU B 61 6.181 13.544 1.796 1.00 0.47 O ATOM 1773 CB GLU B 61 8.418 15.668 0.946 1.00 0.70 C ATOM 1774 CG GLU B 61 9.201 16.434 -0.105 1.00 0.80 C ATOM 1775 CD GLU B 61 9.610 17.816 0.357 1.00 1.48 C ATOM 1776 OE1 GLU B 61 10.702 17.952 0.945 1.00 2.06 O ATOM 1777 OE2 GLU B 61 8.846 18.779 0.126 1.00 2.33 O ATOM 0 H GLU B 61 6.699 14.999 -0.783 1.00 0.47 H new ATOM 0 HA GLU B 61 9.058 13.713 0.345 1.00 0.55 H new ATOM 0 HB2 GLU B 61 7.479 16.187 1.139 1.00 0.70 H new ATOM 0 HB3 GLU B 61 8.980 15.669 1.880 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.093 15.867 -0.372 1.00 0.80 H new ATOM 0 HG3 GLU B 61 8.597 16.522 -1.008 1.00 0.80 H new ATOM 1784 N ARG B 62 8.195 12.844 2.525 1.00 0.53 N ATOM 1785 CA ARG B 62 7.675 12.027 3.619 1.00 0.53 C ATOM 1786 C ARG B 62 6.943 12.884 4.644 1.00 0.52 C ATOM 1787 O ARG B 62 6.112 12.388 5.397 1.00 0.64 O ATOM 1788 CB ARG B 62 8.825 11.274 4.297 1.00 0.62 C ATOM 1789 CG ARG B 62 8.370 10.179 5.250 1.00 1.40 C ATOM 1790 CD ARG B 62 9.525 9.640 6.086 1.00 1.46 C ATOM 1791 NE ARG B 62 10.659 9.212 5.266 1.00 2.25 N ATOM 1792 CZ ARG B 62 11.573 8.318 5.653 1.00 2.60 C ATOM 1793 NH1 ARG B 62 11.460 7.700 6.823 1.00 2.13 N ATOM 1794 NH2 ARG B 62 12.594 8.028 4.858 1.00 3.67 N ATOM 0 H ARG B 62 9.213 12.862 2.470 1.00 0.53 H new ATOM 0 HA ARG B 62 6.965 11.312 3.203 1.00 0.53 H new ATOM 0 HB2 ARG B 62 9.460 10.832 3.529 1.00 0.62 H new ATOM 0 HB3 ARG B 62 9.439 11.988 4.846 1.00 0.62 H new ATOM 0 HG2 ARG B 62 7.595 10.570 5.910 1.00 1.40 H new ATOM 0 HG3 ARG B 62 7.922 9.364 4.681 1.00 1.40 H new ATOM 0 HD2 ARG B 62 9.855 10.410 6.783 1.00 1.46 H new ATOM 0 HD3 ARG B 62 9.175 8.798 6.684 1.00 1.46 H new ATOM 0 HE ARG B 62 10.758 9.623 4.338 1.00 2.25 H new ATOM 0 HH11 ARG B 62 10.670 7.906 7.435 1.00 2.13 H new ATOM 0 HH12 ARG B 62 12.163 7.019 7.110 1.00 2.13 H new ATOM 0 HH21 ARG B 62 12.681 8.488 3.952 1.00 3.67 H new ATOM 0 HH22 ARG B 62 13.292 7.345 5.153 1.00 3.67 H new ATOM 1808 N GLU B 63 7.246 14.173 4.661 1.00 0.57 N ATOM 1809 CA GLU B 63 6.595 15.092 5.583 1.00 0.63 C ATOM 1810 C GLU B 63 5.305 15.649 4.979 1.00 0.62 C ATOM 1811 O GLU B 63 4.607 16.448 5.604 1.00 0.74 O ATOM 1812 CB GLU B 63 7.560 16.221 5.973 1.00 0.73 C ATOM 1813 CG GLU B 63 8.090 17.042 4.802 1.00 1.69 C ATOM 1814 CD GLU B 63 7.160 18.170 4.402 1.00 2.52 C ATOM 1815 OE1 GLU B 63 7.078 19.167 5.150 1.00 3.19 O ATOM 1816 OE2 GLU B 63 6.504 18.067 3.348 1.00 3.12 O ATOM 0 H GLU B 63 7.937 14.606 4.048 1.00 0.57 H new ATOM 0 HA GLU B 63 6.324 14.546 6.487 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.052 16.890 6.667 1.00 0.73 H new ATOM 0 HB3 GLU B 63 8.406 15.789 6.508 1.00 0.73 H new ATOM 0 HG2 GLU B 63 9.063 17.457 5.067 1.00 1.69 H new ATOM 0 HG3 GLU B 63 8.246 16.386 3.946 1.00 1.69 H new ATOM 1823 N ALA B 64 4.990 15.212 3.765 1.00 0.55 N ATOM 1824 CA ALA B 64 3.808 15.691 3.065 1.00 0.59 C ATOM 1825 C ALA B 64 2.710 14.634 3.042 1.00 0.53 C ATOM 1826 O ALA B 64 1.631 14.865 2.497 1.00 0.56 O ATOM 1827 CB ALA B 64 4.168 16.108 1.648 1.00 0.66 C ATOM 0 H ALA B 64 5.538 14.526 3.246 1.00 0.55 H new ATOM 0 HA ALA B 64 3.427 16.558 3.605 1.00 0.59 H new ATOM 0 HB1 ALA B 64 3.274 16.464 1.135 1.00 0.66 H new ATOM 0 HB2 ALA B 64 4.910 16.906 1.681 1.00 0.66 H new ATOM 0 HB3 ALA B 64 4.578 15.253 1.110 1.00 0.66 H new ATOM 1833 N VAL B 65 2.981 13.477 3.643 1.00 0.50 N ATOM 1834 CA VAL B 65 2.013 12.386 3.669 1.00 0.46 C ATOM 1835 C VAL B 65 0.720 12.808 4.370 1.00 0.52 C ATOM 1836 O VAL B 65 -0.376 12.517 3.889 1.00 0.53 O ATOM 1837 CB VAL B 65 2.595 11.114 4.334 1.00 0.46 C ATOM 1838 CG1 VAL B 65 3.216 11.421 5.683 1.00 0.51 C ATOM 1839 CG2 VAL B 65 1.530 10.039 4.484 1.00 0.50 C ATOM 0 H VAL B 65 3.861 13.273 4.117 1.00 0.50 H new ATOM 0 HA VAL B 65 1.781 12.145 2.632 1.00 0.46 H new ATOM 0 HB VAL B 65 3.380 10.741 3.676 1.00 0.46 H new ATOM 0 HG11 VAL B 65 3.613 10.504 6.118 1.00 0.51 H new ATOM 0 HG12 VAL B 65 4.024 12.142 5.556 1.00 0.51 H new ATOM 0 HG13 VAL B 65 2.458 11.838 6.346 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.966 9.157 4.954 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.717 10.416 5.105 1.00 0.50 H new ATOM 0 HG23 VAL B 65 1.142 9.772 3.501 1.00 0.50 H new ATOM 1843 N SER B 66 0.847 13.523 5.484 1.00 0.62 N ATOM 1844 CA SER B 66 -0.318 14.005 6.212 1.00 0.74 C ATOM 1845 C SER B 66 -1.077 15.027 5.369 1.00 0.75 C ATOM 1846 O SER B 66 -2.296 15.171 5.485 1.00 0.83 O ATOM 1847 CB SER B 66 0.107 14.621 7.550 1.00 0.88 C ATOM 1848 OG SER B 66 -1.018 14.978 8.337 1.00 1.63 O ATOM 0 H SER B 66 1.742 13.780 5.900 1.00 0.62 H new ATOM 0 HA SER B 66 -0.979 13.162 6.416 1.00 0.74 H new ATOM 0 HB2 SER B 66 0.726 13.911 8.099 1.00 0.88 H new ATOM 0 HB3 SER B 66 0.720 15.504 7.367 1.00 0.88 H new ATOM 0 HG SER B 66 -0.715 15.366 9.184 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.345 15.731 4.514 1.00 0.71 N ATOM 1855 CA GLY B 67 -0.955 16.695 3.627 1.00 0.74 C ATOM 1856 C GLY B 67 -1.763 16.031 2.538 1.00 0.69 C ATOM 1857 O GLY B 67 -2.903 16.409 2.292 1.00 0.74 O ATOM 0 H GLY B 67 0.667 15.648 4.421 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.599 17.360 4.202 1.00 0.74 H new ATOM 0 HA3 GLY B 67 -0.179 17.314 3.176 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.175 15.028 1.896 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.849 14.291 0.831 1.00 0.58 C ATOM 1863 C ILE B 68 -3.112 13.605 1.356 1.00 0.62 C ATOM 1864 O ILE B 68 -4.164 13.636 0.713 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.911 13.237 0.203 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.350 13.913 -0.348 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.626 12.464 -0.899 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.352 12.944 -0.939 1.00 0.45 C ATOM 0 H ILE B 68 -0.228 14.705 2.095 1.00 0.61 H new ATOM 0 HA ILE B 68 -2.130 15.012 0.064 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.619 12.529 0.979 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.060 14.634 -1.113 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.830 14.474 0.453 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.946 11.727 -1.327 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.495 11.956 -0.482 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.949 13.155 -1.678 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.217 13.495 -1.308 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.672 12.238 -0.172 1.00 0.45 H new ATOM 0 HD13 ILE B 68 0.890 12.400 -1.763 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.013 13.028 2.548 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.139 12.328 3.160 1.00 0.66 C ATOM 1877 C LEU B 69 -5.184 13.311 3.684 1.00 0.84 C ATOM 1878 O LEU B 69 -6.231 12.915 4.196 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.641 11.427 4.289 1.00 0.61 C ATOM 1880 CG LEU B 69 -2.636 10.363 3.853 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.189 9.528 5.039 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.234 9.480 2.766 1.00 0.45 C ATOM 0 H LEU B 69 -2.163 13.031 3.112 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.615 11.713 2.396 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.182 12.049 5.058 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.498 10.933 4.748 1.00 0.61 H new ATOM 0 HG LEU B 69 -1.759 10.865 3.444 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.473 8.776 4.706 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -1.719 10.173 5.781 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.053 9.034 5.483 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -2.505 8.727 2.467 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.128 8.987 3.148 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.498 10.093 1.904 1.00 0.45 H new ATOM 1894 N GLY B 70 -4.882 14.592 3.559 1.00 0.79 N ATOM 1895 CA GLY B 70 -5.835 15.627 3.881 1.00 0.93 C ATOM 1896 C GLY B 70 -5.995 16.574 2.716 1.00 0.98 C ATOM 1897 O GLY B 70 -6.359 17.737 2.880 1.00 1.24 O ATOM 0 H GLY B 70 -3.978 14.936 3.235 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.797 15.180 4.130 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -5.502 16.176 4.762 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.704 16.063 1.529 1.00 0.86 N ATOM 1902 CA LYS B 71 -5.718 16.864 0.317 1.00 0.97 C ATOM 1903 C LYS B 71 -6.900 16.482 -0.562 1.00 0.98 C ATOM 1904 O LYS B 71 -7.806 17.285 -0.779 1.00 1.25 O ATOM 1905 CB LYS B 71 -4.400 16.664 -0.433 1.00 1.11 C ATOM 1906 CG LYS B 71 -4.204 17.574 -1.631 1.00 1.68 C ATOM 1907 CD LYS B 71 -2.821 17.372 -2.226 1.00 2.11 C ATOM 1908 CE LYS B 71 -2.594 18.242 -3.447 1.00 2.60 C ATOM 1909 NZ LYS B 71 -1.244 18.026 -4.029 1.00 3.15 N ATOM 0 H LYS B 71 -5.453 15.086 1.380 1.00 0.86 H new ATOM 0 HA LYS B 71 -5.825 17.916 0.581 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -3.575 16.820 0.263 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -4.343 15.628 -0.768 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -4.965 17.365 -2.383 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -4.330 18.614 -1.331 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -2.066 17.600 -1.473 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -2.693 16.324 -2.499 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -3.354 18.022 -4.197 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -2.710 19.291 -3.174 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -1.123 18.637 -4.862 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -0.519 18.259 -3.321 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -1.143 17.030 -4.312 1.00 3.15 H new ATOM 1923 N SER B 72 -6.895 15.252 -1.055 1.00 0.91 N ATOM 1924 CA SER B 72 -7.976 14.773 -1.900 1.00 1.08 C ATOM 1925 C SER B 72 -9.104 14.193 -1.050 1.00 1.03 C ATOM 1926 O SER B 72 -10.158 14.810 -0.891 1.00 1.20 O ATOM 1927 CB SER B 72 -7.453 13.720 -2.875 1.00 1.29 C ATOM 1928 OG SER B 72 -6.339 14.208 -3.601 1.00 2.02 O ATOM 0 H SER B 72 -6.156 14.570 -0.884 1.00 0.91 H new ATOM 0 HA SER B 72 -8.371 15.615 -2.469 1.00 1.08 H new ATOM 0 HB2 SER B 72 -7.169 12.821 -2.327 1.00 1.29 H new ATOM 0 HB3 SER B 72 -8.245 13.435 -3.567 1.00 1.29 H new ATOM 0 HG SER B 72 -5.512 13.955 -3.140 1.00 2.02 H new ATOM 1934 N GLU B 73 -8.863 13.016 -0.490 1.00 1.12 N ATOM 1935 CA GLU B 73 -9.850 12.334 0.327 1.00 1.30 C ATOM 1936 C GLU B 73 -9.159 11.293 1.203 1.00 1.26 C ATOM 1937 O GLU B 73 -7.991 11.466 1.548 1.00 1.86 O ATOM 1938 CB GLU B 73 -10.931 11.701 -0.555 1.00 1.67 C ATOM 1939 CG GLU B 73 -10.398 10.732 -1.590 1.00 1.87 C ATOM 1940 CD GLU B 73 -11.463 10.313 -2.581 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.629 10.141 -2.174 1.00 2.64 O ATOM 1942 OE2 GLU B 73 -11.154 10.187 -3.780 1.00 2.46 O ATOM 0 H GLU B 73 -7.982 12.511 -0.590 1.00 1.12 H new ATOM 0 HA GLU B 73 -10.343 13.056 0.978 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -11.644 11.179 0.082 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -11.479 12.494 -1.064 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -9.568 11.194 -2.125 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -10.002 9.849 -1.089 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.882 10.226 1.555 1.00 1.03 N ATOM 1950 CA PHE B 74 -9.382 9.202 2.476 1.00 1.02 C ATOM 1951 C PHE B 74 -9.216 9.831 3.849 1.00 1.07 C ATOM 1952 O PHE B 74 -8.249 9.579 4.570 1.00 1.44 O ATOM 1953 CB PHE B 74 -8.053 8.594 1.992 1.00 0.94 C ATOM 1954 CG PHE B 74 -8.107 8.025 0.599 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -8.943 6.961 0.300 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -7.315 8.551 -0.411 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -8.991 6.435 -0.977 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -7.358 8.028 -1.690 1.00 1.25 C ATOM 1959 CZ PHE B 74 -8.198 6.970 -1.973 1.00 1.19 C ATOM 0 H PHE B 74 -10.826 10.048 1.211 1.00 1.03 H new ATOM 0 HA PHE B 74 -10.101 8.384 2.521 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -7.280 9.362 2.029 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.754 7.806 2.683 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.565 6.537 1.075 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.657 9.379 -0.196 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -9.648 5.606 -1.196 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -6.735 8.447 -2.467 1.00 1.25 H new ATOM 0 HZ PHE B 74 -8.235 6.561 -2.972 1.00 1.19 H new ATOM 2015 N HIS B 78 -7.394 4.583 7.193 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.057 4.288 6.705 1.00 0.85 C ATOM 2017 C HIS B 78 -6.157 3.241 5.610 1.00 0.69 C ATOM 2018 O HIS B 78 -7.255 2.775 5.305 1.00 0.68 O ATOM 2019 CB HIS B 78 -5.157 3.771 7.834 1.00 1.02 C ATOM 2020 CG HIS B 78 -5.161 4.627 9.063 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -6.034 4.424 10.107 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -4.393 5.685 9.416 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -5.805 5.318 11.050 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -4.814 6.096 10.656 1.00 1.85 N ATOM 0 HA HIS B 78 -5.613 5.204 6.315 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -5.475 2.764 8.105 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -4.135 3.693 7.462 1.00 1.02 H new ATOM 0 HD1 HIS B 78 -6.747 3.696 10.146 1.00 1.50 H new ATOM 0 HD2 HIS B 78 -3.598 6.123 8.831 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -6.338 5.399 11.986 1.00 1.95 H new ATOM 2033 N LEU B 79 -5.026 2.858 5.035 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.022 1.875 3.960 1.00 0.46 C ATOM 2035 C LEU B 79 -5.707 0.584 4.406 1.00 0.44 C ATOM 2036 O LEU B 79 -6.565 0.050 3.707 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.592 1.571 3.511 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.488 0.719 2.249 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -3.993 1.497 1.047 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.058 0.259 2.027 1.00 0.41 C ATOM 0 H LEU B 79 -4.104 3.210 5.293 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.574 2.296 3.120 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.071 2.513 3.341 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.072 1.061 4.322 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.112 -0.166 2.377 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -3.913 0.878 0.153 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.035 1.774 1.205 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.393 2.398 0.919 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.007 -0.347 1.122 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.409 1.128 1.919 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.730 -0.335 2.880 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.344 0.107 5.588 1.00 0.50 N ATOM 2053 CA ALA B 80 -5.890 -1.137 6.109 1.00 0.54 C ATOM 2054 C ALA B 80 -7.383 -1.023 6.387 1.00 0.58 C ATOM 2055 O ALA B 80 -8.133 -1.963 6.138 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.145 -1.549 7.360 1.00 0.63 C ATOM 0 H ALA B 80 -4.672 0.564 6.205 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.758 -1.906 5.348 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.562 -2.481 7.741 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.090 -1.693 7.125 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.245 -0.770 8.116 1.00 0.63 H new ATOM 2062 N ASP B 81 -7.812 0.131 6.894 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.234 0.382 7.134 1.00 0.70 C ATOM 2064 C ASP B 81 -10.004 0.255 5.827 1.00 0.60 C ATOM 2065 O ASP B 81 -11.073 -0.355 5.769 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.462 1.783 7.713 1.00 0.78 C ATOM 2067 CG ASP B 81 -8.842 1.983 9.078 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -9.482 1.627 10.089 1.00 2.06 O ATOM 2069 OD2 ASP B 81 -7.721 2.524 9.149 1.00 2.30 O ATOM 0 H ASP B 81 -7.198 0.906 7.146 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.588 -0.355 7.855 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.052 2.522 7.025 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -10.534 1.969 7.779 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.435 0.840 4.784 1.00 0.50 N ATOM 2075 CA ILE B 82 -9.998 0.781 3.445 1.00 0.44 C ATOM 2076 C ILE B 82 -10.118 -0.663 2.958 1.00 0.48 C ATOM 2077 O ILE B 82 -11.192 -1.105 2.552 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.118 1.586 2.465 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.222 3.080 2.774 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.502 1.303 1.023 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.283 3.934 1.951 1.00 0.61 C ATOM 0 H ILE B 82 -8.566 1.371 4.843 1.00 0.50 H new ATOM 0 HA ILE B 82 -10.997 1.216 3.482 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.082 1.273 2.596 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.246 3.409 2.599 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.012 3.239 3.832 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -8.865 1.884 0.356 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.373 0.241 0.814 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.544 1.580 0.863 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.411 4.982 2.223 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.253 3.632 2.144 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.507 3.804 0.892 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.013 -1.393 3.023 1.00 0.44 N ATOM 2089 CA LEU B 83 -8.971 -2.770 2.544 1.00 0.52 C ATOM 2090 C LEU B 83 -9.864 -3.681 3.377 1.00 0.69 C ATOM 2091 O LEU B 83 -10.393 -4.666 2.875 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.535 -3.298 2.553 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.701 -2.973 1.308 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.620 -1.473 1.067 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.311 -3.555 1.456 1.00 0.43 C ATOM 0 H LEU B 83 -8.130 -1.054 3.404 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.347 -2.771 1.521 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.024 -2.893 3.426 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.566 -4.381 2.675 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.192 -3.421 0.444 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.022 -1.279 0.177 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.624 -1.073 0.924 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.157 -0.991 1.928 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.722 -3.321 0.569 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -4.829 -3.127 2.335 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.380 -4.637 1.571 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.038 -3.344 4.646 1.00 0.74 N ATOM 2108 CA ASN B 84 -10.878 -4.140 5.531 1.00 0.94 C ATOM 2109 C ASN B 84 -12.349 -3.947 5.177 1.00 0.97 C ATOM 2110 O ASN B 84 -13.194 -4.789 5.487 1.00 1.14 O ATOM 2111 CB ASN B 84 -10.627 -3.762 6.994 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.194 -4.785 7.960 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -10.537 -5.777 8.278 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -12.403 -4.550 8.443 1.00 1.79 N ATOM 0 H ASN B 84 -9.611 -2.529 5.086 1.00 0.74 H new ATOM 0 HA ASN B 84 -10.622 -5.191 5.399 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -9.555 -3.663 7.162 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.073 -2.788 7.197 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -12.824 -5.203 9.104 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -12.914 -3.716 8.154 1.00 1.79 H new ATOM 2121 N SER B 85 -12.647 -2.833 4.521 1.00 0.87 N ATOM 2122 CA SER B 85 -14.000 -2.545 4.075 1.00 0.93 C ATOM 2123 C SER B 85 -14.274 -3.247 2.745 1.00 0.91 C ATOM 2124 O SER B 85 -15.417 -3.571 2.424 1.00 1.01 O ATOM 2125 CB SER B 85 -14.199 -1.031 3.936 1.00 0.97 C ATOM 2126 OG SER B 85 -15.552 -0.707 3.658 1.00 1.50 O ATOM 0 H SER B 85 -11.965 -2.112 4.286 1.00 0.87 H new ATOM 0 HA SER B 85 -14.705 -2.919 4.817 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.887 -0.536 4.856 1.00 0.97 H new ATOM 0 HB3 SER B 85 -13.562 -0.651 3.138 1.00 0.97 H new ATOM 0 HG SER B 85 -15.646 0.265 3.577 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.215 -3.485 1.980 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.327 -4.201 0.718 1.00 0.95 C ATOM 2134 C ALA B 86 -13.335 -5.702 0.974 1.00 1.14 C ATOM 2135 O ALA B 86 -12.578 -6.199 1.805 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.184 -3.824 -0.213 1.00 1.09 C ATOM 0 H ALA B 86 -12.267 -3.191 2.214 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.264 -3.921 0.236 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.284 -4.369 -1.152 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.214 -2.752 -0.411 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.234 -4.080 0.255 1.00 1.09 H new