USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1228 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 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 90 HIS : no HD1:sc= -0.595 X(o=-0.59,f=-0.87) USER MOD Set 2.1: B 38 THR OG1 : rot 180:sc= -0.325 USER MOD Set 2.2: B 49 LYS NZ :NH3+ 152:sc= -0.783 (180deg=-1.93!) USER MOD Set 3.1: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 90 HIS : no HD1:sc= -0.645 X(o=-0.64,f=-0.94) USER MOD Set 4.1: A 83 LYS NZ :NH3+ 179:sc= 0.93 (180deg=0) USER MOD Set 4.2: B 72 GLN : amide:sc= 0.811 K(o=1.7,f=-1.9) USER MOD Set 5.1: A 72 GLN : amide:sc= 0.748 K(o=1.6,f=-1.4) USER MOD Set 5.2: B 83 LYS NZ :NH3+ -178:sc= 0.822 (180deg=-0.00315) USER MOD Set 6.1: A 38 THR OG1 : rot 170:sc= -0.333 USER MOD Set 6.2: A 49 LYS NZ :NH3+ 151:sc= -0.818 (180deg=-1.82!) USER MOD Single : A 7 HIS : no HD1:sc= 0.0633 K(o=0.063,f=-7.6!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.893 K(o=-0.89,f=-0.0049) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 30 LYS NZ :NH3+ 146:sc= -0.247 (180deg=-2.86!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 144:sc= -0.798 (180deg=-2.29!) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 44 THR OG1 : rot 150:sc= -0.212 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.0663 K(o=0.066,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= -0.157 (180deg=-0.623) USER MOD Single : A 59 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.16) USER MOD Single : A 64 ASN : amide:sc= 0.815 K(o=0.82,f=-0.024) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 76 SER OG : rot 38:sc= 1.29 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 0.665 K(o=0.67,f=-5.2!) USER MOD Single : B 7 HIS : no HD1:sc= 0.0129 K(o=0.013,f=-7.5!) USER MOD Single : B 13 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : B 16 HIS : no HD1:sc=-0.00274 X(o=-0.0027,f=-0.022) USER MOD Single : B 17 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.0015) USER MOD Single : B 29 SER OG : rot 180:sc= 0.00824 USER MOD Single : B 30 LYS NZ :NH3+ 143:sc= -0.208 (180deg=-2.8!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 LYS NZ :NH3+ 146:sc= -0.8 (180deg=-2.34!) USER MOD Single : B 43 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 44 THR OG1 : rot -150:sc= -0.251 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 ASN : amide:sc= 0.0632 K(o=0.063,f=-1.5) USER MOD Single : B 51 LYS NZ :NH3+ -161:sc= -0.164 (180deg=-0.667) USER MOD Single : B 59 GLN : amide:sc= -0.525 X(o=-0.53,f=-0.18) USER MOD Single : B 64 ASN : amide:sc= 0.919 K(o=0.92,f=-0.023) USER MOD Single : B 65 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 76 SER OG : rot 44:sc= 1.3 USER MOD Single : B 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 0.58 K(o=0.58,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -5.065 7.010 9.844 1.00 1.20 N ATOM 76 CA GLU A 5 -3.788 7.399 9.218 1.00 0.93 C ATOM 77 C GLU A 5 -2.620 6.453 9.545 1.00 0.69 C ATOM 78 O GLU A 5 -1.706 6.315 8.737 1.00 0.68 O ATOM 79 CB GLU A 5 -3.411 8.828 9.622 1.00 1.39 C ATOM 80 CG GLU A 5 -4.452 9.872 9.245 1.00 1.80 C ATOM 81 CD GLU A 5 -4.150 11.226 9.846 1.00 2.48 C ATOM 82 OE1 GLU A 5 -3.244 11.919 9.338 1.00 3.00 O ATOM 83 OE2 GLU A 5 -4.803 11.600 10.842 1.00 3.10 O ATOM 0 HA GLU A 5 -3.954 7.335 8.143 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -3.253 8.860 10.700 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -2.463 9.089 9.153 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -4.498 9.961 8.160 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -5.435 9.539 9.579 1.00 1.80 H new ATOM 90 N GLU A 6 -2.672 5.784 10.696 1.00 0.68 N ATOM 91 CA GLU A 6 -1.533 5.024 11.236 1.00 0.67 C ATOM 92 C GLU A 6 -0.943 4.030 10.227 1.00 0.54 C ATOM 93 O GLU A 6 0.260 3.803 10.202 1.00 0.60 O ATOM 94 CB GLU A 6 -1.968 4.277 12.501 1.00 0.78 C ATOM 95 CG GLU A 6 -0.831 3.587 13.238 1.00 1.07 C ATOM 96 CD GLU A 6 0.159 4.565 13.838 1.00 1.79 C ATOM 97 OE1 GLU A 6 -0.101 5.067 14.951 1.00 2.51 O ATOM 98 OE2 GLU A 6 1.203 4.827 13.208 1.00 2.48 O ATOM 0 H GLU A 6 -3.504 5.750 11.285 1.00 0.68 H new ATOM 0 HA GLU A 6 -0.749 5.745 11.468 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -2.450 4.982 13.178 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -2.716 3.532 12.231 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -1.244 2.963 14.030 1.00 1.07 H new ATOM 0 HG3 GLU A 6 -0.308 2.924 12.550 1.00 1.07 H new ATOM 105 N HIS A 7 -1.784 3.450 9.391 1.00 0.42 N ATOM 106 CA HIS A 7 -1.327 2.442 8.437 1.00 0.38 C ATOM 107 C HIS A 7 -0.636 3.078 7.228 1.00 0.35 C ATOM 108 O HIS A 7 0.333 2.536 6.704 1.00 0.39 O ATOM 109 CB HIS A 7 -2.482 1.525 7.991 1.00 0.43 C ATOM 110 CG HIS A 7 -3.838 2.176 7.959 1.00 0.95 C ATOM 111 ND1 HIS A 7 -4.362 2.802 6.847 1.00 1.73 N ATOM 112 CD2 HIS A 7 -4.785 2.277 8.924 1.00 1.60 C ATOM 113 CE1 HIS A 7 -5.571 3.263 7.135 1.00 2.16 C ATOM 114 NE2 HIS A 7 -5.846 2.955 8.386 1.00 2.03 N ATOM 0 H HIS A 7 -2.782 3.654 9.349 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.589 1.826 8.952 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.257 1.141 6.996 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -2.524 0.667 8.662 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -4.715 1.893 9.931 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -6.220 3.800 6.459 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -6.711 3.185 8.875 1.00 2.03 H new ATOM 123 N LEU A 8 -1.118 4.240 6.812 1.00 0.34 N ATOM 124 CA LEU A 8 -0.556 4.936 5.656 1.00 0.32 C ATOM 125 C LEU A 8 0.655 5.750 6.080 1.00 0.33 C ATOM 126 O LEU A 8 1.750 5.588 5.540 1.00 0.33 O ATOM 127 CB LEU A 8 -1.610 5.847 5.043 1.00 0.33 C ATOM 128 CG LEU A 8 -2.916 5.142 4.696 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.901 6.113 4.096 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.665 3.975 3.750 1.00 0.33 C ATOM 0 H LEU A 8 -1.898 4.724 7.256 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.244 4.203 4.912 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.822 6.659 5.738 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.202 6.299 4.139 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.345 4.746 5.617 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.827 5.590 3.855 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.109 6.909 4.811 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.480 6.543 3.187 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.611 3.486 3.516 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.209 4.343 2.831 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.995 3.259 4.225 1.00 0.33 H new ATOM 142 N GLU A 9 0.446 6.610 7.072 1.00 0.37 N ATOM 143 CA GLU A 9 1.518 7.403 7.651 1.00 0.40 C ATOM 144 C GLU A 9 2.580 6.498 8.257 1.00 0.40 C ATOM 145 O GLU A 9 3.750 6.864 8.333 1.00 0.42 O ATOM 146 CB GLU A 9 0.961 8.338 8.724 1.00 0.47 C ATOM 147 CG GLU A 9 0.400 9.636 8.177 1.00 1.24 C ATOM 148 CD GLU A 9 1.490 10.566 7.693 1.00 1.72 C ATOM 149 OE1 GLU A 9 2.282 11.045 8.535 1.00 2.41 O ATOM 150 OE2 GLU A 9 1.565 10.829 6.481 1.00 2.17 O ATOM 0 H GLU A 9 -0.468 6.774 7.494 1.00 0.37 H new ATOM 0 HA GLU A 9 1.973 7.999 6.860 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.177 7.818 9.274 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.752 8.568 9.438 1.00 0.47 H new ATOM 0 HG2 GLU A 9 -0.282 9.418 7.355 1.00 1.24 H new ATOM 0 HG3 GLU A 9 -0.183 10.134 8.952 1.00 1.24 H new ATOM 157 N GLY A 10 2.151 5.317 8.682 1.00 0.40 N ATOM 158 CA GLY A 10 3.063 4.336 9.227 1.00 0.43 C ATOM 159 C GLY A 10 4.033 3.834 8.186 1.00 0.39 C ATOM 160 O GLY A 10 5.240 3.859 8.403 1.00 0.44 O ATOM 0 H GLY A 10 1.175 5.021 8.657 1.00 0.40 H new ATOM 0 HA2 GLY A 10 3.616 4.775 10.057 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.496 3.497 9.630 1.00 0.43 H new ATOM 164 N ILE A 11 3.503 3.388 7.050 1.00 0.34 N ATOM 165 CA ILE A 11 4.334 2.967 5.925 1.00 0.33 C ATOM 166 C ILE A 11 5.297 4.081 5.528 1.00 0.33 C ATOM 167 O ILE A 11 6.500 3.856 5.370 1.00 0.38 O ATOM 168 CB ILE A 11 3.466 2.587 4.704 1.00 0.35 C ATOM 169 CG1 ILE A 11 2.788 1.230 4.915 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.296 2.574 3.428 1.00 0.50 C ATOM 171 CD1 ILE A 11 3.752 0.060 4.920 1.00 1.16 C ATOM 0 H ILE A 11 2.500 3.309 6.884 1.00 0.34 H new ATOM 0 HA ILE A 11 4.900 2.091 6.242 1.00 0.33 H new ATOM 0 HB ILE A 11 2.690 3.345 4.599 1.00 0.35 H new ATOM 0 HG12 ILE A 11 2.247 1.247 5.861 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.049 1.077 4.128 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.661 2.304 2.584 1.00 0.50 H new ATOM 0 HG22 ILE A 11 4.721 3.564 3.260 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.101 1.845 3.525 1.00 0.50 H new ATOM 0 HD11 ILE A 11 3.199 -0.866 5.074 1.00 1.16 H new ATOM 0 HD12 ILE A 11 4.275 0.015 3.965 1.00 1.16 H new ATOM 0 HD13 ILE A 11 4.476 0.189 5.725 1.00 1.16 H new ATOM 183 N VAL A 12 4.755 5.282 5.389 1.00 0.33 N ATOM 184 CA VAL A 12 5.539 6.449 5.006 1.00 0.38 C ATOM 185 C VAL A 12 6.654 6.730 6.017 1.00 0.40 C ATOM 186 O VAL A 12 7.801 6.987 5.640 1.00 0.45 O ATOM 187 CB VAL A 12 4.623 7.679 4.854 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.422 8.943 4.609 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.637 7.450 3.722 1.00 0.48 C ATOM 0 H VAL A 12 3.765 5.476 5.537 1.00 0.33 H new ATOM 0 HA VAL A 12 6.010 6.238 4.046 1.00 0.38 H new ATOM 0 HB VAL A 12 4.077 7.812 5.788 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.742 9.789 4.507 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.094 9.117 5.449 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.005 8.833 3.694 1.00 0.57 H new ATOM 0 HG21 VAL A 12 2.992 8.323 3.619 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.182 7.290 2.792 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.028 6.573 3.942 1.00 0.48 H new ATOM 199 N ASN A 13 6.316 6.652 7.299 1.00 0.42 N ATOM 200 CA ASN A 13 7.287 6.863 8.370 1.00 0.48 C ATOM 201 C ASN A 13 8.344 5.765 8.358 1.00 0.48 C ATOM 202 O ASN A 13 9.532 6.028 8.545 1.00 0.58 O ATOM 203 CB ASN A 13 6.580 6.896 9.729 1.00 0.61 C ATOM 204 CG ASN A 13 7.543 7.056 10.891 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.038 6.073 11.441 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.804 8.292 11.282 1.00 1.42 N ATOM 0 H ASN A 13 5.372 6.443 7.625 1.00 0.42 H new ATOM 0 HA ASN A 13 7.779 7.822 8.204 1.00 0.48 H new ATOM 0 HB2 ASN A 13 5.864 7.718 9.741 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.011 5.976 9.859 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.436 8.456 12.066 1.00 1.42 H new ATOM 0 HD22 ASN A 13 7.374 9.081 10.800 1.00 1.42 H new ATOM 213 N ILE A 14 7.900 4.536 8.127 1.00 0.47 N ATOM 214 CA ILE A 14 8.792 3.387 8.053 1.00 0.57 C ATOM 215 C ILE A 14 9.793 3.554 6.914 1.00 0.53 C ATOM 216 O ILE A 14 10.988 3.308 7.088 1.00 0.60 O ATOM 217 CB ILE A 14 7.992 2.069 7.880 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.256 1.716 9.179 1.00 1.33 C ATOM 219 CG2 ILE A 14 8.896 0.921 7.455 1.00 1.14 C ATOM 220 CD1 ILE A 14 8.173 1.511 10.368 1.00 2.06 C ATOM 0 H ILE A 14 6.916 4.309 7.986 1.00 0.47 H new ATOM 0 HA ILE A 14 9.341 3.330 8.993 1.00 0.57 H new ATOM 0 HB ILE A 14 7.258 2.226 7.089 1.00 0.68 H new ATOM 0 HG12 ILE A 14 6.548 2.511 9.412 1.00 1.33 H new ATOM 0 HG13 ILE A 14 6.674 0.808 9.020 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.303 0.013 7.343 1.00 1.14 H new ATOM 0 HG22 ILE A 14 9.370 1.164 6.504 1.00 1.14 H new ATOM 0 HG23 ILE A 14 9.663 0.762 8.213 1.00 1.14 H new ATOM 0 HD11 ILE A 14 7.578 1.265 11.248 1.00 2.06 H new ATOM 0 HD12 ILE A 14 8.865 0.695 10.158 1.00 2.06 H new ATOM 0 HD13 ILE A 14 8.736 2.425 10.555 1.00 2.06 H new ATOM 232 N PHE A 15 9.313 4.000 5.757 1.00 0.48 N ATOM 233 CA PHE A 15 10.191 4.239 4.621 1.00 0.58 C ATOM 234 C PHE A 15 11.221 5.306 4.971 1.00 0.60 C ATOM 235 O PHE A 15 12.412 5.137 4.726 1.00 0.70 O ATOM 236 CB PHE A 15 9.388 4.666 3.391 1.00 0.68 C ATOM 237 CG PHE A 15 10.234 4.887 2.166 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.018 3.864 1.657 1.00 1.93 C ATOM 239 CD2 PHE A 15 10.238 6.113 1.521 1.00 1.74 C ATOM 240 CE1 PHE A 15 11.791 4.059 0.528 1.00 2.54 C ATOM 241 CE2 PHE A 15 11.012 6.314 0.392 1.00 2.35 C ATOM 242 CZ PHE A 15 11.787 5.285 -0.105 1.00 2.57 C ATOM 0 H PHE A 15 8.328 4.201 5.584 1.00 0.48 H new ATOM 0 HA PHE A 15 10.707 3.308 4.386 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.640 3.904 3.173 1.00 0.68 H new ATOM 0 HB3 PHE A 15 8.849 5.585 3.621 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.025 2.902 2.149 1.00 1.93 H new ATOM 0 HD2 PHE A 15 9.631 6.920 1.903 1.00 1.74 H new ATOM 0 HE1 PHE A 15 12.397 3.253 0.142 1.00 2.54 H new ATOM 0 HE2 PHE A 15 11.010 7.275 -0.100 1.00 2.35 H new ATOM 0 HZ PHE A 15 12.389 5.440 -0.988 1.00 2.57 H new ATOM 252 N HIS A 16 10.750 6.390 5.576 1.00 0.59 N ATOM 253 CA HIS A 16 11.616 7.496 5.975 1.00 0.71 C ATOM 254 C HIS A 16 12.636 7.048 7.025 1.00 0.75 C ATOM 255 O HIS A 16 13.683 7.669 7.190 1.00 0.88 O ATOM 256 CB HIS A 16 10.763 8.650 6.518 1.00 0.77 C ATOM 257 CG HIS A 16 11.549 9.852 6.951 1.00 1.15 C ATOM 258 ND1 HIS A 16 11.535 10.333 8.241 1.00 1.82 N ATOM 259 CD2 HIS A 16 12.367 10.674 6.256 1.00 1.84 C ATOM 260 CE1 HIS A 16 12.305 11.398 8.320 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.823 11.626 7.129 1.00 2.23 N ATOM 0 H HIS A 16 9.765 6.528 5.803 1.00 0.59 H new ATOM 0 HA HIS A 16 12.168 7.837 5.099 1.00 0.71 H new ATOM 0 HB2 HIS A 16 10.053 8.953 5.749 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.180 8.288 7.365 1.00 0.77 H new ATOM 0 HD2 HIS A 16 12.615 10.595 5.208 1.00 1.84 H new ATOM 0 HE1 HIS A 16 12.482 11.985 9.209 1.00 2.22 H new ATOM 0 HE2 HIS A 16 13.460 12.388 6.896 1.00 2.23 H new ATOM 270 N GLN A 17 12.330 5.964 7.721 1.00 0.69 N ATOM 271 CA GLN A 17 13.193 5.465 8.780 1.00 0.81 C ATOM 272 C GLN A 17 14.319 4.592 8.225 1.00 0.93 C ATOM 273 O GLN A 17 15.480 4.759 8.595 1.00 1.18 O ATOM 274 CB GLN A 17 12.369 4.669 9.794 1.00 0.85 C ATOM 275 CG GLN A 17 13.177 4.167 10.980 1.00 1.27 C ATOM 276 CD GLN A 17 12.345 3.380 11.974 1.00 1.99 C ATOM 277 OE1 GLN A 17 12.846 2.477 12.642 1.00 2.60 O ATOM 278 NE2 GLN A 17 11.071 3.721 12.090 1.00 2.77 N ATOM 0 H GLN A 17 11.486 5.411 7.570 1.00 0.69 H new ATOM 0 HA GLN A 17 13.648 6.325 9.272 1.00 0.81 H new ATOM 0 HB2 GLN A 17 11.555 5.296 10.159 1.00 0.85 H new ATOM 0 HB3 GLN A 17 11.913 3.817 9.290 1.00 0.85 H new ATOM 0 HG2 GLN A 17 13.991 3.539 10.618 1.00 1.27 H new ATOM 0 HG3 GLN A 17 13.632 5.017 11.488 1.00 1.27 H new ATOM 0 HE21 GLN A 17 10.691 4.476 11.519 1.00 2.77 H new ATOM 0 HE22 GLN A 17 10.470 3.229 12.751 1.00 2.77 H new ATOM 452 N LEU A 28 19.249 5.994 -1.728 1.00 1.14 N ATOM 453 CA LEU A 28 17.846 5.616 -1.823 1.00 0.90 C ATOM 454 C LEU A 28 17.710 4.452 -2.798 1.00 0.71 C ATOM 455 O LEU A 28 16.708 4.305 -3.496 1.00 0.76 O ATOM 456 CB LEU A 28 17.013 6.816 -2.288 1.00 1.66 C ATOM 457 CG LEU A 28 15.500 6.685 -2.099 1.00 2.02 C ATOM 458 CD1 LEU A 28 15.151 6.616 -0.621 1.00 2.91 C ATOM 459 CD2 LEU A 28 14.778 7.844 -2.767 1.00 2.37 C ATOM 0 HA LEU A 28 17.477 5.305 -0.845 1.00 0.90 H new ATOM 0 HB2 LEU A 28 17.353 7.701 -1.750 1.00 1.66 H new ATOM 0 HB3 LEU A 28 17.215 6.988 -3.345 1.00 1.66 H new ATOM 0 HG LEU A 28 15.172 5.759 -2.571 1.00 2.02 H new ATOM 0 HD11 LEU A 28 14.071 6.523 -0.506 1.00 2.91 H new ATOM 0 HD12 LEU A 28 15.639 5.751 -0.172 1.00 2.91 H new ATOM 0 HD13 LEU A 28 15.492 7.524 -0.124 1.00 2.91 H new ATOM 0 HD21 LEU A 28 13.703 7.735 -2.623 1.00 2.37 H new ATOM 0 HD22 LEU A 28 15.110 8.783 -2.324 1.00 2.37 H new ATOM 0 HD23 LEU A 28 15.002 7.846 -3.834 1.00 2.37 H new ATOM 471 N SER A 29 18.740 3.627 -2.832 1.00 0.61 N ATOM 472 CA SER A 29 18.832 2.547 -3.793 1.00 0.49 C ATOM 473 C SER A 29 18.257 1.244 -3.236 1.00 0.44 C ATOM 474 O SER A 29 17.634 1.243 -2.170 1.00 0.53 O ATOM 475 CB SER A 29 20.289 2.366 -4.200 1.00 0.55 C ATOM 476 OG SER A 29 21.120 2.224 -3.060 1.00 1.35 O ATOM 0 H SER A 29 19.534 3.688 -2.195 1.00 0.61 H new ATOM 0 HA SER A 29 18.237 2.806 -4.669 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.386 1.487 -4.837 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.615 3.224 -4.788 1.00 0.55 H new ATOM 0 HG SER A 29 22.050 2.107 -3.346 1.00 1.35 H new ATOM 482 N LYS A 30 18.457 0.145 -3.964 1.00 0.38 N ATOM 483 CA LYS A 30 17.942 -1.165 -3.564 1.00 0.36 C ATOM 484 C LYS A 30 18.353 -1.518 -2.134 1.00 0.36 C ATOM 485 O LYS A 30 17.636 -2.231 -1.447 1.00 0.37 O ATOM 486 CB LYS A 30 18.454 -2.249 -4.514 1.00 0.39 C ATOM 487 CG LYS A 30 17.679 -3.561 -4.432 1.00 0.41 C ATOM 488 CD LYS A 30 18.392 -4.686 -5.174 1.00 0.50 C ATOM 489 CE LYS A 30 19.003 -4.201 -6.478 1.00 0.52 C ATOM 490 NZ LYS A 30 19.713 -5.271 -7.229 1.00 1.32 N ATOM 0 H LYS A 30 18.977 0.137 -4.842 1.00 0.38 H new ATOM 0 HA LYS A 30 16.854 -1.115 -3.610 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.407 -1.874 -5.536 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.504 -2.444 -4.294 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.547 -3.841 -3.387 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.683 -3.422 -4.853 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.174 -5.103 -4.539 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.686 -5.491 -5.380 1.00 0.50 H new ATOM 0 HE2 LYS A 30 18.216 -3.786 -7.108 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.701 -3.392 -6.265 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.603 -5.110 -8.251 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 20.723 -5.256 -6.983 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 19.310 -6.197 -6.979 1.00 1.32 H new ATOM 504 N GLY A 31 19.505 -1.015 -1.700 1.00 0.39 N ATOM 505 CA GLY A 31 20.009 -1.322 -0.369 1.00 0.40 C ATOM 506 C GLY A 31 19.048 -0.935 0.737 1.00 0.38 C ATOM 507 O GLY A 31 18.795 -1.726 1.649 1.00 0.39 O ATOM 0 H GLY A 31 20.103 -0.397 -2.248 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.217 -2.390 -0.304 1.00 0.40 H new ATOM 0 HA3 GLY A 31 20.955 -0.803 -0.217 1.00 0.40 H new ATOM 511 N GLU A 32 18.517 0.277 0.655 1.00 0.44 N ATOM 512 CA GLU A 32 17.595 0.785 1.665 1.00 0.50 C ATOM 513 C GLU A 32 16.327 -0.055 1.683 1.00 0.42 C ATOM 514 O GLU A 32 15.820 -0.428 2.742 1.00 0.44 O ATOM 515 CB GLU A 32 17.238 2.237 1.366 1.00 0.67 C ATOM 516 CG GLU A 32 18.446 3.139 1.151 1.00 0.96 C ATOM 517 CD GLU A 32 19.336 3.259 2.372 1.00 1.58 C ATOM 518 OE1 GLU A 32 19.061 4.116 3.239 1.00 2.10 O ATOM 519 OE2 GLU A 32 20.330 2.507 2.465 1.00 2.44 O ATOM 0 H GLU A 32 18.709 0.931 -0.104 1.00 0.44 H new ATOM 0 HA GLU A 32 18.080 0.727 2.640 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.609 2.270 0.476 1.00 0.67 H new ATOM 0 HB3 GLU A 32 16.644 2.632 2.191 1.00 0.67 H new ATOM 0 HG2 GLU A 32 19.034 2.753 0.319 1.00 0.96 H new ATOM 0 HG3 GLU A 32 18.101 4.132 0.863 1.00 0.96 H new ATOM 526 N LEU A 33 15.836 -0.350 0.486 1.00 0.38 N ATOM 527 CA LEU A 33 14.654 -1.171 0.311 1.00 0.34 C ATOM 528 C LEU A 33 14.894 -2.546 0.913 1.00 0.29 C ATOM 529 O LEU A 33 14.117 -3.018 1.731 1.00 0.32 O ATOM 530 CB LEU A 33 14.347 -1.297 -1.180 1.00 0.34 C ATOM 531 CG LEU A 33 13.014 -1.957 -1.527 1.00 0.39 C ATOM 532 CD1 LEU A 33 11.852 -1.059 -1.132 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.950 -2.299 -3.007 1.00 0.46 C ATOM 0 H LEU A 33 16.249 -0.025 -0.388 1.00 0.38 H new ATOM 0 HA LEU A 33 13.806 -0.709 0.816 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.364 -0.301 -1.621 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.148 -1.868 -1.650 1.00 0.34 H new ATOM 0 HG LEU A 33 12.937 -2.885 -0.961 1.00 0.39 H new ATOM 0 HD11 LEU A 33 10.912 -1.547 -1.388 1.00 0.52 H new ATOM 0 HD12 LEU A 33 11.884 -0.873 -0.058 1.00 0.52 H new ATOM 0 HD13 LEU A 33 11.926 -0.112 -1.667 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.992 -2.768 -3.231 1.00 0.46 H new ATOM 0 HD22 LEU A 33 13.054 -1.388 -3.596 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.758 -2.987 -3.257 1.00 0.46 H new ATOM 545 N LYS A 34 16.001 -3.155 0.513 1.00 0.29 N ATOM 546 CA LYS A 34 16.401 -4.476 0.975 1.00 0.31 C ATOM 547 C LYS A 34 16.446 -4.542 2.498 1.00 0.35 C ATOM 548 O LYS A 34 15.901 -5.468 3.093 1.00 0.41 O ATOM 549 CB LYS A 34 17.770 -4.825 0.387 1.00 0.34 C ATOM 550 CG LYS A 34 18.410 -6.067 0.983 1.00 0.53 C ATOM 551 CD LYS A 34 19.809 -6.281 0.433 1.00 0.85 C ATOM 552 CE LYS A 34 20.490 -7.471 1.085 1.00 1.30 C ATOM 553 NZ LYS A 34 21.904 -7.607 0.646 1.00 1.87 N ATOM 0 H LYS A 34 16.655 -2.740 -0.150 1.00 0.29 H new ATOM 0 HA LYS A 34 15.661 -5.201 0.637 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.665 -4.966 -0.689 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.441 -3.979 0.534 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.453 -5.972 2.068 1.00 0.53 H new ATOM 0 HG3 LYS A 34 17.793 -6.938 0.764 1.00 0.53 H new ATOM 0 HD2 LYS A 34 19.757 -6.436 -0.645 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.406 -5.384 0.597 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.455 -7.361 2.169 1.00 1.30 H new ATOM 0 HE3 LYS A 34 19.944 -8.382 0.839 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.335 -8.431 1.113 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 21.936 -7.737 -0.385 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 22.431 -6.748 0.903 1.00 1.87 H new ATOM 567 N GLN A 35 17.099 -3.557 3.115 1.00 0.35 N ATOM 568 CA GLN A 35 17.172 -3.469 4.566 1.00 0.43 C ATOM 569 C GLN A 35 15.776 -3.510 5.166 1.00 0.43 C ATOM 570 O GLN A 35 15.470 -4.388 5.971 1.00 0.50 O ATOM 571 CB GLN A 35 17.889 -2.185 4.978 1.00 0.50 C ATOM 572 CG GLN A 35 18.079 -2.071 6.474 1.00 1.07 C ATOM 573 CD GLN A 35 18.689 -0.754 6.898 1.00 1.68 C ATOM 574 OE1 GLN A 35 17.978 0.208 7.176 1.00 2.46 O ATOM 575 NE2 GLN A 35 20.011 -0.700 6.957 1.00 2.07 N ATOM 0 H GLN A 35 17.586 -2.807 2.625 1.00 0.35 H new ATOM 0 HA GLN A 35 17.737 -4.322 4.942 1.00 0.43 H new ATOM 0 HB2 GLN A 35 18.862 -2.146 4.489 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.319 -1.327 4.623 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.114 -2.193 6.967 1.00 1.07 H new ATOM 0 HG3 GLN A 35 18.717 -2.886 6.816 1.00 1.07 H new ATOM 0 HE21 GLN A 35 20.566 -1.522 6.718 1.00 2.07 H new ATOM 0 HE22 GLN A 35 20.474 0.163 7.242 1.00 2.07 H new ATOM 584 N LEU A 36 14.931 -2.580 4.745 1.00 0.38 N ATOM 585 CA LEU A 36 13.558 -2.517 5.217 1.00 0.39 C ATOM 586 C LEU A 36 12.862 -3.860 5.020 1.00 0.38 C ATOM 587 O LEU A 36 12.278 -4.407 5.943 1.00 0.45 O ATOM 588 CB LEU A 36 12.822 -1.404 4.464 1.00 0.36 C ATOM 589 CG LEU A 36 11.356 -1.186 4.839 1.00 0.40 C ATOM 590 CD1 LEU A 36 10.967 0.258 4.589 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.452 -2.108 4.039 1.00 0.40 C ATOM 0 H LEU A 36 15.176 -1.854 4.072 1.00 0.38 H new ATOM 0 HA LEU A 36 13.549 -2.294 6.284 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.359 -0.469 4.625 1.00 0.36 H new ATOM 0 HB3 LEU A 36 12.873 -1.621 3.397 1.00 0.36 H new ATOM 0 HG LEU A 36 11.235 -1.415 5.898 1.00 0.40 H new ATOM 0 HD11 LEU A 36 9.921 0.405 4.859 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.593 0.914 5.194 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.106 0.495 3.534 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.414 -1.935 4.322 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.576 -1.906 2.975 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.717 -3.145 4.245 1.00 0.40 H new ATOM 603 N LEU A 37 12.958 -4.386 3.816 1.00 0.34 N ATOM 604 CA LEU A 37 12.283 -5.620 3.443 1.00 0.35 C ATOM 605 C LEU A 37 12.701 -6.808 4.303 1.00 0.41 C ATOM 606 O LEU A 37 11.851 -7.497 4.866 1.00 0.45 O ATOM 607 CB LEU A 37 12.562 -5.923 1.978 1.00 0.34 C ATOM 608 CG LEU A 37 12.038 -4.873 1.001 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.455 -5.203 -0.423 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.530 -4.755 1.112 1.00 0.32 C ATOM 0 H LEU A 37 13.507 -3.971 3.063 1.00 0.34 H new ATOM 0 HA LEU A 37 11.216 -5.469 3.608 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.639 -6.024 1.840 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.117 -6.886 1.729 1.00 0.34 H new ATOM 0 HG LEU A 37 12.477 -3.910 1.262 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.070 -4.441 -1.101 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.543 -5.229 -0.487 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.051 -6.176 -0.704 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.171 -4.003 0.410 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.072 -5.716 0.880 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.262 -4.461 2.127 1.00 0.32 H new ATOM 622 N THR A 38 14.001 -7.039 4.416 1.00 0.45 N ATOM 623 CA THR A 38 14.508 -8.221 5.093 1.00 0.53 C ATOM 624 C THR A 38 14.140 -8.218 6.576 1.00 0.59 C ATOM 625 O THR A 38 13.956 -9.278 7.177 1.00 0.66 O ATOM 626 CB THR A 38 16.044 -8.360 4.923 1.00 0.55 C ATOM 627 OG1 THR A 38 16.515 -9.552 5.559 1.00 1.23 O ATOM 628 CG2 THR A 38 16.787 -7.165 5.500 1.00 1.03 C ATOM 0 H THR A 38 14.724 -6.422 4.046 1.00 0.45 H new ATOM 0 HA THR A 38 14.033 -9.082 4.624 1.00 0.53 H new ATOM 0 HB THR A 38 16.242 -8.408 3.852 1.00 0.55 H new ATOM 0 HG1 THR A 38 17.449 -9.709 5.308 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.859 -7.301 5.361 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.467 -6.257 4.989 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.567 -7.079 6.564 1.00 1.03 H new ATOM 636 N LYS A 39 14.033 -7.036 7.172 1.00 0.58 N ATOM 637 CA LYS A 39 13.742 -6.952 8.592 1.00 0.66 C ATOM 638 C LYS A 39 12.257 -6.718 8.889 1.00 0.64 C ATOM 639 O LYS A 39 11.754 -7.174 9.910 1.00 0.72 O ATOM 640 CB LYS A 39 14.608 -5.885 9.254 1.00 0.72 C ATOM 641 CG LYS A 39 14.389 -4.482 8.728 1.00 0.68 C ATOM 642 CD LYS A 39 15.634 -3.607 8.878 1.00 0.73 C ATOM 643 CE LYS A 39 16.055 -3.417 10.334 1.00 0.87 C ATOM 644 NZ LYS A 39 16.749 -4.607 10.898 1.00 1.61 N ATOM 0 H LYS A 39 14.142 -6.138 6.701 1.00 0.58 H new ATOM 0 HA LYS A 39 13.988 -7.924 9.020 1.00 0.66 H new ATOM 0 HB2 LYS A 39 14.414 -5.892 10.327 1.00 0.72 H new ATOM 0 HB3 LYS A 39 15.656 -6.151 9.118 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.106 -4.530 7.677 1.00 0.68 H new ATOM 0 HG3 LYS A 39 13.557 -4.022 9.261 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.457 -4.057 8.323 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.443 -2.632 8.430 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.713 -2.551 10.406 1.00 0.87 H new ATOM 0 HE3 LYS A 39 15.173 -3.198 10.936 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 17.498 -4.296 11.549 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 16.064 -5.196 11.414 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 17.170 -5.162 10.126 1.00 1.61 H new ATOM 658 N GLU A 40 11.556 -6.023 8.000 1.00 0.57 N ATOM 659 CA GLU A 40 10.163 -5.642 8.252 1.00 0.58 C ATOM 660 C GLU A 40 9.194 -6.631 7.631 1.00 0.56 C ATOM 661 O GLU A 40 8.167 -6.975 8.223 1.00 0.64 O ATOM 662 CB GLU A 40 9.882 -4.251 7.681 1.00 0.58 C ATOM 663 CG GLU A 40 10.428 -3.120 8.517 1.00 0.87 C ATOM 664 CD GLU A 40 9.650 -2.929 9.802 1.00 1.14 C ATOM 665 OE1 GLU A 40 8.398 -2.971 9.753 1.00 1.63 O ATOM 666 OE2 GLU A 40 10.278 -2.752 10.864 1.00 1.67 O ATOM 0 H GLU A 40 11.924 -5.711 7.101 1.00 0.57 H new ATOM 0 HA GLU A 40 10.018 -5.639 9.332 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.309 -4.188 6.680 1.00 0.58 H new ATOM 0 HB3 GLU A 40 8.805 -4.124 7.576 1.00 0.58 H new ATOM 0 HG2 GLU A 40 11.473 -3.318 8.754 1.00 0.87 H new ATOM 0 HG3 GLU A 40 10.401 -2.197 7.938 1.00 0.87 H new ATOM 673 N LEU A 41 9.525 -7.073 6.433 1.00 0.50 N ATOM 674 CA LEU A 41 8.625 -7.900 5.637 1.00 0.49 C ATOM 675 C LEU A 41 9.118 -9.336 5.581 1.00 0.52 C ATOM 676 O LEU A 41 8.700 -10.111 4.714 1.00 0.53 O ATOM 677 CB LEU A 41 8.499 -7.344 4.213 1.00 0.43 C ATOM 678 CG LEU A 41 7.675 -6.057 4.062 1.00 0.51 C ATOM 679 CD1 LEU A 41 8.349 -4.875 4.729 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.438 -5.753 2.598 1.00 1.42 C ATOM 0 H LEU A 41 10.418 -6.873 5.982 1.00 0.50 H new ATOM 0 HA LEU A 41 7.646 -7.882 6.115 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.501 -7.157 3.827 1.00 0.43 H new ATOM 0 HB3 LEU A 41 8.053 -8.113 3.582 1.00 0.43 H new ATOM 0 HG LEU A 41 6.719 -6.222 4.559 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.734 -3.985 4.599 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.472 -5.079 5.793 1.00 1.22 H new ATOM 0 HD13 LEU A 41 9.326 -4.710 4.276 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.853 -4.838 2.507 1.00 1.42 H new ATOM 0 HD22 LEU A 41 8.396 -5.623 2.094 1.00 1.42 H new ATOM 0 HD23 LEU A 41 6.895 -6.579 2.138 1.00 1.42 H new ATOM 692 N ALA A 42 9.999 -9.676 6.517 1.00 0.58 N ATOM 693 CA ALA A 42 10.615 -11.000 6.583 1.00 0.64 C ATOM 694 C ALA A 42 9.585 -12.129 6.525 1.00 0.71 C ATOM 695 O ALA A 42 9.833 -13.169 5.918 1.00 0.78 O ATOM 696 CB ALA A 42 11.451 -11.126 7.847 1.00 0.71 C ATOM 0 H ALA A 42 10.307 -9.041 7.253 1.00 0.58 H new ATOM 0 HA ALA A 42 11.254 -11.099 5.706 1.00 0.64 H new ATOM 0 HB1 ALA A 42 11.905 -12.116 7.886 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.234 -10.368 7.842 1.00 0.71 H new ATOM 0 HB3 ALA A 42 10.814 -10.985 8.720 1.00 0.71 H new ATOM 702 N ASN A 43 8.433 -11.915 7.138 1.00 0.74 N ATOM 703 CA ASN A 43 7.408 -12.947 7.219 1.00 0.83 C ATOM 704 C ASN A 43 6.209 -12.620 6.341 1.00 0.83 C ATOM 705 O ASN A 43 5.119 -13.156 6.549 1.00 1.07 O ATOM 706 CB ASN A 43 6.939 -13.125 8.664 1.00 0.99 C ATOM 707 CG ASN A 43 7.901 -13.929 9.514 1.00 1.28 C ATOM 708 OD1 ASN A 43 9.110 -13.918 9.295 1.00 1.56 O ATOM 709 ND2 ASN A 43 7.365 -14.637 10.495 1.00 2.16 N ATOM 0 H ASN A 43 8.182 -11.035 7.588 1.00 0.74 H new ATOM 0 HA ASN A 43 7.857 -13.873 6.861 1.00 0.83 H new ATOM 0 HB2 ASN A 43 6.799 -12.143 9.116 1.00 0.99 H new ATOM 0 HB3 ASN A 43 5.967 -13.617 8.665 1.00 0.99 H new ATOM 0 HD21 ASN A 43 7.961 -15.200 11.102 1.00 2.16 H new ATOM 0 HD22 ASN A 43 6.356 -14.620 10.644 1.00 2.16 H new ATOM 716 N THR A 44 6.394 -11.752 5.362 1.00 0.65 N ATOM 717 CA THR A 44 5.288 -11.345 4.517 1.00 0.61 C ATOM 718 C THR A 44 5.525 -11.760 3.073 1.00 0.59 C ATOM 719 O THR A 44 4.808 -12.597 2.522 1.00 0.66 O ATOM 720 CB THR A 44 5.071 -9.823 4.586 1.00 0.56 C ATOM 721 OG1 THR A 44 5.040 -9.396 5.954 1.00 0.65 O ATOM 722 CG2 THR A 44 3.771 -9.436 3.909 1.00 0.53 C ATOM 0 H THR A 44 7.290 -11.320 5.135 1.00 0.65 H new ATOM 0 HA THR A 44 4.394 -11.846 4.887 1.00 0.61 H new ATOM 0 HB THR A 44 5.897 -9.335 4.068 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.378 -8.478 6.018 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.637 -8.356 3.969 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.801 -9.740 2.863 1.00 0.53 H new ATOM 0 HG23 THR A 44 2.939 -9.933 4.408 1.00 0.53 H new ATOM 730 N ILE A 45 6.551 -11.187 2.472 1.00 0.52 N ATOM 731 CA ILE A 45 6.853 -11.441 1.076 1.00 0.52 C ATOM 732 C ILE A 45 7.607 -12.757 0.925 1.00 0.59 C ATOM 733 O ILE A 45 8.478 -13.079 1.741 1.00 0.60 O ATOM 734 CB ILE A 45 7.671 -10.280 0.480 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.872 -8.971 0.540 1.00 0.39 C ATOM 736 CG2 ILE A 45 8.078 -10.594 -0.954 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.566 -7.803 -0.128 1.00 0.36 C ATOM 0 H ILE A 45 7.192 -10.540 2.931 1.00 0.52 H new ATOM 0 HA ILE A 45 5.913 -11.516 0.529 1.00 0.52 H new ATOM 0 HB ILE A 45 8.576 -10.157 1.075 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.903 -9.125 0.066 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.681 -8.720 1.583 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.655 -9.763 -1.359 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.685 -11.499 -0.970 1.00 0.47 H new ATOM 0 HG23 ILE A 45 7.185 -10.745 -1.561 1.00 0.47 H new ATOM 0 HD11 ILE A 45 6.942 -6.913 -0.046 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.523 -7.621 0.360 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.733 -8.033 -1.180 1.00 0.36 H new ATOM 749 N LYS A 46 7.245 -13.528 -0.106 1.00 0.67 N ATOM 750 CA LYS A 46 7.855 -14.830 -0.341 1.00 0.73 C ATOM 751 C LYS A 46 9.363 -14.682 -0.457 1.00 0.68 C ATOM 752 O LYS A 46 9.858 -13.921 -1.289 1.00 0.63 O ATOM 753 CB LYS A 46 7.258 -15.516 -1.599 1.00 0.82 C ATOM 754 CG LYS A 46 7.939 -15.187 -2.929 1.00 0.79 C ATOM 755 CD LYS A 46 9.115 -16.121 -3.217 1.00 0.75 C ATOM 756 CE LYS A 46 9.746 -15.812 -4.563 1.00 0.88 C ATOM 757 NZ LYS A 46 10.897 -16.708 -4.864 1.00 1.61 N ATOM 0 H LYS A 46 6.532 -13.268 -0.788 1.00 0.67 H new ATOM 0 HA LYS A 46 7.633 -15.474 0.510 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.295 -16.595 -1.452 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.206 -15.240 -1.674 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.211 -15.261 -3.737 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.291 -14.156 -2.911 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.863 -16.021 -2.430 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.773 -17.156 -3.202 1.00 0.75 H new ATOM 0 HE2 LYS A 46 8.995 -15.913 -5.346 1.00 0.88 H new ATOM 0 HE3 LYS A 46 10.082 -14.775 -4.575 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 11.296 -16.461 -5.792 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 11.627 -16.594 -4.132 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 10.573 -17.696 -4.879 1.00 1.61 H new ATOM 771 N ASN A 47 10.076 -15.378 0.422 1.00 0.71 N ATOM 772 CA ASN A 47 11.536 -15.386 0.420 1.00 0.67 C ATOM 773 C ASN A 47 12.109 -13.988 0.254 1.00 0.59 C ATOM 774 O ASN A 47 13.045 -13.783 -0.512 1.00 0.57 O ATOM 775 CB ASN A 47 12.074 -16.285 -0.689 1.00 0.69 C ATOM 776 CG ASN A 47 11.906 -17.763 -0.392 1.00 0.92 C ATOM 777 OD1 ASN A 47 10.955 -18.177 0.276 1.00 1.48 O ATOM 778 ND2 ASN A 47 12.838 -18.569 -0.873 1.00 1.24 N ATOM 0 H ASN A 47 9.660 -15.952 1.155 1.00 0.71 H new ATOM 0 HA ASN A 47 11.850 -15.776 1.388 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.562 -16.048 -1.621 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.131 -16.069 -0.842 1.00 0.69 H new ATOM 0 HD21 ASN A 47 12.786 -19.572 -0.696 1.00 1.24 H new ATOM 0 HD22 ASN A 47 13.609 -18.187 -1.421 1.00 1.24 H new ATOM 785 N ILE A 48 11.544 -13.034 0.983 1.00 0.55 N ATOM 786 CA ILE A 48 11.990 -11.640 0.935 1.00 0.48 C ATOM 787 C ILE A 48 13.459 -11.514 1.347 1.00 0.48 C ATOM 788 O ILE A 48 14.070 -10.455 1.249 1.00 0.43 O ATOM 789 CB ILE A 48 11.118 -10.767 1.859 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.399 -9.280 1.642 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.349 -11.143 3.310 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.183 -8.826 0.218 1.00 0.38 C ATOM 0 H ILE A 48 10.767 -13.199 1.623 1.00 0.55 H new ATOM 0 HA ILE A 48 11.888 -11.294 -0.094 1.00 0.48 H new ATOM 0 HB ILE A 48 10.073 -10.951 1.609 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.756 -8.697 2.302 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.428 -9.067 1.930 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.727 -10.519 3.951 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.088 -12.191 3.460 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.398 -10.990 3.563 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.401 -7.761 0.139 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.845 -9.382 -0.446 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.147 -9.006 -0.068 1.00 0.38 H new ATOM 804 N LYS A 49 14.014 -12.618 1.800 1.00 0.56 N ATOM 805 CA LYS A 49 15.386 -12.663 2.246 1.00 0.57 C ATOM 806 C LYS A 49 16.308 -12.908 1.063 1.00 0.55 C ATOM 807 O LYS A 49 17.530 -12.812 1.172 1.00 0.56 O ATOM 808 CB LYS A 49 15.539 -13.770 3.277 1.00 0.65 C ATOM 809 CG LYS A 49 14.472 -13.716 4.358 1.00 0.73 C ATOM 810 CD LYS A 49 14.434 -12.366 5.064 1.00 0.72 C ATOM 811 CE LYS A 49 15.424 -12.273 6.219 1.00 0.82 C ATOM 812 NZ LYS A 49 16.844 -12.353 5.777 1.00 1.11 N ATOM 0 H LYS A 49 13.524 -13.510 1.869 1.00 0.56 H new ATOM 0 HA LYS A 49 15.656 -11.710 2.701 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.494 -14.737 2.776 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.523 -13.697 3.740 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.497 -13.919 3.914 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.659 -14.502 5.090 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.650 -11.578 4.342 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.427 -12.186 5.440 1.00 0.72 H new ATOM 0 HE2 LYS A 49 15.267 -11.334 6.750 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.224 -13.077 6.927 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 17.444 -11.823 6.440 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 17.146 -13.348 5.757 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 16.935 -11.944 4.825 1.00 1.11 H new ATOM 826 N ASP A 50 15.702 -13.225 -0.070 1.00 0.55 N ATOM 827 CA ASP A 50 16.443 -13.478 -1.290 1.00 0.56 C ATOM 828 C ASP A 50 16.634 -12.204 -2.078 1.00 0.50 C ATOM 829 O ASP A 50 15.683 -11.480 -2.356 1.00 0.47 O ATOM 830 CB ASP A 50 15.732 -14.511 -2.162 1.00 0.62 C ATOM 831 CG ASP A 50 16.188 -15.927 -1.894 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.381 -16.224 -2.116 1.00 1.57 O ATOM 833 OD2 ASP A 50 15.357 -16.754 -1.468 1.00 1.58 O ATOM 0 H ASP A 50 14.690 -13.313 -0.167 1.00 0.55 H new ATOM 0 HA ASP A 50 17.418 -13.870 -1.002 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.657 -14.443 -1.992 1.00 0.62 H new ATOM 0 HB3 ASP A 50 15.905 -14.272 -3.211 1.00 0.62 H new ATOM 838 N LYS A 51 17.878 -11.949 -2.438 1.00 0.50 N ATOM 839 CA LYS A 51 18.233 -10.808 -3.260 1.00 0.48 C ATOM 840 C LYS A 51 17.583 -10.923 -4.626 1.00 0.50 C ATOM 841 O LYS A 51 17.296 -9.922 -5.263 1.00 0.48 O ATOM 842 CB LYS A 51 19.745 -10.748 -3.410 1.00 0.53 C ATOM 843 CG LYS A 51 20.252 -9.632 -4.311 1.00 0.83 C ATOM 844 CD LYS A 51 19.974 -8.253 -3.736 1.00 0.60 C ATOM 845 CE LYS A 51 20.614 -7.164 -4.587 1.00 0.83 C ATOM 846 NZ LYS A 51 22.071 -7.389 -4.782 1.00 0.92 N ATOM 0 H LYS A 51 18.672 -12.529 -2.168 1.00 0.50 H new ATOM 0 HA LYS A 51 17.877 -9.896 -2.781 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.190 -10.629 -2.422 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.095 -11.702 -3.804 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.325 -9.750 -4.463 1.00 0.83 H new ATOM 0 HG3 LYS A 51 19.780 -9.716 -5.290 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.898 -8.089 -3.680 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.359 -8.196 -2.718 1.00 0.60 H new ATOM 0 HE2 LYS A 51 20.120 -7.127 -5.558 1.00 0.83 H new ATOM 0 HE3 LYS A 51 20.458 -6.195 -4.113 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.568 -6.475 -4.771 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.435 -7.990 -4.015 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.230 -7.859 -5.696 1.00 0.92 H new ATOM 860 N ALA A 52 17.347 -12.152 -5.065 1.00 0.55 N ATOM 861 CA ALA A 52 16.677 -12.389 -6.332 1.00 0.60 C ATOM 862 C ALA A 52 15.228 -11.966 -6.217 1.00 0.58 C ATOM 863 O ALA A 52 14.638 -11.445 -7.161 1.00 0.60 O ATOM 864 CB ALA A 52 16.765 -13.851 -6.724 1.00 0.67 C ATOM 0 H ALA A 52 17.610 -12.999 -4.561 1.00 0.55 H new ATOM 0 HA ALA A 52 17.169 -11.802 -7.107 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.256 -14.004 -7.676 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.812 -14.139 -6.822 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.290 -14.463 -5.957 1.00 0.67 H new ATOM 870 N VAL A 53 14.682 -12.168 -5.028 1.00 0.54 N ATOM 871 CA VAL A 53 13.310 -11.791 -4.729 1.00 0.53 C ATOM 872 C VAL A 53 13.222 -10.285 -4.595 1.00 0.47 C ATOM 873 O VAL A 53 12.373 -9.638 -5.200 1.00 0.48 O ATOM 874 CB VAL A 53 12.821 -12.456 -3.424 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.537 -11.816 -2.916 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.612 -13.943 -3.637 1.00 0.60 C ATOM 0 H VAL A 53 15.176 -12.597 -4.245 1.00 0.54 H new ATOM 0 HA VAL A 53 12.673 -12.132 -5.545 1.00 0.53 H new ATOM 0 HB VAL A 53 13.592 -12.306 -2.668 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.223 -12.310 -1.996 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.711 -10.758 -2.719 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.756 -11.921 -3.669 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.267 -14.399 -2.709 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.866 -14.098 -4.416 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.553 -14.403 -3.939 1.00 0.60 H new ATOM 886 N ILE A 54 14.132 -9.742 -3.812 1.00 0.42 N ATOM 887 CA ILE A 54 14.225 -8.308 -3.618 1.00 0.36 C ATOM 888 C ILE A 54 14.461 -7.587 -4.933 1.00 0.38 C ATOM 889 O ILE A 54 13.937 -6.503 -5.159 1.00 0.38 O ATOM 890 CB ILE A 54 15.356 -7.986 -2.648 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.009 -8.595 -1.296 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.584 -6.479 -2.542 1.00 0.32 C ATOM 893 CD1 ILE A 54 15.955 -8.212 -0.190 1.00 0.38 C ATOM 0 H ILE A 54 14.826 -10.280 -3.293 1.00 0.42 H new ATOM 0 HA ILE A 54 13.277 -7.964 -3.204 1.00 0.36 H new ATOM 0 HB ILE A 54 16.290 -8.413 -3.013 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.000 -8.289 -1.019 1.00 0.37 H new ATOM 0 HG13 ILE A 54 14.998 -9.681 -1.391 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.397 -6.282 -1.843 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.844 -6.081 -3.523 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.674 -5.998 -2.185 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.639 -8.686 0.739 1.00 0.38 H new ATOM 0 HD12 ILE A 54 16.962 -8.543 -0.442 1.00 0.38 H new ATOM 0 HD13 ILE A 54 15.949 -7.129 -0.065 1.00 0.38 H new ATOM 905 N ASP A 55 15.250 -8.203 -5.795 1.00 0.43 N ATOM 906 CA ASP A 55 15.547 -7.642 -7.100 1.00 0.47 C ATOM 907 C ASP A 55 14.295 -7.638 -7.952 1.00 0.48 C ATOM 908 O ASP A 55 13.993 -6.657 -8.624 1.00 0.49 O ATOM 909 CB ASP A 55 16.644 -8.451 -7.782 1.00 0.55 C ATOM 910 CG ASP A 55 17.870 -7.620 -8.069 1.00 0.86 C ATOM 911 OD1 ASP A 55 17.846 -6.829 -9.032 1.00 1.44 O ATOM 912 OD2 ASP A 55 18.860 -7.736 -7.319 1.00 1.53 O ATOM 0 H ASP A 55 15.700 -9.100 -5.612 1.00 0.43 H new ATOM 0 HA ASP A 55 15.896 -6.617 -6.976 1.00 0.47 H new ATOM 0 HB2 ASP A 55 16.919 -9.294 -7.148 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.261 -8.865 -8.715 1.00 0.55 H new ATOM 917 N GLU A 56 13.566 -8.742 -7.888 1.00 0.51 N ATOM 918 CA GLU A 56 12.280 -8.872 -8.552 1.00 0.54 C ATOM 919 C GLU A 56 11.353 -7.728 -8.161 1.00 0.47 C ATOM 920 O GLU A 56 10.752 -7.071 -9.017 1.00 0.49 O ATOM 921 CB GLU A 56 11.644 -10.205 -8.165 1.00 0.58 C ATOM 922 CG GLU A 56 12.181 -11.395 -8.940 1.00 0.69 C ATOM 923 CD GLU A 56 11.984 -11.246 -10.430 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.825 -11.340 -10.888 1.00 1.77 O ATOM 925 OE2 GLU A 56 12.985 -11.034 -11.147 1.00 1.66 O ATOM 0 H GLU A 56 13.851 -9.575 -7.372 1.00 0.51 H new ATOM 0 HA GLU A 56 12.436 -8.836 -9.630 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.804 -10.376 -7.100 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.567 -10.140 -8.320 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.243 -11.515 -8.727 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.683 -12.302 -8.599 1.00 0.69 H new ATOM 932 N ILE A 57 11.261 -7.487 -6.861 1.00 0.42 N ATOM 933 CA ILE A 57 10.403 -6.451 -6.329 1.00 0.39 C ATOM 934 C ILE A 57 10.914 -5.073 -6.711 1.00 0.36 C ATOM 935 O ILE A 57 10.189 -4.270 -7.287 1.00 0.37 O ATOM 936 CB ILE A 57 10.356 -6.554 -4.809 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.908 -7.952 -4.392 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.431 -5.500 -4.241 1.00 0.59 C ATOM 939 CD1 ILE A 57 10.022 -8.205 -2.912 1.00 1.00 C ATOM 0 H ILE A 57 11.779 -8.005 -6.152 1.00 0.42 H new ATOM 0 HA ILE A 57 9.406 -6.588 -6.748 1.00 0.39 H new ATOM 0 HB ILE A 57 11.356 -6.380 -4.410 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.872 -8.099 -4.699 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.506 -8.690 -4.926 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.407 -5.585 -3.155 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.792 -4.510 -4.520 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.427 -5.645 -4.639 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.686 -9.218 -2.689 1.00 1.00 H new ATOM 0 HD12 ILE A 57 11.061 -8.090 -2.602 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.401 -7.490 -2.372 1.00 1.00 H new ATOM 951 N PHE A 58 12.177 -4.828 -6.390 1.00 0.35 N ATOM 952 CA PHE A 58 12.838 -3.561 -6.669 1.00 0.36 C ATOM 953 C PHE A 58 12.664 -3.168 -8.127 1.00 0.41 C ATOM 954 O PHE A 58 12.319 -2.034 -8.436 1.00 0.44 O ATOM 955 CB PHE A 58 14.325 -3.687 -6.333 1.00 0.38 C ATOM 956 CG PHE A 58 15.147 -2.494 -6.713 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.091 -1.333 -5.966 1.00 1.12 C ATOM 958 CD2 PHE A 58 15.989 -2.539 -7.812 1.00 1.52 C ATOM 959 CE1 PHE A 58 15.859 -0.239 -6.304 1.00 1.16 C ATOM 960 CE2 PHE A 58 16.756 -1.448 -8.158 1.00 1.68 C ATOM 961 CZ PHE A 58 16.691 -0.298 -7.401 1.00 0.93 C ATOM 0 H PHE A 58 12.777 -5.509 -5.925 1.00 0.35 H new ATOM 0 HA PHE A 58 12.385 -2.783 -6.055 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.430 -3.859 -5.262 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.726 -4.566 -6.838 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.438 -1.282 -5.107 1.00 1.12 H new ATOM 0 HD2 PHE A 58 16.045 -3.440 -8.405 1.00 1.52 H new ATOM 0 HE1 PHE A 58 15.809 0.662 -5.711 1.00 1.16 H new ATOM 0 HE2 PHE A 58 17.406 -1.494 -9.019 1.00 1.68 H new ATOM 0 HZ PHE A 58 17.293 0.558 -7.668 1.00 0.93 H new ATOM 971 N GLN A 59 12.887 -4.124 -9.011 1.00 0.45 N ATOM 972 CA GLN A 59 12.758 -3.902 -10.442 1.00 0.52 C ATOM 973 C GLN A 59 11.301 -3.677 -10.835 1.00 0.52 C ATOM 974 O GLN A 59 11.011 -3.048 -11.851 1.00 0.57 O ATOM 975 CB GLN A 59 13.340 -5.091 -11.196 1.00 0.58 C ATOM 976 CG GLN A 59 14.859 -5.116 -11.189 1.00 0.61 C ATOM 977 CD GLN A 59 15.457 -3.990 -12.012 1.00 1.10 C ATOM 978 OE1 GLN A 59 15.717 -4.151 -13.206 1.00 1.92 O ATOM 979 NE2 GLN A 59 15.682 -2.845 -11.385 1.00 1.63 N ATOM 0 H GLN A 59 13.162 -5.074 -8.759 1.00 0.45 H new ATOM 0 HA GLN A 59 13.313 -3.002 -10.708 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.965 -6.013 -10.752 1.00 0.58 H new ATOM 0 HB3 GLN A 59 12.988 -5.067 -12.227 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.217 -5.042 -10.162 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.206 -6.073 -11.579 1.00 0.61 H new ATOM 0 HE21 GLN A 59 15.453 -2.752 -10.395 1.00 1.63 H new ATOM 0 HE22 GLN A 59 16.084 -2.057 -11.892 1.00 1.63 H new ATOM 988 N GLY A 60 10.391 -4.198 -10.023 1.00 0.48 N ATOM 989 CA GLY A 60 8.978 -3.972 -10.248 1.00 0.49 C ATOM 990 C GLY A 60 8.543 -2.578 -9.833 1.00 0.47 C ATOM 991 O GLY A 60 7.517 -2.079 -10.297 1.00 0.53 O ATOM 0 H GLY A 60 10.608 -4.775 -9.210 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.752 -4.121 -11.304 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.401 -4.711 -9.691 1.00 0.49 H new ATOM 995 N LEU A 61 9.316 -1.949 -8.954 1.00 0.42 N ATOM 996 CA LEU A 61 9.009 -0.597 -8.507 1.00 0.44 C ATOM 997 C LEU A 61 9.805 0.404 -9.319 1.00 0.51 C ATOM 998 O LEU A 61 9.265 1.415 -9.765 1.00 0.58 O ATOM 999 CB LEU A 61 9.329 -0.408 -7.021 1.00 0.39 C ATOM 1000 CG LEU A 61 9.383 -1.684 -6.186 1.00 0.34 C ATOM 1001 CD1 LEU A 61 10.005 -1.396 -4.833 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.990 -2.280 -6.019 1.00 0.35 C ATOM 0 H LEU A 61 10.156 -2.352 -8.539 1.00 0.42 H new ATOM 0 HA LEU A 61 7.941 -0.434 -8.651 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.290 0.099 -6.937 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.580 0.255 -6.589 1.00 0.39 H new ATOM 0 HG LEU A 61 10.002 -2.414 -6.708 1.00 0.34 H new ATOM 0 HD11 LEU A 61 10.039 -2.313 -4.245 1.00 0.31 H new ATOM 0 HD12 LEU A 61 11.017 -1.016 -4.971 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.407 -0.651 -4.309 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.052 -3.189 -5.421 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.344 -1.559 -5.518 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.576 -2.519 -6.999 1.00 0.35 H new ATOM 1014 N ASP A 62 11.089 0.100 -9.506 1.00 0.50 N ATOM 1015 CA ASP A 62 12.007 0.951 -10.261 1.00 0.59 C ATOM 1016 C ASP A 62 11.661 0.916 -11.745 1.00 0.70 C ATOM 1017 O ASP A 62 12.362 0.315 -12.560 1.00 0.75 O ATOM 1018 CB ASP A 62 13.458 0.500 -10.029 1.00 0.57 C ATOM 1019 CG ASP A 62 14.480 1.339 -10.782 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.554 2.562 -10.545 1.00 1.11 O ATOM 1021 OD2 ASP A 62 15.216 0.772 -11.617 1.00 1.40 O ATOM 0 H ASP A 62 11.523 -0.746 -9.137 1.00 0.50 H new ATOM 0 HA ASP A 62 11.905 1.978 -9.911 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.678 0.544 -8.962 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.560 -0.542 -10.333 1.00 0.57 H new ATOM 1026 N ALA A 63 10.546 1.539 -12.075 1.00 0.78 N ATOM 1027 CA ALA A 63 10.078 1.620 -13.444 1.00 0.94 C ATOM 1028 C ALA A 63 10.816 2.718 -14.181 1.00 1.12 C ATOM 1029 O ALA A 63 10.902 2.720 -15.409 1.00 1.30 O ATOM 1030 CB ALA A 63 8.582 1.882 -13.464 1.00 0.99 C ATOM 0 H ALA A 63 9.939 2.004 -11.400 1.00 0.78 H new ATOM 0 HA ALA A 63 10.275 0.672 -13.945 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.237 1.942 -14.496 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.064 1.070 -12.954 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.371 2.823 -12.956 1.00 0.99 H new ATOM 1036 N ASN A 64 11.358 3.647 -13.411 1.00 1.09 N ATOM 1037 CA ASN A 64 12.055 4.793 -13.967 1.00 1.28 C ATOM 1038 C ASN A 64 13.499 4.437 -14.289 1.00 1.21 C ATOM 1039 O ASN A 64 14.190 5.164 -15.003 1.00 1.37 O ATOM 1040 CB ASN A 64 11.990 5.969 -12.994 1.00 1.34 C ATOM 1041 CG ASN A 64 10.571 6.459 -12.781 1.00 2.03 C ATOM 1042 OD1 ASN A 64 10.086 7.322 -13.511 1.00 2.55 O ATOM 1043 ND2 ASN A 64 9.891 5.909 -11.786 1.00 2.80 N ATOM 0 H ASN A 64 11.328 3.628 -12.392 1.00 1.09 H new ATOM 0 HA ASN A 64 11.565 5.084 -14.896 1.00 1.28 H new ATOM 0 HB2 ASN A 64 12.417 5.670 -12.037 1.00 1.34 H new ATOM 0 HB3 ASN A 64 12.602 6.787 -13.374 1.00 1.34 H new ATOM 0 HD21 ASN A 64 8.930 6.199 -11.604 1.00 2.80 H new ATOM 0 HD22 ASN A 64 10.328 5.196 -11.202 1.00 2.80 H new ATOM 1050 N GLN A 65 13.929 3.296 -13.753 1.00 1.03 N ATOM 1051 CA GLN A 65 15.237 2.716 -14.048 1.00 1.05 C ATOM 1052 C GLN A 65 16.374 3.597 -13.548 1.00 1.04 C ATOM 1053 O GLN A 65 17.398 3.746 -14.216 1.00 1.17 O ATOM 1054 CB GLN A 65 15.394 2.452 -15.550 1.00 1.31 C ATOM 1055 CG GLN A 65 14.350 1.503 -16.115 1.00 1.37 C ATOM 1056 CD GLN A 65 14.562 1.212 -17.587 1.00 2.03 C ATOM 1057 OE1 GLN A 65 15.088 2.040 -18.330 1.00 2.72 O ATOM 1058 NE2 GLN A 65 14.154 0.032 -18.020 1.00 2.57 N ATOM 0 H GLN A 65 13.375 2.745 -13.097 1.00 1.03 H new ATOM 0 HA GLN A 65 15.292 1.766 -13.516 1.00 1.05 H new ATOM 0 HB2 GLN A 65 15.338 3.400 -16.085 1.00 1.31 H new ATOM 0 HB3 GLN A 65 16.386 2.040 -15.736 1.00 1.31 H new ATOM 0 HG2 GLN A 65 14.375 0.567 -15.556 1.00 1.37 H new ATOM 0 HG3 GLN A 65 13.359 1.933 -15.973 1.00 1.37 H new ATOM 0 HE21 GLN A 65 13.722 -0.627 -17.373 1.00 2.57 H new ATOM 0 HE22 GLN A 65 14.271 -0.219 -19.002 1.00 2.57 H new ATOM 1067 N ASP A 66 16.196 4.171 -12.368 1.00 0.93 N ATOM 1068 CA ASP A 66 17.244 4.975 -11.751 1.00 0.95 C ATOM 1069 C ASP A 66 17.926 4.187 -10.651 1.00 0.81 C ATOM 1070 O ASP A 66 18.877 4.661 -10.027 1.00 0.82 O ATOM 1071 CB ASP A 66 16.686 6.280 -11.179 1.00 1.06 C ATOM 1072 CG ASP A 66 16.414 7.319 -12.245 1.00 1.42 C ATOM 1073 OD1 ASP A 66 17.383 7.929 -12.743 1.00 2.13 O ATOM 1074 OD2 ASP A 66 15.233 7.545 -12.585 1.00 1.89 O ATOM 0 H ASP A 66 15.340 4.097 -11.819 1.00 0.93 H new ATOM 0 HA ASP A 66 17.969 5.225 -12.525 1.00 0.95 H new ATOM 0 HB2 ASP A 66 15.763 6.069 -10.640 1.00 1.06 H new ATOM 0 HB3 ASP A 66 17.393 6.685 -10.455 1.00 1.06 H new ATOM 1079 N GLU A 67 17.416 2.979 -10.415 1.00 0.73 N ATOM 1080 CA GLU A 67 17.940 2.087 -9.388 1.00 0.63 C ATOM 1081 C GLU A 67 17.770 2.730 -8.010 1.00 0.58 C ATOM 1082 O GLU A 67 18.557 2.502 -7.087 1.00 0.60 O ATOM 1083 CB GLU A 67 19.410 1.741 -9.666 1.00 0.68 C ATOM 1084 CG GLU A 67 19.927 0.562 -8.855 1.00 0.97 C ATOM 1085 CD GLU A 67 21.362 0.212 -9.184 1.00 1.42 C ATOM 1086 OE1 GLU A 67 22.276 0.788 -8.555 1.00 2.02 O ATOM 1087 OE2 GLU A 67 21.584 -0.641 -10.068 1.00 2.01 O ATOM 0 H GLU A 67 16.627 2.593 -10.933 1.00 0.73 H new ATOM 0 HA GLU A 67 17.377 1.154 -9.405 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.527 1.520 -10.727 1.00 0.68 H new ATOM 0 HB3 GLU A 67 20.026 2.615 -9.453 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.848 0.794 -7.793 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.294 -0.306 -9.039 1.00 0.97 H new ATOM 1094 N GLN A 68 16.725 3.534 -7.888 1.00 0.61 N ATOM 1095 CA GLN A 68 16.413 4.218 -6.643 1.00 0.65 C ATOM 1096 C GLN A 68 14.912 4.198 -6.411 1.00 0.66 C ATOM 1097 O GLN A 68 14.156 4.736 -7.213 1.00 0.78 O ATOM 1098 CB GLN A 68 16.906 5.668 -6.678 1.00 0.85 C ATOM 1099 CG GLN A 68 18.417 5.813 -6.744 1.00 1.38 C ATOM 1100 CD GLN A 68 18.857 7.261 -6.778 1.00 1.63 C ATOM 1101 OE1 GLN A 68 18.186 8.139 -6.233 1.00 2.16 O ATOM 1102 NE2 GLN A 68 19.981 7.523 -7.423 1.00 2.07 N ATOM 0 H GLN A 68 16.072 3.730 -8.646 1.00 0.61 H new ATOM 0 HA GLN A 68 16.919 3.699 -5.829 1.00 0.65 H new ATOM 0 HB2 GLN A 68 16.467 6.168 -7.541 1.00 0.85 H new ATOM 0 HB3 GLN A 68 16.541 6.185 -5.790 1.00 0.85 H new ATOM 0 HG2 GLN A 68 18.865 5.320 -5.881 1.00 1.38 H new ATOM 0 HG3 GLN A 68 18.790 5.302 -7.632 1.00 1.38 H new ATOM 0 HE21 GLN A 68 20.506 6.766 -7.860 1.00 2.07 H new ATOM 0 HE22 GLN A 68 20.323 8.482 -7.483 1.00 2.07 H new ATOM 1111 N VAL A 69 14.488 3.579 -5.322 1.00 0.59 N ATOM 1112 CA VAL A 69 13.072 3.487 -5.011 1.00 0.64 C ATOM 1113 C VAL A 69 12.518 4.846 -4.601 1.00 0.64 C ATOM 1114 O VAL A 69 12.799 5.340 -3.508 1.00 0.68 O ATOM 1115 CB VAL A 69 12.812 2.487 -3.865 1.00 0.72 C ATOM 1116 CG1 VAL A 69 11.322 2.246 -3.684 1.00 1.81 C ATOM 1117 CG2 VAL A 69 13.540 1.180 -4.112 1.00 1.22 C ATOM 0 H VAL A 69 15.102 3.134 -4.640 1.00 0.59 H new ATOM 0 HA VAL A 69 12.571 3.139 -5.914 1.00 0.64 H new ATOM 0 HB VAL A 69 13.200 2.923 -2.944 1.00 0.72 H new ATOM 0 HG11 VAL A 69 11.164 1.538 -2.871 1.00 1.81 H new ATOM 0 HG12 VAL A 69 10.827 3.188 -3.446 1.00 1.81 H new ATOM 0 HG13 VAL A 69 10.905 1.839 -4.605 1.00 1.81 H new ATOM 0 HG21 VAL A 69 13.341 0.492 -3.290 1.00 1.22 H new ATOM 0 HG22 VAL A 69 13.191 0.740 -5.046 1.00 1.22 H new ATOM 0 HG23 VAL A 69 14.612 1.367 -4.177 1.00 1.22 H new ATOM 1127 N ASP A 70 11.740 5.447 -5.488 1.00 0.67 N ATOM 1128 CA ASP A 70 11.037 6.682 -5.174 1.00 0.73 C ATOM 1129 C ASP A 70 9.886 6.390 -4.221 1.00 0.64 C ATOM 1130 O ASP A 70 9.517 5.232 -4.040 1.00 0.56 O ATOM 1131 CB ASP A 70 10.508 7.333 -6.457 1.00 0.84 C ATOM 1132 CG ASP A 70 9.707 8.597 -6.209 1.00 1.38 C ATOM 1133 OD1 ASP A 70 10.319 9.676 -6.071 1.00 2.02 O ATOM 1134 OD2 ASP A 70 8.462 8.512 -6.141 1.00 1.99 O ATOM 0 H ASP A 70 11.579 5.099 -6.433 1.00 0.67 H new ATOM 0 HA ASP A 70 11.731 7.373 -4.695 1.00 0.73 H new ATOM 0 HB2 ASP A 70 11.349 7.568 -7.109 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.883 6.615 -6.988 1.00 0.84 H new ATOM 1139 N PHE A 71 9.322 7.420 -3.616 1.00 0.70 N ATOM 1140 CA PHE A 71 8.202 7.247 -2.704 1.00 0.66 C ATOM 1141 C PHE A 71 7.051 6.519 -3.398 1.00 0.55 C ATOM 1142 O PHE A 71 6.425 5.638 -2.817 1.00 0.48 O ATOM 1143 CB PHE A 71 7.735 8.607 -2.185 1.00 0.82 C ATOM 1144 CG PHE A 71 8.847 9.421 -1.587 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.249 9.211 -0.281 1.00 1.92 C ATOM 1146 CD2 PHE A 71 9.498 10.388 -2.338 1.00 1.50 C ATOM 1147 CE1 PHE A 71 10.279 9.948 0.268 1.00 2.17 C ATOM 1148 CE2 PHE A 71 10.527 11.130 -1.794 1.00 1.76 C ATOM 1149 CZ PHE A 71 10.919 10.909 -0.489 1.00 1.76 C ATOM 0 H PHE A 71 9.621 8.387 -3.739 1.00 0.70 H new ATOM 0 HA PHE A 71 8.531 6.641 -1.860 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.283 9.166 -3.004 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.959 8.456 -1.435 1.00 0.82 H new ATOM 0 HD1 PHE A 71 8.751 8.462 0.317 1.00 1.92 H new ATOM 0 HD2 PHE A 71 9.196 10.563 -3.360 1.00 1.50 H new ATOM 0 HE1 PHE A 71 10.584 9.773 1.289 1.00 2.17 H new ATOM 0 HE2 PHE A 71 11.025 11.882 -2.388 1.00 1.76 H new ATOM 0 HZ PHE A 71 11.725 11.487 -0.061 1.00 1.76 H new ATOM 1159 N GLN A 72 6.808 6.863 -4.658 1.00 0.59 N ATOM 1160 CA GLN A 72 5.727 6.254 -5.422 1.00 0.56 C ATOM 1161 C GLN A 72 6.095 4.840 -5.862 1.00 0.49 C ATOM 1162 O GLN A 72 5.242 3.961 -5.970 1.00 0.47 O ATOM 1163 CB GLN A 72 5.375 7.121 -6.628 1.00 0.69 C ATOM 1164 CG GLN A 72 4.371 6.481 -7.564 1.00 0.74 C ATOM 1165 CD GLN A 72 3.662 7.495 -8.435 1.00 1.08 C ATOM 1166 OE1 GLN A 72 4.208 8.551 -8.751 1.00 1.66 O ATOM 1167 NE2 GLN A 72 2.436 7.187 -8.821 1.00 1.66 N ATOM 0 H GLN A 72 7.346 7.561 -5.172 1.00 0.59 H new ATOM 0 HA GLN A 72 4.851 6.185 -4.777 1.00 0.56 H new ATOM 0 HB2 GLN A 72 4.976 8.072 -6.277 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.286 7.343 -7.183 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.881 5.756 -8.198 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.634 5.930 -6.979 1.00 0.74 H new ATOM 0 HE21 GLN A 72 2.019 6.300 -8.537 1.00 1.66 H new ATOM 0 HE22 GLN A 72 1.906 7.836 -9.403 1.00 1.66 H new ATOM 1176 N GLU A 73 7.366 4.619 -6.108 1.00 0.49 N ATOM 1177 CA GLU A 73 7.854 3.285 -6.413 1.00 0.46 C ATOM 1178 C GLU A 73 7.825 2.426 -5.149 1.00 0.36 C ATOM 1179 O GLU A 73 7.662 1.207 -5.205 1.00 0.32 O ATOM 1180 CB GLU A 73 9.248 3.381 -7.031 1.00 0.56 C ATOM 1181 CG GLU A 73 9.239 4.216 -8.309 1.00 0.78 C ATOM 1182 CD GLU A 73 10.600 4.375 -8.953 1.00 1.15 C ATOM 1183 OE1 GLU A 73 11.486 4.987 -8.327 1.00 1.82 O ATOM 1184 OE2 GLU A 73 10.777 3.921 -10.105 1.00 1.99 O ATOM 0 H GLU A 73 8.084 5.343 -6.104 1.00 0.49 H new ATOM 0 HA GLU A 73 7.209 2.800 -7.145 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.936 3.824 -6.311 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.618 2.380 -7.252 1.00 0.56 H new ATOM 0 HG2 GLU A 73 8.561 3.755 -9.027 1.00 0.78 H new ATOM 0 HG3 GLU A 73 8.839 5.204 -8.082 1.00 0.78 H new ATOM 1191 N PHE A 74 7.926 3.074 -4.001 1.00 0.37 N ATOM 1192 CA PHE A 74 7.736 2.395 -2.732 1.00 0.34 C ATOM 1193 C PHE A 74 6.246 2.160 -2.499 1.00 0.32 C ATOM 1194 O PHE A 74 5.852 1.271 -1.745 1.00 0.33 O ATOM 1195 CB PHE A 74 8.339 3.206 -1.586 1.00 0.43 C ATOM 1196 CG PHE A 74 8.344 2.472 -0.275 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.245 1.444 -0.048 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.448 2.806 0.728 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.253 0.763 1.152 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.453 2.127 1.932 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.356 1.105 2.145 1.00 1.89 C ATOM 0 H PHE A 74 8.138 4.069 -3.922 1.00 0.37 H new ATOM 0 HA PHE A 74 8.249 1.434 -2.764 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.362 3.481 -1.844 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.778 4.134 -1.473 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.950 1.172 -0.820 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.739 3.605 0.567 1.00 1.44 H new ATOM 0 HE1 PHE A 74 9.960 -0.037 1.315 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.750 2.396 2.706 1.00 1.92 H new ATOM 0 HZ PHE A 74 8.361 0.574 3.086 1.00 1.89 H new ATOM 1211 N ILE A 75 5.425 2.949 -3.179 1.00 0.33 N ATOM 1212 CA ILE A 75 3.984 2.770 -3.148 1.00 0.35 C ATOM 1213 C ILE A 75 3.648 1.407 -3.740 1.00 0.34 C ATOM 1214 O ILE A 75 2.843 0.651 -3.191 1.00 0.36 O ATOM 1215 CB ILE A 75 3.250 3.895 -3.928 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.512 4.828 -2.981 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.276 3.340 -4.952 1.00 0.45 C ATOM 1218 CD1 ILE A 75 3.373 5.904 -2.369 1.00 0.67 C ATOM 0 H ILE A 75 5.738 3.725 -3.763 1.00 0.33 H new ATOM 0 HA ILE A 75 3.645 2.823 -2.114 1.00 0.35 H new ATOM 0 HB ILE A 75 4.020 4.455 -4.458 1.00 0.41 H new ATOM 0 HG12 ILE A 75 1.692 5.300 -3.522 1.00 0.49 H new ATOM 0 HG13 ILE A 75 2.068 4.236 -2.181 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.787 4.163 -5.472 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.816 2.725 -5.672 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.525 2.732 -4.448 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.767 6.523 -1.708 1.00 0.67 H new ATOM 0 HD12 ILE A 75 4.179 5.444 -1.797 1.00 0.67 H new ATOM 0 HD13 ILE A 75 3.797 6.524 -3.159 1.00 0.67 H new ATOM 1230 N SER A 76 4.300 1.088 -4.855 1.00 0.34 N ATOM 1231 CA SER A 76 4.119 -0.201 -5.481 1.00 0.36 C ATOM 1232 C SER A 76 4.729 -1.308 -4.627 1.00 0.31 C ATOM 1233 O SER A 76 4.231 -2.423 -4.615 1.00 0.33 O ATOM 1234 CB SER A 76 4.689 -0.203 -6.902 1.00 0.45 C ATOM 1235 OG SER A 76 5.860 0.591 -6.998 1.00 0.74 O ATOM 0 H SER A 76 4.953 1.707 -5.335 1.00 0.34 H new ATOM 0 HA SER A 76 3.050 -0.398 -5.559 1.00 0.36 H new ATOM 0 HB2 SER A 76 4.917 -1.226 -7.201 1.00 0.45 H new ATOM 0 HB3 SER A 76 3.937 0.172 -7.596 1.00 0.45 H new ATOM 0 HG SER A 76 6.393 0.488 -6.182 1.00 0.74 H new ATOM 1241 N LEU A 77 5.785 -0.989 -3.882 1.00 0.28 N ATOM 1242 CA LEU A 77 6.383 -1.957 -2.963 1.00 0.26 C ATOM 1243 C LEU A 77 5.330 -2.462 -1.987 1.00 0.23 C ATOM 1244 O LEU A 77 5.190 -3.664 -1.773 1.00 0.23 O ATOM 1245 CB LEU A 77 7.566 -1.317 -2.206 1.00 0.30 C ATOM 1246 CG LEU A 77 8.271 -2.187 -1.144 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.506 -2.207 0.174 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.473 -3.602 -1.660 1.00 1.15 C ATOM 0 H LEU A 77 6.241 -0.077 -3.895 1.00 0.28 H new ATOM 0 HA LEU A 77 6.763 -2.803 -3.535 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.311 -1.008 -2.940 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.206 -0.412 -1.717 1.00 0.30 H new ATOM 0 HG LEU A 77 9.245 -1.738 -0.952 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.037 -2.831 0.893 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.426 -1.192 0.563 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.508 -2.613 0.009 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.971 -4.200 -0.897 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.505 -4.046 -1.894 1.00 1.15 H new ATOM 0 HD23 LEU A 77 9.087 -3.577 -2.560 1.00 1.15 H new ATOM 1260 N VAL A 78 4.582 -1.535 -1.412 1.00 0.24 N ATOM 1261 CA VAL A 78 3.555 -1.881 -0.449 1.00 0.25 C ATOM 1262 C VAL A 78 2.442 -2.660 -1.126 1.00 0.27 C ATOM 1263 O VAL A 78 1.830 -3.514 -0.521 1.00 0.28 O ATOM 1264 CB VAL A 78 2.974 -0.631 0.227 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.018 -1.017 1.342 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.097 0.248 0.753 1.00 0.31 C ATOM 0 H VAL A 78 4.669 -0.536 -1.597 1.00 0.24 H new ATOM 0 HA VAL A 78 4.018 -2.500 0.320 1.00 0.25 H new ATOM 0 HB VAL A 78 2.410 -0.064 -0.513 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.618 -0.116 1.807 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.199 -1.607 0.931 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.550 -1.606 2.090 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.674 1.132 1.231 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.686 -0.311 1.480 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.737 0.554 -0.074 1.00 0.31 H new ATOM 1276 N ALA A 79 2.202 -2.368 -2.391 1.00 0.31 N ATOM 1277 CA ALA A 79 1.245 -3.122 -3.183 1.00 0.35 C ATOM 1278 C ALA A 79 1.666 -4.588 -3.245 1.00 0.33 C ATOM 1279 O ALA A 79 0.875 -5.498 -2.982 1.00 0.33 O ATOM 1280 CB ALA A 79 1.163 -2.527 -4.580 1.00 0.43 C ATOM 0 H ALA A 79 2.660 -1.609 -2.896 1.00 0.31 H new ATOM 0 HA ALA A 79 0.260 -3.066 -2.720 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.445 -3.092 -5.175 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.841 -1.488 -4.514 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.144 -2.574 -5.054 1.00 0.43 H new ATOM 1286 N ILE A 80 2.933 -4.791 -3.581 1.00 0.32 N ATOM 1287 CA ILE A 80 3.551 -6.114 -3.580 1.00 0.32 C ATOM 1288 C ILE A 80 3.423 -6.756 -2.200 1.00 0.28 C ATOM 1289 O ILE A 80 3.078 -7.931 -2.067 1.00 0.31 O ATOM 1290 CB ILE A 80 5.062 -6.017 -3.957 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.271 -5.939 -5.475 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.852 -7.189 -3.387 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.564 -4.790 -6.155 1.00 0.40 C ATOM 0 H ILE A 80 3.565 -4.041 -3.863 1.00 0.32 H new ATOM 0 HA ILE A 80 3.035 -6.727 -4.319 1.00 0.32 H new ATOM 0 HB ILE A 80 5.434 -5.093 -3.514 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.339 -5.860 -5.677 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.930 -6.873 -5.923 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.901 -7.092 -3.668 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.766 -7.192 -2.300 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.455 -8.123 -3.785 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.771 -4.818 -7.225 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.490 -4.875 -5.991 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.921 -3.847 -5.741 1.00 0.40 H new ATOM 1305 N ALA A 81 3.679 -5.954 -1.184 1.00 0.23 N ATOM 1306 CA ALA A 81 3.767 -6.428 0.183 1.00 0.23 C ATOM 1307 C ALA A 81 2.400 -6.729 0.795 1.00 0.23 C ATOM 1308 O ALA A 81 2.264 -7.642 1.605 1.00 0.28 O ATOM 1309 CB ALA A 81 4.510 -5.399 1.006 1.00 0.24 C ATOM 0 H ALA A 81 3.832 -4.951 -1.285 1.00 0.23 H new ATOM 0 HA ALA A 81 4.309 -7.374 0.181 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.584 -5.743 2.038 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.511 -5.260 0.597 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.971 -4.452 0.977 1.00 0.24 H new ATOM 1315 N LEU A 82 1.396 -5.962 0.408 1.00 0.22 N ATOM 1316 CA LEU A 82 0.041 -6.158 0.901 1.00 0.23 C ATOM 1317 C LEU A 82 -0.520 -7.464 0.387 1.00 0.24 C ATOM 1318 O LEU A 82 -1.181 -8.205 1.116 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.860 -5.017 0.464 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.547 -3.664 1.085 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.396 -2.597 0.433 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.780 -3.698 2.585 1.00 0.31 C ATOM 0 H LEU A 82 1.494 -5.191 -0.252 1.00 0.22 H new ATOM 0 HA LEU A 82 0.079 -6.183 1.990 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.799 -4.923 -0.620 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.891 -5.278 0.704 1.00 0.25 H new ATOM 0 HG LEU A 82 0.504 -3.429 0.916 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.170 -1.629 0.880 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.181 -2.563 -0.635 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.450 -2.829 0.584 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.551 -2.721 3.011 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.822 -3.946 2.786 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.134 -4.451 3.036 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.261 -7.749 -0.878 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.681 -9.019 -1.431 1.00 0.33 C ATOM 1336 C LYS A 83 0.215 -10.135 -0.940 1.00 0.31 C ATOM 1337 O LYS A 83 -0.178 -11.286 -0.914 1.00 0.44 O ATOM 1338 CB LYS A 83 -0.724 -9.007 -2.948 1.00 0.42 C ATOM 1339 CG LYS A 83 -2.141 -9.054 -3.467 1.00 0.66 C ATOM 1340 CD LYS A 83 -2.212 -9.525 -4.900 1.00 1.04 C ATOM 1341 CE LYS A 83 -3.469 -10.340 -5.101 1.00 0.80 C ATOM 1342 NZ LYS A 83 -3.700 -10.698 -6.530 1.00 1.67 N ATOM 0 H LYS A 83 0.227 -7.132 -1.527 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.698 -9.195 -1.082 1.00 0.33 H new ATOM 0 HB2 LYS A 83 -0.230 -8.109 -3.319 1.00 0.42 H new ATOM 0 HB3 LYS A 83 -0.166 -9.860 -3.335 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -2.734 -9.719 -2.839 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -2.587 -8.062 -3.391 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -2.208 -8.670 -5.576 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -1.334 -10.125 -5.141 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -3.404 -11.252 -4.508 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -4.325 -9.778 -4.729 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -4.565 -11.270 -6.609 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -3.807 -9.830 -7.093 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -2.890 -11.244 -6.886 1.00 1.67 H new ATOM 1356 N ALA A 84 1.424 -9.795 -0.553 1.00 0.31 N ATOM 1357 CA ALA A 84 2.279 -10.748 0.116 1.00 0.35 C ATOM 1358 C ALA A 84 1.716 -11.086 1.493 1.00 0.33 C ATOM 1359 O ALA A 84 2.005 -12.140 2.047 1.00 0.40 O ATOM 1360 CB ALA A 84 3.683 -10.199 0.235 1.00 0.48 C ATOM 0 H ALA A 84 1.835 -8.871 -0.689 1.00 0.31 H new ATOM 0 HA ALA A 84 2.316 -11.663 -0.476 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.317 -10.927 0.741 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.082 -10.000 -0.760 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.664 -9.273 0.810 1.00 0.48 H new ATOM 1366 N ALA A 85 0.911 -10.176 2.038 1.00 0.30 N ATOM 1367 CA ALA A 85 0.282 -10.386 3.335 1.00 0.38 C ATOM 1368 C ALA A 85 -0.988 -11.226 3.208 1.00 0.44 C ATOM 1369 O ALA A 85 -1.143 -12.224 3.898 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.019 -9.051 4.004 1.00 0.43 C ATOM 0 H ALA A 85 0.680 -9.285 1.598 1.00 0.30 H new ATOM 0 HA ALA A 85 0.982 -10.938 3.962 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.489 -9.227 4.972 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.909 -8.498 4.146 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.693 -8.472 3.373 1.00 0.43 H new ATOM 1376 N HIS A 86 -1.894 -10.835 2.317 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.153 -11.567 2.152 1.00 0.59 C ATOM 1378 C HIS A 86 -2.963 -12.784 1.249 1.00 0.63 C ATOM 1379 O HIS A 86 -3.247 -13.914 1.634 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.240 -10.669 1.565 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.601 -11.297 1.596 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.244 -11.761 0.470 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.432 -11.554 2.633 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.408 -12.277 0.812 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.548 -12.166 2.119 1.00 2.68 N ATOM 0 H HIS A 86 -1.786 -10.027 1.704 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.465 -11.900 3.142 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.266 -9.731 2.119 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -3.983 -10.423 0.535 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.251 -11.321 3.672 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.126 -12.717 0.136 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.353 -12.483 2.659 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.453 -12.521 0.059 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.209 -13.531 -0.973 1.00 0.65 C ATOM 1396 C TYR A 87 -0.921 -14.300 -0.657 1.00 0.62 C ATOM 1397 O TYR A 87 -0.254 -14.809 -1.560 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.139 -12.859 -2.351 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.219 -13.798 -3.536 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.125 -14.851 -3.566 1.00 1.62 C ATOM 1401 CD2 TYR A 87 -1.397 -13.612 -4.639 1.00 1.44 C ATOM 1402 CE1 TYR A 87 -3.204 -15.692 -4.659 1.00 1.80 C ATOM 1403 CE2 TYR A 87 -1.469 -14.448 -5.734 1.00 1.55 C ATOM 1404 CZ TYR A 87 -2.374 -15.487 -5.740 1.00 1.29 C ATOM 1405 OH TYR A 87 -2.454 -16.320 -6.834 1.00 1.52 O ATOM 0 H TYR A 87 -2.189 -11.579 -0.230 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.031 -14.247 -0.988 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.952 -12.137 -2.426 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.207 -12.298 -2.416 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -3.778 -15.015 -2.721 1.00 1.62 H new ATOM 0 HD2 TYR A 87 -0.688 -12.798 -4.640 1.00 1.44 H new ATOM 0 HE1 TYR A 87 -3.913 -16.507 -4.666 1.00 1.80 H new ATOM 0 HE2 TYR A 87 -0.819 -14.289 -6.582 1.00 1.55 H new ATOM 0 HH TYR A 87 -1.801 -16.038 -7.508 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.543 -14.269 0.630 1.00 0.59 N ATOM 1416 CA HIS A 88 0.692 -14.869 1.170 1.00 0.62 C ATOM 1417 C HIS A 88 0.917 -16.346 0.805 1.00 0.69 C ATOM 1418 O HIS A 88 1.711 -17.026 1.457 1.00 0.75 O ATOM 1419 CB HIS A 88 0.714 -14.732 2.704 1.00 0.65 C ATOM 1420 CG HIS A 88 -0.404 -15.442 3.427 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -1.303 -14.790 4.240 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -0.747 -16.754 3.480 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -2.146 -15.660 4.759 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -1.831 -16.859 4.313 1.00 3.26 N ATOM 0 H HIS A 88 -1.105 -13.812 1.348 1.00 0.59 H new ATOM 0 HA HIS A 88 1.502 -14.312 0.700 1.00 0.62 H new ATOM 0 HB2 HIS A 88 1.665 -15.115 3.074 1.00 0.65 H new ATOM 0 HB3 HIS A 88 0.676 -13.673 2.959 1.00 0.65 H new ATOM 0 HD1 HIS A 88 -1.315 -13.785 4.415 1.00 2.37 H new ATOM 0 HD2 HIS A 88 -0.257 -17.565 2.962 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -2.957 -15.429 5.434 1.00 3.25 H new ATOM 1433 N THR A 89 0.249 -16.844 -0.215 1.00 0.73 N ATOM 1434 CA THR A 89 0.487 -18.197 -0.672 1.00 0.81 C ATOM 1435 C THR A 89 1.779 -18.187 -1.471 1.00 0.72 C ATOM 1436 O THR A 89 2.580 -19.119 -1.418 1.00 1.05 O ATOM 1437 CB THR A 89 -0.685 -18.731 -1.532 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.364 -20.018 -2.071 1.00 1.26 O ATOM 1439 CG2 THR A 89 -1.029 -17.770 -2.666 1.00 0.89 C ATOM 0 H THR A 89 -0.460 -16.334 -0.742 1.00 0.73 H new ATOM 0 HA THR A 89 0.566 -18.865 0.186 1.00 0.81 H new ATOM 0 HB THR A 89 -1.555 -18.818 -0.882 1.00 0.97 H new ATOM 0 HG1 THR A 89 -1.115 -20.343 -2.611 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.855 -18.176 -3.249 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.318 -16.805 -2.250 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.159 -17.641 -3.310 1.00 0.89 H new ATOM 1447 N HIS A 90 1.947 -17.072 -2.176 1.00 0.65 N ATOM 1448 CA HIS A 90 3.121 -16.721 -2.952 1.00 0.64 C ATOM 1449 C HIS A 90 2.671 -15.696 -3.980 1.00 0.93 C ATOM 1450 O HIS A 90 2.260 -16.040 -5.087 1.00 1.77 O ATOM 1451 CB HIS A 90 3.836 -17.927 -3.622 1.00 0.91 C ATOM 1452 CG HIS A 90 3.068 -18.656 -4.692 1.00 1.72 C ATOM 1453 ND1 HIS A 90 3.357 -18.530 -6.034 1.00 2.44 N ATOM 1454 CD2 HIS A 90 2.043 -19.537 -4.613 1.00 2.68 C ATOM 1455 CE1 HIS A 90 2.548 -19.301 -6.732 1.00 3.33 C ATOM 1456 NE2 HIS A 90 1.738 -19.925 -5.895 1.00 3.47 N ATOM 0 H HIS A 90 1.225 -16.353 -2.220 1.00 0.65 H new ATOM 0 HA HIS A 90 3.878 -16.318 -2.280 1.00 0.64 H new ATOM 0 HB2 HIS A 90 4.770 -17.571 -4.056 1.00 0.91 H new ATOM 0 HB3 HIS A 90 4.099 -18.643 -2.843 1.00 0.91 H new ATOM 0 HD2 HIS A 90 1.556 -19.873 -3.710 1.00 2.68 H new ATOM 0 HE1 HIS A 90 2.547 -19.405 -7.807 1.00 3.33 H new ATOM 0 HE2 HIS A 90 1.007 -20.586 -6.158 1.00 3.47 H new ATOM 1578 N GLU B 5 5.395 -6.771 9.965 1.00 1.20 N ATOM 1579 CA GLU B 5 4.116 -7.171 9.349 1.00 0.94 C ATOM 1580 C GLU B 5 2.951 -6.219 9.659 1.00 0.69 C ATOM 1581 O GLU B 5 2.030 -6.103 8.853 1.00 0.69 O ATOM 1582 CB GLU B 5 3.739 -8.592 9.782 1.00 1.39 C ATOM 1583 CG GLU B 5 4.775 -9.642 9.422 1.00 1.80 C ATOM 1584 CD GLU B 5 4.477 -10.985 10.051 1.00 2.48 C ATOM 1585 OE1 GLU B 5 3.585 -11.699 9.550 1.00 3.00 O ATOM 1586 OE2 GLU B 5 5.128 -11.329 11.060 1.00 3.10 O ATOM 0 HA GLU B 5 4.280 -7.128 8.272 1.00 0.94 H new ATOM 0 HB2 GLU B 5 3.585 -8.603 10.861 1.00 1.39 H new ATOM 0 HB3 GLU B 5 2.788 -8.861 9.321 1.00 1.39 H new ATOM 0 HG2 GLU B 5 4.815 -9.752 8.338 1.00 1.80 H new ATOM 0 HG3 GLU B 5 5.759 -9.303 9.745 1.00 1.80 H new ATOM 1593 N GLU B 6 3.008 -5.527 10.795 1.00 0.68 N ATOM 1594 CA GLU B 6 1.870 -4.755 11.323 1.00 0.67 C ATOM 1595 C GLU B 6 1.275 -3.784 10.296 1.00 0.54 C ATOM 1596 O GLU B 6 0.071 -3.565 10.268 1.00 0.60 O ATOM 1597 CB GLU B 6 2.306 -3.983 12.572 1.00 0.78 C ATOM 1598 CG GLU B 6 1.170 -3.278 13.298 1.00 1.06 C ATOM 1599 CD GLU B 6 0.183 -4.244 13.922 1.00 1.78 C ATOM 1600 OE1 GLU B 6 0.439 -4.712 15.051 1.00 2.51 O ATOM 1601 OE2 GLU B 6 -0.854 -4.543 13.295 1.00 2.48 O ATOM 0 H GLU B 6 3.842 -5.482 11.380 1.00 0.68 H new ATOM 0 HA GLU B 6 1.088 -5.472 11.572 1.00 0.67 H new ATOM 0 HB2 GLU B 6 2.790 -4.674 13.262 1.00 0.78 H new ATOM 0 HB3 GLU B 6 3.054 -3.243 12.286 1.00 0.78 H new ATOM 0 HG2 GLU B 6 1.585 -2.636 14.076 1.00 1.06 H new ATOM 0 HG3 GLU B 6 0.644 -2.630 12.597 1.00 1.06 H new ATOM 1608 N HIS B 7 2.115 -3.216 9.448 1.00 0.42 N ATOM 1609 CA HIS B 7 1.655 -2.227 8.475 1.00 0.38 C ATOM 1610 C HIS B 7 0.960 -2.887 7.283 1.00 0.35 C ATOM 1611 O HIS B 7 -0.012 -2.356 6.751 1.00 0.39 O ATOM 1612 CB HIS B 7 2.809 -1.319 8.008 1.00 0.43 C ATOM 1613 CG HIS B 7 4.165 -1.970 7.989 1.00 0.95 C ATOM 1614 ND1 HIS B 7 4.684 -2.620 6.887 1.00 1.73 N ATOM 1615 CD2 HIS B 7 5.116 -2.053 8.951 1.00 1.60 C ATOM 1616 CE1 HIS B 7 5.893 -3.075 7.178 1.00 2.16 C ATOM 1617 NE2 HIS B 7 6.175 -2.743 8.423 1.00 2.03 N ATOM 0 H HIS B 7 3.114 -3.418 9.409 1.00 0.42 H new ATOM 0 HA HIS B 7 0.919 -1.600 8.978 1.00 0.38 H new ATOM 0 HB2 HIS B 7 2.583 -0.957 7.005 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.851 -0.447 8.660 1.00 0.43 H new ATOM 0 HD2 HIS B 7 5.051 -1.649 9.951 1.00 1.60 H new ATOM 0 HE1 HIS B 7 6.539 -3.625 6.509 1.00 2.16 H new ATOM 0 HE2 HIS B 7 7.042 -2.964 8.913 1.00 2.03 H new ATOM 1626 N LEU B 8 1.440 -4.057 6.890 1.00 0.34 N ATOM 1627 CA LEU B 8 0.873 -4.777 5.750 1.00 0.33 C ATOM 1628 C LEU B 8 -0.338 -5.582 6.195 1.00 0.34 C ATOM 1629 O LEU B 8 -1.435 -5.428 5.659 1.00 0.34 O ATOM 1630 CB LEU B 8 1.924 -5.699 5.151 1.00 0.33 C ATOM 1631 CG LEU B 8 3.230 -5.001 4.785 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.212 -5.984 4.200 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.976 -3.853 3.816 1.00 0.33 C ATOM 0 H LEU B 8 2.222 -4.532 7.341 1.00 0.34 H new ATOM 0 HA LEU B 8 0.558 -4.059 4.993 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.138 -6.498 5.861 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.513 -6.169 4.257 1.00 0.33 H new ATOM 0 HG LEU B 8 3.662 -4.587 5.696 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.137 -5.467 3.946 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.423 -6.766 4.930 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.787 -6.431 3.301 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.921 -3.370 3.569 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.517 -4.240 2.906 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.308 -3.127 4.279 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.125 -6.420 7.204 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.195 -7.201 7.804 1.00 0.40 C ATOM 1647 C GLU B 9 -2.252 -6.283 8.397 1.00 0.40 C ATOM 1648 O GLU B 9 -3.422 -6.646 8.494 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.634 -8.116 8.891 1.00 0.48 C ATOM 1650 CG GLU B 9 -0.076 -9.424 8.364 1.00 1.24 C ATOM 1651 CD GLU B 9 -1.171 -10.360 7.900 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -1.958 -10.827 8.755 1.00 2.41 O ATOM 1653 OE2 GLU B 9 -1.255 -10.632 6.689 1.00 2.16 O ATOM 0 H GLU B 9 0.791 -6.575 7.626 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.655 -7.812 7.027 1.00 0.40 H new ATOM 0 HB2 GLU B 9 0.153 -7.586 9.428 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -1.422 -8.333 9.612 1.00 0.48 H new ATOM 0 HG2 GLU B 9 0.603 -9.221 7.536 1.00 1.24 H new ATOM 0 HG3 GLU B 9 0.510 -9.909 9.145 1.00 1.24 H new ATOM 1660 N GLY B 10 -1.822 -5.094 8.795 1.00 0.41 N ATOM 1661 CA GLY B 10 -2.731 -4.101 9.323 1.00 0.43 C ATOM 1662 C GLY B 10 -3.702 -3.617 8.274 1.00 0.39 C ATOM 1663 O GLY B 10 -4.907 -3.632 8.495 1.00 0.44 O ATOM 0 H GLY B 10 -0.846 -4.798 8.760 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.283 -4.523 10.162 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.162 -3.256 9.709 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.177 -3.197 7.126 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.012 -2.799 5.997 1.00 0.33 C ATOM 1669 C ILE B 11 -4.978 -3.921 5.625 1.00 0.33 C ATOM 1670 O ILE B 11 -6.181 -3.698 5.467 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.149 -2.442 4.765 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.470 -1.080 4.950 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -3.983 -2.451 3.491 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -3.432 0.087 4.935 1.00 1.16 C ATOM 0 H ILE B 11 -2.174 -3.123 6.953 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.577 -1.917 6.300 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.375 -3.203 4.670 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -1.928 -1.080 5.895 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -1.732 -0.941 4.159 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.351 -2.197 2.640 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.409 -3.443 3.342 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -4.787 -1.720 3.577 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -2.879 1.016 5.071 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -3.957 0.114 3.980 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -4.155 -0.027 5.743 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.438 -5.125 5.509 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.223 -6.297 5.149 1.00 0.38 C ATOM 1688 C VAL B 12 -6.335 -6.563 6.169 1.00 0.40 C ATOM 1689 O VAL B 12 -7.482 -6.835 5.797 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.307 -7.531 5.018 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.108 -8.799 4.802 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.327 -7.322 3.877 1.00 0.48 C ATOM 0 H VAL B 12 -3.448 -5.317 5.661 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.696 -6.101 4.187 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.756 -7.647 5.951 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.429 -9.647 4.714 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.777 -8.955 5.648 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.695 -8.707 3.888 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.681 -8.196 3.787 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.877 -7.180 2.947 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.718 -6.440 4.077 1.00 0.48 H new ATOM 1702 N ASN B 13 -5.995 -6.458 7.447 1.00 0.42 N ATOM 1703 CA ASN B 13 -6.962 -6.646 8.525 1.00 0.49 C ATOM 1704 C ASN B 13 -8.018 -5.546 8.495 1.00 0.48 C ATOM 1705 O ASN B 13 -9.207 -5.804 8.687 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.248 -6.653 9.882 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.203 -6.797 11.051 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -7.699 -5.807 11.590 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.462 -8.026 11.459 1.00 1.42 N ATOM 0 H ASN B 13 -5.050 -6.242 7.766 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.457 -7.606 8.381 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.529 -7.472 9.904 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.682 -5.728 9.994 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -8.092 -8.180 12.246 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -7.032 -8.821 10.987 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.571 -4.322 8.241 1.00 0.48 N ATOM 1717 CA ILE B 14 -8.463 -3.173 8.147 1.00 0.57 C ATOM 1718 C ILE B 14 -9.469 -3.360 7.016 1.00 0.53 C ATOM 1719 O ILE B 14 -10.664 -3.110 7.191 1.00 0.61 O ATOM 1720 CB ILE B 14 -7.664 -1.859 7.948 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -6.925 -1.483 9.237 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.569 -0.720 7.503 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -7.837 -1.254 10.426 1.00 2.06 C ATOM 0 H ILE B 14 -6.586 -4.099 8.095 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.009 -3.099 9.087 1.00 0.57 H new ATOM 0 HB ILE B 14 -6.932 -2.030 7.159 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -6.217 -2.275 9.482 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -6.343 -0.579 9.059 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -7.977 0.186 7.373 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -9.045 -0.981 6.558 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -9.335 -0.547 8.259 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -7.238 -0.992 11.299 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -8.528 -0.441 10.203 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -8.401 -2.164 10.633 1.00 2.06 H new ATOM 1735 N PHE B 15 -8.995 -3.830 5.867 1.00 0.48 N ATOM 1736 CA PHE B 15 -9.876 -4.091 4.739 1.00 0.59 C ATOM 1737 C PHE B 15 -10.905 -5.152 5.111 1.00 0.61 C ATOM 1738 O PHE B 15 -12.096 -4.987 4.861 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.077 -4.543 3.516 1.00 0.69 C ATOM 1740 CG PHE B 15 -9.927 -4.786 2.298 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -10.711 -3.772 1.772 1.00 1.93 C ATOM 1742 CD2 PHE B 15 -9.937 -6.024 1.678 1.00 1.75 C ATOM 1743 CE1 PHE B 15 -11.488 -3.987 0.649 1.00 2.54 C ATOM 1744 CE2 PHE B 15 -10.713 -6.246 0.556 1.00 2.35 C ATOM 1745 CZ PHE B 15 -11.489 -5.227 0.040 1.00 2.58 C ATOM 0 H PHE B 15 -8.011 -4.036 5.695 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.393 -3.164 4.488 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.328 -3.786 3.281 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -8.539 -5.458 3.762 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -10.715 -2.801 2.245 1.00 1.93 H new ATOM 0 HD2 PHE B 15 -9.332 -6.825 2.076 1.00 1.75 H new ATOM 0 HE1 PHE B 15 -12.093 -3.187 0.249 1.00 2.54 H new ATOM 0 HE2 PHE B 15 -10.712 -7.217 0.083 1.00 2.35 H new ATOM 0 HZ PHE B 15 -12.095 -5.399 -0.837 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.436 -6.221 5.741 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.301 -7.321 6.163 1.00 0.72 C ATOM 1757 C HIS B 16 -12.322 -6.851 7.204 1.00 0.75 C ATOM 1758 O HIS B 16 -13.371 -7.470 7.384 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.447 -8.461 6.733 1.00 0.77 C ATOM 1760 CG HIS B 16 -11.232 -9.655 7.189 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -11.216 -10.115 8.489 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -12.048 -10.492 6.507 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -11.986 -11.181 8.586 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -12.503 -11.431 7.399 1.00 2.23 N ATOM 0 H HIS B 16 -9.452 -6.352 5.974 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.851 -7.682 5.294 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.734 -8.779 5.973 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -9.868 -8.079 7.574 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -12.295 -10.432 5.457 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -12.163 -11.752 9.485 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -13.138 -12.198 7.179 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.010 -5.754 7.878 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.867 -5.232 8.930 1.00 0.82 C ATOM 1775 C GLN B 17 -13.993 -4.370 8.363 1.00 0.93 C ATOM 1776 O GLN B 17 -15.154 -4.527 8.744 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.039 -4.414 9.921 1.00 0.85 C ATOM 1778 CG GLN B 17 -12.842 -3.891 11.100 1.00 1.27 C ATOM 1779 CD GLN B 17 -12.004 -3.086 12.076 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -12.503 -2.168 12.725 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -10.733 -3.432 12.195 1.00 2.77 N ATOM 0 H GLN B 17 -11.165 -5.206 7.713 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.319 -6.081 9.442 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.221 -5.031 10.294 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -11.589 -3.571 9.397 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -13.657 -3.269 10.730 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -13.295 -4.731 11.626 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -10.359 -4.200 11.637 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -10.127 -2.931 12.844 1.00 2.77 H new ATOM 1955 N LEU B 28 -18.957 -5.960 -1.544 1.00 1.15 N ATOM 1956 CA LEU B 28 -17.554 -5.586 -1.650 1.00 0.90 C ATOM 1957 C LEU B 28 -17.420 -4.441 -2.648 1.00 0.71 C ATOM 1958 O LEU B 28 -16.421 -4.307 -3.352 1.00 0.76 O ATOM 1959 CB LEU B 28 -16.724 -6.796 -2.096 1.00 1.66 C ATOM 1960 CG LEU B 28 -15.210 -6.662 -1.915 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -14.855 -6.563 -0.439 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -14.489 -7.835 -2.561 1.00 2.37 C ATOM 0 HA LEU B 28 -17.182 -5.258 -0.679 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -17.062 -7.671 -1.541 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -16.931 -6.988 -3.149 1.00 1.66 H new ATOM 0 HG LEU B 28 -14.885 -5.746 -2.408 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -13.775 -6.468 -0.330 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -15.341 -5.689 -0.006 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -15.194 -7.461 0.078 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -13.414 -7.722 -2.422 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -14.819 -8.765 -2.098 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -14.717 -7.860 -3.627 1.00 2.37 H new ATOM 1974 N SER B 29 -18.450 -3.616 -2.694 1.00 0.61 N ATOM 1975 CA SER B 29 -18.544 -2.554 -3.675 1.00 0.48 C ATOM 1976 C SER B 29 -17.970 -1.241 -3.144 1.00 0.44 C ATOM 1977 O SER B 29 -17.344 -1.220 -2.080 1.00 0.53 O ATOM 1978 CB SER B 29 -20.002 -2.382 -4.083 1.00 0.55 C ATOM 1979 OG SER B 29 -20.830 -2.222 -2.943 1.00 1.35 O ATOM 0 H SER B 29 -19.242 -3.664 -2.053 1.00 0.61 H new ATOM 0 HA SER B 29 -17.950 -2.829 -4.546 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.102 -1.514 -4.735 1.00 0.55 H new ATOM 0 HB3 SER B 29 -20.329 -3.250 -4.656 1.00 0.55 H new ATOM 0 HG SER B 29 -21.761 -2.111 -3.228 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.171 -0.155 -3.892 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.654 1.161 -3.517 1.00 0.36 C ATOM 1987 C LYS B 30 -18.060 1.543 -2.094 1.00 0.36 C ATOM 1988 O LYS B 30 -17.340 2.267 -1.420 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.166 2.227 -4.488 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.391 3.540 -4.434 1.00 0.41 C ATOM 1991 CD LYS B 30 -18.105 4.651 -5.194 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.721 4.142 -6.487 1.00 0.52 C ATOM 1993 NZ LYS B 30 -19.424 5.200 -7.256 1.00 1.32 N ATOM 0 H LYS B 30 -18.693 -0.162 -4.768 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.566 1.107 -3.563 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.120 1.831 -5.503 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.215 2.427 -4.271 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.256 3.840 -3.395 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.397 3.393 -4.855 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.884 5.080 -4.564 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.399 5.451 -5.417 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -17.938 3.709 -7.109 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.424 3.341 -6.257 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -19.274 5.047 -8.274 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -20.442 5.163 -7.046 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -19.049 6.132 -6.987 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.212 1.049 -1.645 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.713 1.380 -0.319 1.00 0.40 C ATOM 2009 C GLY B 31 -18.749 1.015 0.792 1.00 0.38 C ATOM 2010 O GLY B 31 -18.491 1.824 1.688 1.00 0.39 O ATOM 0 H GLY B 31 -19.812 0.421 -2.180 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -19.922 2.449 -0.273 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.658 0.863 -0.155 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.218 -0.199 0.731 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.289 -0.688 1.744 1.00 0.50 C ATOM 2016 C GLU B 32 -16.021 0.152 1.741 1.00 0.42 C ATOM 2017 O GLU B 32 -15.511 0.547 2.792 1.00 0.44 O ATOM 2018 CB GLU B 32 -16.932 -2.146 1.470 1.00 0.67 C ATOM 2019 CG GLU B 32 -18.140 -3.052 1.278 1.00 0.96 C ATOM 2020 CD GLU B 32 -19.022 -3.146 2.506 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -18.738 -3.977 3.394 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -20.019 -2.394 2.582 1.00 2.43 O ATOM 0 H GLU B 32 -18.416 -0.867 -0.014 1.00 0.44 H new ATOM 0 HA GLU B 32 -17.769 -0.612 2.720 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.308 -2.195 0.578 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.334 -2.525 2.299 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -18.733 -2.682 0.441 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -17.797 -4.051 1.009 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.534 0.424 0.539 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.352 1.241 0.343 1.00 0.34 C ATOM 2031 C LEU B 33 -14.588 2.627 0.919 1.00 0.30 C ATOM 2032 O LEU B 33 -13.806 3.114 1.723 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.051 1.337 -1.151 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.718 1.989 -1.516 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.556 1.098 -1.106 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.659 2.301 -3.002 1.00 0.46 C ATOM 0 H LEU B 33 -15.950 0.082 -0.327 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.502 0.788 0.853 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.071 0.332 -1.573 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.853 1.899 -1.629 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.637 2.929 -0.970 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.616 1.580 -1.374 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.585 0.934 -0.029 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.633 0.140 -1.621 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.701 2.765 -3.239 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.766 1.378 -3.572 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.467 2.984 -3.263 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.699 3.226 0.514 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.098 4.557 0.953 1.00 0.31 C ATOM 2050 C LYS B 34 -16.137 4.653 2.474 1.00 0.35 C ATOM 2051 O LYS B 34 -15.588 5.592 3.049 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.469 4.893 0.361 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.108 6.147 0.936 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.512 6.350 0.392 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.188 7.557 1.022 1.00 1.30 C ATOM 2056 NZ LYS B 34 -21.603 7.689 0.587 1.00 1.87 N ATOM 0 H LYS B 34 -16.357 2.797 -0.137 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.359 5.277 0.600 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.367 5.013 -0.717 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.139 4.049 0.525 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.144 6.074 2.023 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.493 7.014 0.695 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.468 6.480 -0.689 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.109 5.458 0.582 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -20.149 7.470 2.108 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -19.640 8.461 0.755 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -22.029 8.524 1.038 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -21.640 7.798 -0.447 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -22.132 6.838 0.864 1.00 1.87 H new ATOM 2070 N GLN B 35 -16.786 3.679 3.112 1.00 0.36 N ATOM 2071 CA GLN B 35 -16.854 3.618 4.565 1.00 0.43 C ATOM 2072 C GLN B 35 -15.457 3.672 5.160 1.00 0.43 C ATOM 2073 O GLN B 35 -15.147 4.564 5.945 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.569 2.341 5.005 1.00 0.50 C ATOM 2075 CG GLN B 35 -17.751 2.255 6.506 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.363 0.946 6.960 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -17.655 -0.017 7.254 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -19.684 0.899 7.019 1.00 2.06 N ATOM 0 H GLN B 35 -17.274 2.919 2.638 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.419 4.477 4.926 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.545 2.292 4.522 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.001 1.476 4.663 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -16.783 2.383 6.991 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.384 3.078 6.836 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -20.235 1.719 6.767 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -20.151 0.042 7.317 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.611 2.735 4.751 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.237 2.680 5.219 1.00 0.39 C ATOM 2089 C LEU B 36 -12.542 4.019 4.994 1.00 0.38 C ATOM 2090 O LEU B 36 -11.957 4.584 5.904 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.504 1.553 4.483 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.037 1.340 4.858 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -10.651 -0.110 4.632 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.134 2.246 4.036 1.00 0.40 C ATOM 0 H LEU B 36 -14.858 1.998 4.090 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.223 2.477 6.290 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.041 0.622 4.662 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.558 1.752 3.413 1.00 0.37 H new ATOM 0 HG LEU B 36 -10.912 1.588 5.912 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.605 -0.254 4.901 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.277 -0.754 5.250 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -10.794 -0.365 3.582 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.095 2.078 4.319 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.262 2.023 2.977 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.397 3.287 4.222 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.643 4.521 3.782 1.00 0.34 N ATOM 2107 CA LEU B 37 -11.966 5.746 3.381 1.00 0.35 C ATOM 2108 C LEU B 37 -12.381 6.953 4.217 1.00 0.41 C ATOM 2109 O LEU B 37 -11.527 7.657 4.756 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.250 6.020 1.911 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.731 4.951 0.952 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.152 5.253 -0.476 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.222 4.834 1.059 1.00 0.32 C ATOM 0 H LEU B 37 -13.198 4.093 3.041 1.00 0.34 H new ATOM 0 HA LEU B 37 -10.899 5.596 3.546 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.327 6.119 1.775 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.805 6.978 1.641 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.171 3.994 1.233 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.770 4.477 -1.140 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.240 5.279 -0.537 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.748 6.220 -0.778 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.867 4.068 0.370 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.764 5.790 0.806 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -9.950 4.559 2.078 1.00 0.32 H new ATOM 2125 N THR B 38 -13.680 7.185 4.331 1.00 0.45 N ATOM 2126 CA THR B 38 -14.186 8.378 4.988 1.00 0.53 C ATOM 2127 C THR B 38 -13.811 8.404 6.468 1.00 0.59 C ATOM 2128 O THR B 38 -13.618 9.474 7.045 1.00 0.67 O ATOM 2129 CB THR B 38 -15.723 8.516 4.823 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.190 9.720 5.439 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.464 7.330 5.422 1.00 1.03 C ATOM 0 H THR B 38 -14.404 6.560 3.976 1.00 0.45 H new ATOM 0 HA THR B 38 -13.714 9.230 4.499 1.00 0.53 H new ATOM 0 HB THR B 38 -15.926 8.547 3.753 1.00 0.56 H new ATOM 0 HG1 THR B 38 -17.161 9.791 5.324 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.537 7.465 5.286 1.00 1.03 H new ATOM 0 HG22 THR B 38 -16.147 6.414 4.924 1.00 1.03 H new ATOM 0 HG23 THR B 38 -16.239 7.260 6.486 1.00 1.03 H new ATOM 2139 N LYS B 39 -13.702 7.233 7.085 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.406 7.175 8.506 1.00 0.67 C ATOM 2141 C LYS B 39 -11.922 6.949 8.803 1.00 0.65 C ATOM 2142 O LYS B 39 -11.418 7.430 9.812 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.272 6.121 9.191 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.055 4.708 8.691 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.299 3.837 8.864 1.00 0.74 C ATOM 2146 CE LYS B 39 -15.714 3.677 10.327 1.00 0.87 C ATOM 2147 NZ LYS B 39 -16.404 4.880 10.869 1.00 1.62 N ATOM 0 H LYS B 39 -13.812 6.327 6.630 1.00 0.58 H new ATOM 0 HA LYS B 39 -13.650 8.154 8.917 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.075 6.148 10.263 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.321 6.385 9.053 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -13.777 4.736 7.637 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.221 4.258 9.229 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.124 4.276 8.303 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.110 2.853 8.435 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.373 2.814 10.420 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -14.830 3.469 10.930 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -17.128 4.585 11.555 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -15.710 5.495 11.340 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -16.856 5.401 10.091 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.222 6.235 7.928 1.00 0.57 N ATOM 2162 CA GLU B 40 -9.829 5.861 8.182 1.00 0.58 C ATOM 2163 C GLU B 40 -8.861 6.836 7.535 1.00 0.56 C ATOM 2164 O GLU B 40 -7.829 7.188 8.110 1.00 0.64 O ATOM 2165 CB GLU B 40 -9.551 4.460 7.636 1.00 0.58 C ATOM 2166 CG GLU B 40 -10.095 3.343 8.494 1.00 0.88 C ATOM 2167 CD GLU B 40 -9.307 3.172 9.777 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -8.056 3.199 9.719 1.00 1.63 O ATOM 2169 OE2 GLU B 40 -9.928 3.018 10.848 1.00 1.67 O ATOM 0 H GLU B 40 -11.592 5.903 7.038 1.00 0.57 H new ATOM 0 HA GLU B 40 -9.680 5.882 9.262 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -9.981 4.379 6.638 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -8.474 4.330 7.530 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -11.138 3.547 8.735 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.074 2.411 7.930 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.198 7.253 6.330 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.301 8.066 5.517 1.00 0.49 C ATOM 2178 C LEU B 41 -8.790 9.502 5.438 1.00 0.53 C ATOM 2179 O LEU B 41 -8.373 10.263 4.562 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.180 7.483 4.102 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.357 6.193 3.974 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -8.031 5.024 4.668 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -7.126 5.861 2.516 1.00 1.42 C ATOM 0 H LEU B 41 -10.092 7.043 5.886 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.320 8.057 5.993 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.184 7.289 3.723 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.736 8.240 3.455 1.00 0.43 H new ATOM 0 HG LEU B 41 -6.399 6.366 4.464 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.417 4.130 4.554 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.151 5.250 5.728 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -9.010 4.851 4.221 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.541 4.944 2.440 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -8.086 5.722 2.018 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -6.584 6.677 2.038 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.669 9.859 6.372 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.286 11.184 6.414 1.00 0.64 C ATOM 2197 C ALA B 42 -9.258 12.313 6.333 1.00 0.71 C ATOM 2198 O ALA B 42 -9.510 13.349 5.716 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.117 11.332 7.677 1.00 0.71 C ATOM 0 H ALA B 42 -9.974 9.238 7.121 1.00 0.58 H new ATOM 0 HA ALA B 42 -10.927 11.266 5.536 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.572 12.322 7.699 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -11.899 10.573 7.689 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.477 11.208 8.550 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.100 12.107 6.940 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.078 13.142 7.001 1.00 0.83 C ATOM 2207 C ASN B 43 -5.883 12.802 6.123 1.00 0.83 C ATOM 2208 O ASN B 43 -4.795 13.350 6.307 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.603 13.345 8.441 1.00 1.00 C ATOM 2210 CG ASN B 43 -7.559 14.168 9.285 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -8.773 14.155 9.079 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -7.009 14.893 10.245 1.00 2.16 N ATOM 0 H ASN B 43 -7.843 11.232 7.398 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.530 14.062 6.631 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -6.464 12.371 8.910 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -5.629 13.834 8.428 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -7.595 15.470 10.848 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -5.998 14.875 10.382 1.00 2.16 H new ATOM 2219 N THR B 44 -6.070 11.909 5.165 1.00 0.65 N ATOM 2220 CA THR B 44 -4.967 11.489 4.324 1.00 0.61 C ATOM 2221 C THR B 44 -5.213 11.879 2.874 1.00 0.59 C ATOM 2222 O THR B 44 -4.515 12.724 2.316 1.00 0.66 O ATOM 2223 CB THR B 44 -4.751 9.968 4.421 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.714 9.572 5.799 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.451 9.567 3.747 1.00 0.52 C ATOM 0 H THR B 44 -6.965 11.467 4.954 1.00 0.65 H new ATOM 0 HA THR B 44 -4.070 11.996 4.679 1.00 0.61 H new ATOM 0 HB THR B 44 -5.578 9.469 3.915 1.00 0.55 H new ATOM 0 HG1 THR B 44 -4.138 8.785 5.898 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.317 8.488 3.827 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.483 9.852 2.695 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.617 10.073 4.234 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.234 11.286 2.283 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.541 11.515 0.884 1.00 0.51 C ATOM 2235 C ILE B 45 -7.296 12.828 0.712 1.00 0.59 C ATOM 2236 O ILE B 45 -8.161 13.163 1.528 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.361 10.345 0.313 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.562 9.037 0.395 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.774 10.630 -1.124 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.261 7.858 -0.249 1.00 0.35 C ATOM 0 H ILE B 45 -6.867 10.639 2.753 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.603 11.580 0.332 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.264 10.235 0.913 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.594 9.182 -0.085 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.367 8.805 1.442 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.353 9.791 -1.509 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.381 11.535 -1.155 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.884 10.769 -1.738 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.638 6.969 -0.153 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.217 7.687 0.246 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.432 8.069 -1.305 1.00 0.35 H new ATOM 2252 N LYS B 46 -6.941 13.578 -0.338 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.549 14.878 -0.595 1.00 0.74 C ATOM 2254 C LYS B 46 -9.058 14.731 -0.700 1.00 0.68 C ATOM 2255 O LYS B 46 -9.556 13.957 -1.516 1.00 0.63 O ATOM 2256 CB LYS B 46 -6.957 15.537 -1.869 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.641 15.183 -3.189 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.822 16.109 -3.490 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.456 15.776 -4.829 1.00 0.88 C ATOM 2260 NZ LYS B 46 -10.605 16.667 -5.146 1.00 1.61 N ATOM 0 H LYS B 46 -6.235 13.302 -1.021 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.321 15.539 0.242 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -6.993 16.619 -1.744 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -5.906 15.259 -1.942 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.916 15.245 -4.001 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.990 14.151 -3.151 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.568 16.020 -2.700 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.483 17.145 -3.493 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -8.706 15.861 -5.615 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -9.794 14.740 -4.821 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -11.005 16.402 -6.069 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -11.334 16.568 -4.411 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -10.280 17.654 -5.180 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.766 15.443 0.169 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.227 15.452 0.171 1.00 0.67 C ATOM 2276 C ASN B 47 -11.798 14.051 0.034 1.00 0.59 C ATOM 2277 O ASN B 47 -12.735 13.828 -0.728 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.769 16.327 -0.955 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.593 17.809 -0.690 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.633 18.233 -0.043 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.525 18.610 -1.177 1.00 1.24 N ATOM 0 H ASN B 47 -9.347 16.029 0.891 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.538 15.863 1.131 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.263 16.067 -1.885 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -12.828 16.112 -1.097 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -12.464 19.616 -1.022 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.305 18.222 -1.708 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.231 13.111 0.779 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.678 11.718 0.757 1.00 0.48 C ATOM 2290 C ILE B 48 -13.147 11.600 1.179 1.00 0.48 C ATOM 2291 O ILE B 48 -13.759 10.538 1.106 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.804 10.861 1.694 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.087 9.370 1.507 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.029 11.262 3.140 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.877 8.891 0.090 1.00 0.38 C ATOM 0 H ILE B 48 -10.452 13.288 1.413 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.580 11.355 -0.266 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.760 11.041 1.436 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.442 8.799 2.175 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.115 9.163 1.804 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.405 10.648 3.789 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.767 12.312 3.272 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.077 11.115 3.399 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.096 7.825 0.030 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.541 9.436 -0.581 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.842 9.066 -0.204 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.699 12.713 1.611 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.069 12.770 2.061 1.00 0.57 C ATOM 2309 C LYS B 49 -15.996 12.998 0.880 1.00 0.55 C ATOM 2310 O LYS B 49 -17.218 12.921 1.002 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.213 13.894 3.071 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.146 13.857 4.149 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.110 12.522 4.881 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.097 12.453 6.039 1.00 0.83 C ATOM 2315 NZ LYS B 49 -16.516 12.526 5.596 1.00 1.11 N ATOM 0 H LYS B 49 -13.207 13.605 1.659 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.340 11.825 2.532 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.165 14.851 2.552 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.196 13.833 3.537 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.172 14.049 3.699 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.329 14.657 4.866 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.329 11.721 4.175 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.102 12.348 5.258 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -14.940 11.525 6.588 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -14.895 13.271 6.731 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -17.119 12.024 6.279 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -16.811 13.522 5.540 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.611 12.084 4.660 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.397 13.285 -0.261 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.144 13.513 -1.482 1.00 0.56 C ATOM 2331 C ASP B 50 -16.337 12.222 -2.243 1.00 0.50 C ATOM 2332 O ASP B 50 -15.386 11.490 -2.506 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.435 14.530 -2.376 1.00 0.62 C ATOM 2334 CG ASP B 50 -15.885 15.953 -2.126 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.079 16.252 -2.350 1.00 1.56 O ATOM 2336 OD2 ASP B 50 -15.047 16.781 -1.710 1.00 1.59 O ATOM 0 H ASP B 50 -14.386 13.366 -0.367 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.119 13.910 -1.200 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.359 14.461 -2.213 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.616 14.276 -3.420 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.581 11.961 -2.599 1.00 0.50 N ATOM 2342 CA LYS B 51 -17.938 10.804 -3.398 1.00 0.48 C ATOM 2343 C LYS B 51 -17.293 10.894 -4.768 1.00 0.49 C ATOM 2344 O LYS B 51 -17.012 9.883 -5.389 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.449 10.741 -3.545 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.961 9.607 -4.423 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.683 8.240 -3.821 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.327 7.135 -4.650 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.783 7.369 -4.852 1.00 0.92 N ATOM 0 H LYS B 51 -18.375 12.547 -2.341 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.581 9.902 -2.901 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.892 10.642 -2.554 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.799 11.687 -3.958 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -21.034 9.724 -4.574 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -19.492 9.671 -5.405 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.607 8.076 -3.764 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -20.065 8.204 -2.801 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.832 7.073 -5.619 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -20.179 6.176 -4.154 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -22.243 6.477 -5.125 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -22.204 7.720 -3.968 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.920 8.074 -5.604 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.059 12.115 -5.228 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.395 12.327 -6.502 1.00 0.60 C ATOM 2365 C ALA B 52 -14.947 11.906 -6.387 1.00 0.57 C ATOM 2366 O ALA B 52 -14.364 11.364 -7.324 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.485 13.783 -6.920 1.00 0.67 C ATOM 0 H ALA B 52 -17.319 12.971 -4.738 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.891 11.725 -7.264 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.981 13.919 -7.877 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.532 14.069 -7.018 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.007 14.408 -6.166 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.395 12.132 -5.205 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.021 11.759 -4.904 1.00 0.53 C ATOM 2375 C VAL B 53 -12.933 10.256 -4.742 1.00 0.47 C ATOM 2376 O VAL B 53 -12.086 9.595 -5.337 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.526 12.449 -3.614 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.241 11.817 -3.097 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.315 13.931 -3.858 1.00 0.60 C ATOM 0 H VAL B 53 -14.885 12.578 -4.429 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.387 12.084 -5.729 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.294 12.315 -2.853 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -10.924 12.329 -2.189 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.416 10.764 -2.878 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.462 11.905 -3.854 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -11.966 14.405 -2.940 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.571 14.068 -4.643 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.256 14.387 -4.166 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.840 9.729 -3.944 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.934 8.298 -3.722 1.00 0.36 C ATOM 2391 C ILE B 54 -14.174 7.553 -5.023 1.00 0.38 C ATOM 2392 O ILE B 54 -13.651 6.466 -5.229 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.061 7.996 -2.741 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.709 8.631 -1.403 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.288 6.491 -2.608 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.652 8.269 -0.287 1.00 0.38 C ATOM 0 H ILE B 54 -14.531 10.278 -3.432 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.986 7.959 -3.305 1.00 0.36 H new ATOM 0 HB ILE B 54 -15.997 8.417 -3.108 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.699 8.330 -1.124 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.698 9.715 -1.518 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.098 6.306 -1.902 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.553 6.076 -3.580 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.376 6.016 -2.247 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.334 8.761 0.632 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.660 8.595 -0.542 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -15.646 7.189 -0.142 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.962 8.152 -5.893 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.264 7.567 -7.188 1.00 0.47 C ATOM 2410 C ASP B 55 -14.014 7.549 -8.043 1.00 0.48 C ATOM 2411 O ASP B 55 -13.712 6.559 -8.699 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.363 8.362 -7.881 1.00 0.54 C ATOM 2413 CG ASP B 55 -17.588 7.525 -8.144 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.574 6.720 -9.093 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -18.571 7.651 -7.385 1.00 1.53 O ATOM 0 H ASP B 55 -15.410 9.053 -5.726 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.613 6.544 -7.045 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -16.635 9.218 -7.263 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.985 8.757 -8.824 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.287 8.655 -8.001 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.002 8.774 -8.669 1.00 0.53 C ATOM 2422 C GLU B 56 -11.075 7.638 -8.259 1.00 0.47 C ATOM 2423 O GLU B 56 -10.469 6.970 -9.102 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.365 10.113 -8.308 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.901 11.288 -9.107 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.694 11.112 -10.594 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.535 11.196 -11.050 1.00 1.77 O ATOM 2428 OE2 GLU B 56 -12.686 10.870 -11.314 1.00 1.66 O ATOM 0 H GLU B 56 -13.573 9.497 -7.501 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.160 8.719 -9.746 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.525 10.305 -7.247 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.288 10.044 -8.461 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -12.965 11.409 -8.902 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.407 12.203 -8.779 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.980 7.418 -6.956 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.121 6.390 -6.409 1.00 0.39 C ATOM 2437 C ILE B 57 -10.636 5.005 -6.765 1.00 0.36 C ATOM 2438 O ILE B 57 -9.914 4.193 -7.329 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.067 6.522 -4.892 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.617 7.928 -4.505 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -9.137 5.479 -4.311 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.726 8.208 -3.030 1.00 1.00 C ATOM 0 H ILE B 57 -11.496 7.948 -6.254 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.125 6.517 -6.834 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.064 6.356 -4.484 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.583 8.069 -4.818 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.217 8.656 -5.050 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -9.106 5.583 -3.226 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.499 4.484 -4.570 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -8.135 5.618 -4.717 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.390 9.225 -2.827 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.764 8.099 -2.715 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -9.104 7.503 -2.479 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.896 4.767 -6.434 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.560 3.496 -6.686 1.00 0.36 C ATOM 2456 C PHE B 58 -12.391 3.074 -8.138 1.00 0.41 C ATOM 2457 O PHE B 58 -12.049 1.934 -8.427 1.00 0.44 O ATOM 2458 CB PHE B 58 -14.045 3.628 -6.348 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.870 2.427 -6.704 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.810 1.280 -5.934 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -15.716 2.455 -7.799 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -15.580 0.182 -6.250 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -16.486 1.359 -8.120 1.00 1.67 C ATOM 2464 CZ PHE B 58 -16.418 0.222 -7.343 1.00 0.93 C ATOM 0 H PHE B 58 -12.493 5.457 -5.978 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.106 2.730 -6.057 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.146 3.820 -5.280 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.448 4.497 -6.868 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.154 1.245 -5.077 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -15.773 3.345 -8.408 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -15.527 -0.709 -5.642 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -17.141 1.390 -8.978 1.00 1.67 H new ATOM 0 HZ PHE B 58 -17.022 -0.638 -7.591 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.616 4.015 -9.039 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.491 3.766 -10.467 1.00 0.52 C ATOM 2476 C GLN B 59 -11.036 3.539 -10.863 1.00 0.52 C ATOM 2477 O GLN B 59 -10.747 2.910 -11.880 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.078 4.940 -11.243 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.596 4.967 -11.230 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.201 3.825 -12.024 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -15.460 3.958 -13.218 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -15.424 2.694 -11.370 1.00 1.63 N ATOM 0 H GLN B 59 -12.889 4.969 -8.804 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.044 2.859 -10.711 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.701 5.871 -10.820 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -12.731 4.895 -12.275 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.949 4.917 -10.200 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -14.943 5.915 -11.640 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -15.195 2.624 -10.379 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -15.825 1.893 -11.858 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.125 4.067 -10.057 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.711 3.837 -10.284 1.00 0.49 C ATOM 2493 C GLY B 60 -8.276 2.449 -9.847 1.00 0.47 C ATOM 2494 O GLY B 60 -7.253 1.939 -10.307 1.00 0.53 O ATOM 0 H GLY B 60 -10.340 4.651 -9.249 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.489 3.968 -11.343 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.132 4.584 -9.742 1.00 0.49 H new ATOM 2498 N LEU B 61 -9.046 1.834 -8.953 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.737 0.490 -8.483 1.00 0.44 C ATOM 2500 C LEU B 61 -9.537 -0.529 -9.273 1.00 0.51 C ATOM 2501 O LEU B 61 -9.003 -1.550 -9.701 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.053 0.330 -6.992 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.104 1.624 -6.182 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.721 1.362 -4.821 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.711 2.221 -6.032 1.00 0.35 C ATOM 0 H LEU B 61 -9.885 2.244 -8.542 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.670 0.325 -8.629 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -10.014 -0.175 -6.896 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.303 -0.325 -6.549 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.725 2.344 -6.715 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.753 2.291 -4.251 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.734 0.979 -4.948 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -9.120 0.628 -4.284 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.770 3.142 -5.452 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -7.064 1.510 -5.519 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.301 2.439 -7.018 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.822 -0.223 -9.460 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.745 -1.086 -10.197 1.00 0.59 C ATOM 2519 C ASP B 62 -11.402 -1.080 -11.682 1.00 0.70 C ATOM 2520 O ASP B 62 -12.108 -0.498 -12.508 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.197 -0.627 -9.970 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.224 -1.480 -10.703 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -14.286 -2.701 -10.455 1.00 1.11 O ATOM 2524 OD2 ASP B 62 -14.982 -0.928 -11.532 1.00 1.40 O ATOM 0 H ASP B 62 -11.252 0.631 -9.104 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.645 -2.107 -9.827 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.414 -0.648 -8.902 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.298 0.409 -10.295 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.290 -1.711 -12.006 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.827 -1.815 -13.375 1.00 0.94 C ATOM 2531 C ALA B 63 -10.571 -2.923 -14.091 1.00 1.12 C ATOM 2532 O ALA B 63 -10.674 -2.938 -15.318 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.334 -2.080 -13.402 1.00 1.00 C ATOM 0 H ALA B 63 -9.682 -2.167 -11.326 1.00 0.78 H new ATOM 0 HA ALA B 63 -10.023 -0.873 -13.888 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -7.997 -2.156 -14.436 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.810 -1.261 -12.909 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.121 -3.013 -12.881 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.103 -3.843 -13.303 1.00 1.10 N ATOM 2540 CA ASN B 64 -11.800 -4.998 -13.836 1.00 1.28 C ATOM 2541 C ASN B 64 -13.245 -4.646 -14.164 1.00 1.22 C ATOM 2542 O ASN B 64 -13.936 -5.379 -14.875 1.00 1.37 O ATOM 2543 CB ASN B 64 -11.736 -6.152 -12.838 1.00 1.34 C ATOM 2544 CG ASN B 64 -10.317 -6.645 -12.613 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -9.841 -7.544 -13.309 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -9.633 -6.068 -11.636 1.00 2.80 N ATOM 0 H ASN B 64 -11.064 -3.810 -12.284 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.311 -5.309 -14.759 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -12.161 -5.830 -11.887 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -12.351 -6.976 -13.200 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -8.677 -6.365 -11.438 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -10.062 -5.327 -11.082 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.675 -3.498 -13.638 1.00 1.04 N ATOM 2554 CA GLN B 65 -14.984 -2.922 -13.936 1.00 1.06 C ATOM 2555 C GLN B 65 -16.119 -3.791 -13.412 1.00 1.04 C ATOM 2556 O GLN B 65 -17.146 -3.951 -14.070 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.148 -2.684 -15.441 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.106 -1.747 -16.030 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.316 -1.499 -17.510 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -14.833 -2.354 -18.231 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -13.921 -0.326 -17.975 1.00 2.58 N ATOM 0 H GLN B 65 -13.120 -2.940 -12.989 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.036 -1.962 -13.422 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -15.096 -3.642 -15.959 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.140 -2.273 -15.629 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -14.136 -0.796 -15.498 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -13.113 -2.169 -15.873 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -13.497 0.356 -17.346 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -14.040 -0.103 -18.963 1.00 2.58 H new ATOM 2570 N ASP B 66 -15.939 -4.341 -12.220 1.00 0.93 N ATOM 2571 CA ASP B 66 -16.986 -5.133 -11.585 1.00 0.95 C ATOM 2572 C ASP B 66 -17.667 -4.325 -10.498 1.00 0.81 C ATOM 2573 O ASP B 66 -18.616 -4.789 -9.864 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.431 -6.427 -10.987 1.00 1.06 C ATOM 2575 CG ASP B 66 -16.164 -7.492 -12.028 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -17.134 -8.118 -12.502 1.00 2.14 O ATOM 2577 OD2 ASP B 66 -14.986 -7.724 -12.365 1.00 1.88 O ATOM 0 H ASP B 66 -15.082 -4.255 -11.674 1.00 0.93 H new ATOM 0 HA ASP B 66 -17.710 -5.397 -12.356 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -15.506 -6.207 -10.454 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -17.137 -6.814 -10.252 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.156 -3.115 -10.287 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.677 -2.203 -9.275 1.00 0.63 C ATOM 2584 C GLU B 67 -17.497 -2.814 -7.886 1.00 0.58 C ATOM 2585 O GLU B 67 -18.268 -2.558 -6.959 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.151 -1.865 -9.553 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.672 -0.674 -8.762 1.00 0.97 C ATOM 2588 CD GLU B 67 -21.104 -0.328 -9.106 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.312 0.457 -10.057 1.00 2.00 O ATOM 2590 OE2 GLU B 67 -22.027 -0.826 -8.425 1.00 2.01 O ATOM 0 H GLU B 67 -16.368 -2.739 -10.814 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.116 -1.269 -9.315 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.272 -1.663 -10.617 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.763 -2.737 -9.323 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.601 -0.891 -7.696 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -19.037 0.191 -8.954 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.455 -3.622 -7.755 1.00 0.62 N ATOM 2598 CA GLN B 68 -16.138 -4.282 -6.501 1.00 0.66 C ATOM 2599 C GLN B 68 -14.637 -4.257 -6.276 1.00 0.66 C ATOM 2600 O GLN B 68 -13.881 -4.809 -7.071 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.629 -5.732 -6.505 1.00 0.86 C ATOM 2602 CG GLN B 68 -18.139 -5.878 -6.564 1.00 1.38 C ATOM 2603 CD GLN B 68 -18.579 -7.328 -6.569 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -17.910 -8.196 -6.008 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -19.705 -7.600 -7.205 1.00 2.07 N ATOM 0 H GLN B 68 -15.808 -3.837 -8.514 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.642 -3.748 -5.696 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -16.192 -6.249 -7.359 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -16.262 -6.231 -5.608 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -18.584 -5.369 -5.709 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -18.514 -5.384 -7.460 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -20.229 -6.851 -7.657 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -20.050 -8.559 -7.244 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.209 -3.617 -5.201 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.791 -3.520 -4.893 1.00 0.64 C ATOM 2616 C VAL B 69 -12.237 -4.871 -4.459 1.00 0.64 C ATOM 2617 O VAL B 69 -12.516 -5.346 -3.359 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.528 -2.500 -3.767 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -11.037 -2.256 -3.597 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -13.257 -1.198 -4.037 1.00 1.22 C ATOM 0 H VAL B 69 -14.822 -3.157 -4.527 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.291 -3.189 -5.803 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.913 -2.918 -2.837 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -10.875 -1.533 -2.797 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -10.541 -3.193 -3.344 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -10.624 -1.866 -4.527 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -13.056 -0.494 -3.229 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -12.911 -0.776 -4.980 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -14.329 -1.387 -4.096 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.461 -5.489 -5.337 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.758 -6.720 -5.001 1.00 0.73 C ATOM 2632 C ASP B 70 -9.603 -6.410 -4.060 1.00 0.64 C ATOM 2633 O ASP B 70 -9.230 -5.250 -3.909 1.00 0.56 O ATOM 2634 CB ASP B 70 -10.236 -7.393 -6.273 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.438 -8.657 -6.009 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -10.055 -9.726 -5.824 1.00 2.02 O ATOM 2637 OD2 ASP B 70 -8.190 -8.581 -5.982 1.00 1.98 O ATOM 0 H ASP B 70 -11.302 -5.158 -6.289 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.449 -7.402 -4.505 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -11.080 -7.635 -6.919 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.611 -6.686 -6.818 1.00 0.84 H new ATOM 2642 N PHE B 71 -9.038 -7.428 -3.437 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.915 -7.237 -2.533 1.00 0.67 C ATOM 2644 C PHE B 71 -6.766 -6.523 -3.245 1.00 0.56 C ATOM 2645 O PHE B 71 -6.135 -5.633 -2.683 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.447 -8.585 -1.987 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.557 -9.386 -1.373 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -8.955 -9.153 -0.069 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -9.212 -10.365 -2.104 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -9.985 -9.877 0.496 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -10.242 -11.095 -1.545 1.00 1.76 C ATOM 2652 CZ PHE B 71 -10.630 -10.850 -0.244 1.00 1.77 C ATOM 0 H PHE B 71 -9.338 -8.398 -3.540 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.241 -6.614 -1.700 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -6.995 -9.161 -2.795 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.670 -8.419 -1.240 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -8.453 -8.395 0.514 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -8.913 -10.559 -3.123 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -10.287 -9.684 1.515 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -10.743 -11.856 -2.125 1.00 1.76 H new ATOM 0 HZ PHE B 71 -11.437 -11.418 0.196 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.529 -6.891 -4.500 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.449 -6.298 -5.279 1.00 0.57 C ATOM 2664 C GLN B 72 -5.817 -4.891 -5.745 1.00 0.50 C ATOM 2665 O GLN B 72 -4.963 -4.018 -5.875 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.105 -7.190 -6.466 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.105 -6.570 -7.421 1.00 0.75 C ATOM 2668 CD GLN B 72 -3.397 -7.603 -8.268 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -3.939 -8.672 -8.544 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -2.177 -7.298 -8.677 1.00 1.66 N ATOM 0 H GLN B 72 -7.070 -7.597 -4.999 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.570 -6.216 -4.640 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.705 -8.134 -6.096 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.019 -7.423 -7.012 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.619 -5.862 -8.071 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.368 -6.003 -6.853 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -1.764 -6.400 -8.425 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -1.649 -7.961 -9.244 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.090 -4.674 -5.991 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.580 -3.345 -6.318 1.00 0.47 C ATOM 2681 C GLU B 73 -7.545 -2.464 -5.070 1.00 0.36 C ATOM 2682 O GLU B 73 -7.383 -1.248 -5.148 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.977 -3.452 -6.928 1.00 0.56 C ATOM 2684 CG GLU B 73 -8.974 -4.316 -8.186 1.00 0.78 C ATOM 2685 CD GLU B 73 -10.335 -4.488 -8.822 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -11.217 -5.096 -8.185 1.00 1.82 O ATOM 2687 OE2 GLU B 73 -10.516 -4.052 -9.980 1.00 1.99 O ATOM 0 H GLU B 73 -7.808 -5.398 -5.972 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.938 -2.873 -7.062 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.663 -3.877 -6.195 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.346 -2.456 -7.171 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -8.297 -3.872 -8.916 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -8.575 -5.299 -7.937 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.642 -3.091 -3.909 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.445 -2.385 -2.656 1.00 0.34 C ATOM 2696 C PHE B 74 -5.955 -2.147 -2.433 1.00 0.32 C ATOM 2697 O PHE B 74 -5.557 -1.243 -1.698 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.044 -3.175 -1.491 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.045 -2.415 -0.195 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -8.944 -1.383 0.015 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.147 -2.732 0.811 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -8.948 -0.681 1.206 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.146 -2.033 2.002 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.047 -1.007 2.199 1.00 1.90 C ATOM 0 H PHE B 74 -7.855 -4.083 -3.809 1.00 0.37 H new ATOM 0 HA PHE B 74 -7.956 -1.423 -2.707 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.067 -3.456 -1.740 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.482 -4.100 -1.361 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.650 -1.124 -0.760 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.440 -3.535 0.662 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -9.655 0.121 1.359 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.441 -2.289 2.779 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.047 -0.459 3.130 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.137 -2.951 -3.101 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.695 -2.774 -3.079 1.00 0.36 C ATOM 2716 C ILE B 75 -3.359 -1.422 -3.694 1.00 0.34 C ATOM 2717 O ILE B 75 -2.552 -0.657 -3.160 1.00 0.36 O ATOM 2718 CB ILE B 75 -2.965 -3.914 -3.840 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.224 -4.829 -2.878 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.994 -3.378 -4.878 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -3.082 -5.895 -2.244 1.00 0.67 C ATOM 0 H ILE B 75 -5.454 -3.737 -3.668 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.352 -2.810 -2.045 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.737 -4.484 -4.357 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.404 -5.310 -3.412 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -1.778 -4.222 -2.090 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.507 -4.211 -5.385 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.537 -2.777 -5.607 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.241 -2.761 -4.388 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -2.473 -6.501 -1.573 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.887 -5.426 -1.678 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -3.507 -6.530 -3.021 1.00 0.67 H new ATOM 2733 N SER B 76 -4.014 -1.122 -4.813 1.00 0.34 N ATOM 2734 CA SER B 76 -3.833 0.155 -5.462 1.00 0.36 C ATOM 2735 C SER B 76 -4.441 1.278 -4.629 1.00 0.31 C ATOM 2736 O SER B 76 -3.945 2.394 -4.644 1.00 0.33 O ATOM 2737 CB SER B 76 -4.409 0.131 -6.877 1.00 0.45 C ATOM 2738 OG SER B 76 -5.570 -0.676 -6.954 1.00 0.74 O ATOM 0 H SER B 76 -4.670 -1.748 -5.280 1.00 0.34 H new ATOM 0 HA SER B 76 -2.764 0.349 -5.545 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.650 1.147 -7.189 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.657 -0.246 -7.570 1.00 0.45 H new ATOM 0 HG SER B 76 -6.148 -0.491 -6.185 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.495 0.973 -3.877 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.092 1.957 -2.975 1.00 0.26 C ATOM 2746 C LEU B 77 -5.035 2.479 -2.014 1.00 0.23 C ATOM 2747 O LEU B 77 -4.894 3.686 -1.825 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.273 1.332 -2.202 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.974 2.222 -1.154 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.205 2.267 0.162 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.178 3.627 -1.695 1.00 1.14 C ATOM 0 H LEU B 77 -5.951 0.061 -3.873 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.476 2.792 -3.561 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.020 1.010 -2.927 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -6.911 0.436 -1.698 1.00 0.30 H new ATOM 0 HG LEU B 77 -8.948 1.776 -0.951 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.734 2.904 0.871 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.124 1.260 0.571 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.207 2.669 -0.013 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.674 4.239 -0.941 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.211 4.066 -1.941 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.796 3.585 -2.592 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.287 1.563 -1.424 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.256 1.928 -0.471 1.00 0.25 C ATOM 2765 C VAL B 78 -2.145 2.693 -1.167 1.00 0.27 C ATOM 2766 O VAL B 78 -1.530 3.558 -0.579 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.672 0.691 0.227 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.711 1.099 1.331 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.793 -0.177 0.775 1.00 0.31 C ATOM 0 H VAL B 78 -4.375 0.560 -1.589 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.716 2.562 0.287 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.111 0.109 -0.504 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.309 0.207 1.812 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -0.894 1.681 0.905 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.240 1.702 2.069 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.368 -1.051 1.268 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.379 0.396 1.494 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.437 -0.499 -0.043 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.910 2.377 -2.428 1.00 0.31 N ATOM 2780 CA ALA B 79 -0.954 3.114 -3.237 1.00 0.36 C ATOM 2781 C ALA B 79 -1.375 4.579 -3.325 1.00 0.33 C ATOM 2782 O ALA B 79 -0.582 5.495 -3.085 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.877 2.494 -4.623 1.00 0.43 C ATOM 0 H ALA B 79 -2.371 1.610 -2.917 1.00 0.31 H new ATOM 0 HA ALA B 79 0.032 3.064 -2.776 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.160 3.047 -5.230 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.557 1.455 -4.540 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.859 2.535 -5.095 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.643 4.778 -3.659 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.260 6.100 -3.682 1.00 0.32 C ATOM 2791 C ILE B 80 -3.126 6.768 -2.316 1.00 0.28 C ATOM 2792 O ILE B 80 -2.782 7.947 -2.207 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.771 5.997 -4.053 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -4.987 5.891 -5.570 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.559 7.179 -3.502 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.282 4.730 -6.230 1.00 0.40 C ATOM 0 H ILE B 80 -3.277 4.024 -3.923 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.747 6.698 -4.435 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.140 5.080 -3.593 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.056 5.808 -5.766 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.649 6.816 -6.037 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.609 7.077 -3.778 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.470 7.201 -2.416 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.163 8.106 -3.917 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.493 4.737 -7.299 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.207 4.819 -6.071 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.636 3.795 -5.796 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.378 5.986 -1.284 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.462 6.486 0.075 1.00 0.23 C ATOM 2810 C ALA B 81 -2.092 6.798 0.676 1.00 0.23 C ATOM 2811 O ALA B 81 -1.953 7.726 1.465 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.204 5.474 0.919 1.00 0.24 C ATOM 0 H ALA B 81 -3.531 4.981 -1.365 1.00 0.23 H new ATOM 0 HA ALA B 81 -4.004 7.432 0.058 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.275 5.837 1.944 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.206 5.329 0.516 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.667 4.526 0.906 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.090 6.022 0.301 1.00 0.22 N ATOM 2819 CA LEU B 82 0.266 6.228 0.786 1.00 0.23 C ATOM 2820 C LEU B 82 0.826 7.522 0.243 1.00 0.24 C ATOM 2821 O LEU B 82 1.490 8.276 0.956 1.00 0.30 O ATOM 2822 CB LEU B 82 1.166 5.076 0.366 1.00 0.25 C ATOM 2823 CG LEU B 82 0.855 3.736 1.016 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.702 2.657 0.380 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.093 3.801 2.514 1.00 0.32 C ATOM 0 H LEU B 82 -1.190 5.237 -0.343 1.00 0.22 H new ATOM 0 HA LEU B 82 0.232 6.276 1.874 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.099 4.960 -0.716 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.198 5.341 0.595 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.196 3.496 0.858 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.479 1.697 0.846 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.482 2.603 -0.686 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.757 2.892 0.521 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.865 2.833 2.961 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.136 4.053 2.706 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.449 4.564 2.952 1.00 0.32 H new ATOM 2837 N LYS B 83 0.562 7.784 -1.024 1.00 0.26 N ATOM 2838 CA LYS B 83 0.980 9.044 -1.603 1.00 0.33 C ATOM 2839 C LYS B 83 0.086 10.170 -1.132 1.00 0.31 C ATOM 2840 O LYS B 83 0.478 11.322 -1.137 1.00 0.44 O ATOM 2841 CB LYS B 83 1.020 9.002 -3.120 1.00 0.42 C ATOM 2842 CG LYS B 83 2.434 9.036 -3.641 1.00 0.66 C ATOM 2843 CD LYS B 83 2.502 9.480 -5.084 1.00 1.04 C ATOM 2844 CE LYS B 83 3.759 10.291 -5.304 1.00 0.80 C ATOM 2845 NZ LYS B 83 3.987 10.621 -6.739 1.00 1.67 N ATOM 0 H LYS B 83 0.071 7.155 -1.659 1.00 0.26 H new ATOM 0 HA LYS B 83 1.998 9.227 -1.259 1.00 0.33 H new ATOM 0 HB2 LYS B 83 0.524 8.098 -3.472 1.00 0.42 H new ATOM 0 HB3 LYS B 83 0.463 9.848 -3.522 1.00 0.42 H new ATOM 0 HG2 LYS B 83 3.029 9.712 -3.027 1.00 0.66 H new ATOM 0 HG3 LYS B 83 2.878 8.045 -3.547 1.00 0.66 H new ATOM 0 HD2 LYS B 83 2.497 8.612 -5.743 1.00 1.04 H new ATOM 0 HD3 LYS B 83 1.624 10.076 -5.334 1.00 1.04 H new ATOM 0 HE2 LYS B 83 3.696 11.215 -4.729 1.00 0.80 H new ATOM 0 HE3 LYS B 83 4.616 9.736 -4.923 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 4.878 11.148 -6.837 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 4.042 9.742 -7.293 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 3.200 11.203 -7.090 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.121 9.838 -0.732 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.973 10.805 -0.077 1.00 0.35 C ATOM 2861 C ALA B 84 -1.402 11.166 1.292 1.00 0.33 C ATOM 2862 O ALA B 84 -1.685 12.232 1.826 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.375 10.258 0.058 1.00 0.48 C ATOM 0 H ALA B 84 -1.533 8.912 -0.848 1.00 0.31 H new ATOM 0 HA ALA B 84 -2.013 11.710 -0.684 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -4.007 10.995 0.553 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.777 10.040 -0.931 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.353 9.343 0.650 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.597 10.266 1.850 1.00 0.30 N ATOM 2870 CA ALA B 85 0.035 10.500 3.140 1.00 0.38 C ATOM 2871 C ALA B 85 1.304 11.338 2.994 1.00 0.44 C ATOM 2872 O ALA B 85 1.461 12.347 3.672 1.00 0.57 O ATOM 2873 CB ALA B 85 0.340 9.179 3.834 1.00 0.42 C ATOM 0 H ALA B 85 -0.368 9.367 1.426 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.665 11.063 3.757 1.00 0.38 H new ATOM 0 HB1 ALA B 85 0.812 9.374 4.797 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.587 8.627 3.990 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.013 8.589 3.213 1.00 0.42 H new ATOM 2879 N HIS B 86 2.209 10.932 2.106 1.00 0.44 N ATOM 2880 CA HIS B 86 3.467 11.662 1.923 1.00 0.59 C ATOM 2881 C HIS B 86 3.276 12.858 0.995 1.00 0.63 C ATOM 2882 O HIS B 86 3.562 13.998 1.352 1.00 0.72 O ATOM 2883 CB HIS B 86 4.554 10.752 1.351 1.00 0.69 C ATOM 2884 CG HIS B 86 5.914 11.382 1.368 1.00 1.28 C ATOM 2885 ND1 HIS B 86 6.553 11.825 0.232 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.749 11.660 2.398 1.00 2.11 C ATOM 2887 CE1 HIS B 86 7.718 12.349 0.560 1.00 2.66 C ATOM 2888 NE2 HIS B 86 7.863 12.262 1.868 1.00 2.68 N ATOM 0 H HIS B 86 2.100 10.113 1.508 1.00 0.44 H new ATOM 0 HA HIS B 86 3.779 12.016 2.905 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.582 9.825 1.923 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.295 10.486 0.326 1.00 0.69 H new ATOM 0 HD2 HIS B 86 6.571 11.448 3.442 1.00 2.11 H new ATOM 0 HE1 HIS B 86 8.433 12.777 -0.127 1.00 2.66 H new ATOM 0 HE2 HIS B 86 8.671 12.589 2.399 1.00 2.68 H new ATOM 2897 N TYR B 87 2.761 12.571 -0.187 1.00 0.58 N ATOM 2898 CA TYR B 87 2.514 13.561 -1.236 1.00 0.65 C ATOM 2899 C TYR B 87 1.229 14.337 -0.930 1.00 0.62 C ATOM 2900 O TYR B 87 0.559 14.831 -1.838 1.00 0.66 O ATOM 2901 CB TYR B 87 2.438 12.862 -2.602 1.00 0.69 C ATOM 2902 CG TYR B 87 2.518 13.779 -3.807 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.427 14.828 -3.858 1.00 1.63 C ATOM 2904 CD2 TYR B 87 1.692 13.574 -4.905 1.00 1.43 C ATOM 2905 CE1 TYR B 87 3.508 15.648 -4.968 1.00 1.80 C ATOM 2906 CE2 TYR B 87 1.766 14.390 -6.016 1.00 1.54 C ATOM 2907 CZ TYR B 87 2.675 15.425 -6.043 1.00 1.29 C ATOM 2908 OH TYR B 87 2.755 16.239 -7.152 1.00 1.51 O ATOM 0 H TYR B 87 2.495 11.624 -0.457 1.00 0.58 H new ATOM 0 HA TYR B 87 3.337 14.276 -1.267 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.248 12.136 -2.665 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.504 12.303 -2.654 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.081 15.006 -3.017 1.00 1.63 H new ATOM 0 HD2 TYR B 87 0.980 12.762 -4.889 1.00 1.43 H new ATOM 0 HE1 TYR B 87 4.220 16.459 -4.993 1.00 1.80 H new ATOM 0 HE2 TYR B 87 1.114 14.218 -6.860 1.00 1.54 H new ATOM 0 HH TYR B 87 2.101 15.947 -7.820 1.00 1.51 H new ATOM 2918 N HIS B 88 0.856 14.331 0.358 1.00 0.59 N ATOM 2919 CA HIS B 88 -0.380 14.941 0.892 1.00 0.62 C ATOM 2920 C HIS B 88 -0.603 16.412 0.498 1.00 0.70 C ATOM 2921 O HIS B 88 -1.388 17.106 1.141 1.00 0.76 O ATOM 2922 CB HIS B 88 -0.398 14.834 2.429 1.00 0.65 C ATOM 2923 CG HIS B 88 0.723 15.556 3.132 1.00 1.54 C ATOM 2924 ND1 HIS B 88 1.624 14.918 3.955 1.00 2.37 N ATOM 2925 CD2 HIS B 88 1.069 16.866 3.153 1.00 2.40 C ATOM 2926 CE1 HIS B 88 2.471 15.798 4.451 1.00 3.26 C ATOM 2927 NE2 HIS B 88 2.157 16.987 3.979 1.00 3.27 N ATOM 0 H HIS B 88 1.421 13.889 1.083 1.00 0.59 H new ATOM 0 HA HIS B 88 -1.193 14.375 0.437 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -1.347 15.226 2.794 1.00 0.65 H new ATOM 0 HB3 HIS B 88 -0.361 13.780 2.705 1.00 0.65 H new ATOM 0 HD1 HIS B 88 1.634 13.917 4.151 1.00 2.37 H new ATOM 0 HD2 HIS B 88 0.579 17.666 2.618 1.00 2.40 H new ATOM 0 HE1 HIS B 88 3.284 15.581 5.129 1.00 3.26 H new ATOM 2936 N THR B 89 0.061 16.890 -0.534 1.00 0.73 N ATOM 2937 CA THR B 89 -0.179 18.236 -1.013 1.00 0.81 C ATOM 2938 C THR B 89 -1.475 18.210 -1.805 1.00 0.72 C ATOM 2939 O THR B 89 -2.280 19.140 -1.757 1.00 1.05 O ATOM 2940 CB THR B 89 0.991 18.753 -1.889 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.667 20.030 -2.454 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.332 17.769 -3.003 1.00 0.90 C ATOM 0 H THR B 89 0.767 16.370 -1.055 1.00 0.73 H new ATOM 0 HA THR B 89 -0.254 18.921 -0.168 1.00 0.81 H new ATOM 0 HB THR B 89 1.864 18.854 -1.244 1.00 0.97 H new ATOM 0 HG1 THR B 89 1.415 20.344 -3.003 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.156 18.164 -3.597 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.623 16.813 -2.568 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.460 17.626 -3.642 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.643 17.084 -2.494 1.00 0.66 N ATOM 2951 CA HIS B 90 -2.822 16.720 -3.257 1.00 0.65 C ATOM 2952 C HIS B 90 -2.381 15.676 -4.269 1.00 0.94 C ATOM 2953 O HIS B 90 -1.986 15.998 -5.384 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.540 17.914 -3.946 1.00 0.91 C ATOM 2955 CG HIS B 90 -2.779 18.622 -5.033 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -3.076 18.471 -6.371 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -1.752 19.502 -4.977 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -2.269 19.225 -7.087 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -1.453 19.863 -6.267 1.00 3.47 N ATOM 0 H HIS B 90 -0.919 16.367 -2.534 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.575 16.330 -2.572 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -4.477 17.550 -4.368 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -3.798 18.645 -3.179 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -1.259 19.855 -4.083 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -2.273 19.308 -8.164 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -0.721 20.516 -6.547 1.00 3.47 H new