USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1052 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 CYS SG : rot -86:sc= 1.54 USER MOD Set 1.2: A 137 TYR OH : rot -75:sc= 0.145 USER MOD Set 2.1: A 10 MET CE :methyl 168:sc= -0.25 (180deg=-0.593) USER MOD Set 2.2: A 73 THR OG1 : rot -107:sc= 0.00413 USER MOD Set 3.1: A 61 GLN : amide:sc= -0.155 K(o=0.7,f=-1!) USER MOD Set 3.2: A 104 ASN : amide:sc= 0.857 K(o=0.7,f=-0.56) USER MOD Set 4.1: A 6 LYS NZ :NH3+ 164:sc= 0.619 (180deg=-0.274) USER MOD Set 4.2: A 50 TYR OH : rot 121:sc= 1.24 USER MOD Set 4.3: A 57 THR OG1 : rot 180:sc= 0.639 USER MOD Set 5.1: A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 63 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.065) USER MOD Set 6.1: A 20 CYS SG : rot -150:sc= 0.723 USER MOD Set 6.2: A 69 TYR OH : rot 163:sc= 0.8 USER MOD Set 7.1: A 5 GLN : amide:sc= -1.87 K(o=-2.9,f=-9.9!) USER MOD Set 7.2: A 35 THR OG1 : rot -160:sc= -1.02 USER MOD Single : A 11 GLN : amide:sc= 0.337 K(o=0.34,f=-0.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 173:sc= -1.05 (180deg=-1.09) USER MOD Single : A 16 THR OG1 : rot 41:sc= 0.415 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.00403 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 38 ASN : amide:sc= 1.23 K(o=1.2,f=-0.16) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -77:sc= 1.29 USER MOD Single : A 47 ASN : amide:sc= -0.0086 K(o=-0.0086,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.188 USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 1.46 (180deg=0.337) USER MOD Single : A 70 HIS : no HD1:sc= -0.088 X(o=-0.088,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0263) USER MOD Single : A 83 MET CE :methyl -157:sc= -0.232 (180deg=-0.854) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 1.15 (180deg=0.99) USER MOD Single : A 97 ASN : amide:sc= -0.528 K(o=-0.53,f=-6.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 113 THR OG1 : rot -160:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 120:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -1.56 K(o=-1.6,f=-10!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0062 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 178:sc= -0.323 (180deg=-0.325) USER MOD Single : A 134 LYS NZ :NH3+ -146:sc= 1.25 (180deg=-2.49!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -174:sc= 1.15 (180deg=0.848) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.375 -15.162 4.630 1.00 0.87 N ATOM 66 CA GLN A 5 0.436 -14.373 3.859 1.00 0.74 C ATOM 67 C GLN A 5 0.332 -12.984 4.470 1.00 0.79 C ATOM 68 O GLN A 5 0.579 -12.814 5.663 1.00 1.09 O ATOM 69 CB GLN A 5 -0.926 -15.067 3.924 1.00 0.82 C ATOM 70 CG GLN A 5 -0.949 -16.263 2.970 1.00 0.84 C ATOM 71 CD GLN A 5 -1.176 -15.810 1.536 1.00 1.48 C ATOM 72 OE1 GLN A 5 -2.054 -14.994 1.273 1.00 2.81 O ATOM 73 NE2 GLN A 5 -0.443 -16.348 0.576 1.00 1.64 N ATOM 0 HA GLN A 5 0.765 -14.283 2.824 1.00 0.74 H new ATOM 0 HB2 GLN A 5 -1.126 -15.400 4.943 1.00 0.82 H new ATOM 0 HB3 GLN A 5 -1.715 -14.364 3.658 1.00 0.82 H new ATOM 0 HG2 GLN A 5 -0.007 -16.806 3.039 1.00 0.84 H new ATOM 0 HG3 GLN A 5 -1.738 -16.954 3.266 1.00 0.84 H new ATOM 0 HE21 GLN A 5 0.284 -17.025 0.808 1.00 1.64 H new ATOM 0 HE22 GLN A 5 -0.604 -16.086 -0.396 1.00 1.64 H new ATOM 82 N LYS A 6 -0.067 -12.000 3.665 1.00 0.65 N ATOM 83 CA LYS A 6 -0.328 -10.673 4.186 1.00 0.67 C ATOM 84 C LYS A 6 -1.587 -10.114 3.540 1.00 0.67 C ATOM 85 O LYS A 6 -1.889 -10.423 2.383 1.00 0.87 O ATOM 86 CB LYS A 6 0.914 -9.791 4.006 1.00 0.92 C ATOM 87 CG LYS A 6 1.193 -9.386 2.553 1.00 1.19 C ATOM 88 CD LYS A 6 0.301 -8.217 2.113 1.00 1.44 C ATOM 89 CE LYS A 6 1.109 -7.147 1.387 1.00 1.49 C ATOM 90 NZ LYS A 6 0.272 -5.972 1.077 1.00 2.65 N ATOM 0 H LYS A 6 -0.213 -12.102 2.661 1.00 0.65 H new ATOM 0 HA LYS A 6 -0.521 -10.705 5.258 1.00 0.67 H new ATOM 0 HB2 LYS A 6 0.795 -8.889 4.606 1.00 0.92 H new ATOM 0 HB3 LYS A 6 1.782 -10.322 4.396 1.00 0.92 H new ATOM 0 HG2 LYS A 6 2.241 -9.105 2.447 1.00 1.19 H new ATOM 0 HG3 LYS A 6 1.024 -10.240 1.897 1.00 1.19 H new ATOM 0 HD2 LYS A 6 -0.489 -8.586 1.459 1.00 1.44 H new ATOM 0 HD3 LYS A 6 -0.185 -7.780 2.985 1.00 1.44 H new ATOM 0 HE2 LYS A 6 1.954 -6.843 2.004 1.00 1.49 H new ATOM 0 HE3 LYS A 6 1.519 -7.559 0.465 1.00 1.49 H new ATOM 0 HZ1 LYS A 6 0.882 -5.165 0.837 1.00 2.65 H new ATOM 0 HZ2 LYS A 6 -0.347 -6.190 0.270 1.00 2.65 H new ATOM 0 HZ3 LYS A 6 -0.310 -5.732 1.905 1.00 2.65 H new ATOM 104 N GLU A 7 -2.294 -9.284 4.300 1.00 0.62 N ATOM 105 CA GLU A 7 -3.466 -8.554 3.879 1.00 0.60 C ATOM 106 C GLU A 7 -3.073 -7.147 3.433 1.00 0.64 C ATOM 107 O GLU A 7 -2.043 -6.598 3.828 1.00 1.02 O ATOM 108 CB GLU A 7 -4.526 -8.536 4.997 1.00 0.72 C ATOM 109 CG GLU A 7 -4.041 -7.985 6.349 1.00 1.89 C ATOM 110 CD GLU A 7 -3.264 -9.015 7.160 1.00 1.74 C ATOM 111 OE1 GLU A 7 -3.921 -9.747 7.931 1.00 2.25 O ATOM 112 OE2 GLU A 7 -2.033 -9.079 6.952 1.00 2.77 O ATOM 0 H GLU A 7 -2.046 -9.099 5.272 1.00 0.62 H new ATOM 0 HA GLU A 7 -3.916 -9.058 3.023 1.00 0.60 H new ATOM 0 HB2 GLU A 7 -5.374 -7.939 4.662 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -4.891 -9.552 5.146 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -3.410 -7.114 6.176 1.00 1.89 H new ATOM 0 HG3 GLU A 7 -4.900 -7.646 6.928 1.00 1.89 H new ATOM 119 N ILE A 8 -3.895 -6.558 2.575 1.00 0.49 N ATOM 120 CA ILE A 8 -3.892 -5.132 2.316 1.00 0.54 C ATOM 121 C ILE A 8 -5.343 -4.692 2.199 1.00 0.51 C ATOM 122 O ILE A 8 -6.078 -5.245 1.381 1.00 0.49 O ATOM 123 CB ILE A 8 -3.036 -4.823 1.080 1.00 0.62 C ATOM 124 CG1 ILE A 8 -3.188 -3.398 0.537 1.00 0.97 C ATOM 125 CG2 ILE A 8 -3.176 -5.857 -0.037 1.00 0.74 C ATOM 126 CD1 ILE A 8 -4.246 -3.224 -0.563 1.00 3.04 C ATOM 0 H ILE A 8 -4.592 -7.069 2.033 1.00 0.49 H new ATOM 0 HA ILE A 8 -3.433 -4.564 3.126 1.00 0.54 H new ATOM 0 HB ILE A 8 -2.017 -4.894 1.461 1.00 0.62 H new ATOM 0 HG12 ILE A 8 -3.437 -2.736 1.366 1.00 0.97 H new ATOM 0 HG13 ILE A 8 -2.224 -3.071 0.146 1.00 0.97 H new ATOM 0 HG21 ILE A 8 -2.543 -5.573 -0.877 1.00 0.74 H new ATOM 0 HG22 ILE A 8 -2.871 -6.836 0.333 1.00 0.74 H new ATOM 0 HG23 ILE A 8 -4.215 -5.901 -0.364 1.00 0.74 H new ATOM 0 HD11 ILE A 8 -4.275 -2.181 -0.878 1.00 3.04 H new ATOM 0 HD12 ILE A 8 -3.992 -3.854 -1.415 1.00 3.04 H new ATOM 0 HD13 ILE A 8 -5.223 -3.513 -0.177 1.00 3.04 H new ATOM 138 N ALA A 9 -5.741 -3.727 3.034 1.00 0.56 N ATOM 139 CA ALA A 9 -7.038 -3.085 2.989 1.00 0.53 C ATOM 140 C ALA A 9 -6.846 -1.702 2.376 1.00 0.50 C ATOM 141 O ALA A 9 -6.032 -0.925 2.873 1.00 0.58 O ATOM 142 CB ALA A 9 -7.596 -2.976 4.411 1.00 0.57 C ATOM 0 H ALA A 9 -5.144 -3.367 3.779 1.00 0.56 H new ATOM 0 HA ALA A 9 -7.744 -3.660 2.390 1.00 0.53 H new ATOM 0 HB1 ALA A 9 -8.573 -2.493 4.383 1.00 0.57 H new ATOM 0 HB2 ALA A 9 -7.696 -3.973 4.840 1.00 0.57 H new ATOM 0 HB3 ALA A 9 -6.916 -2.384 5.024 1.00 0.57 H new ATOM 148 N MET A 10 -7.560 -1.395 1.294 1.00 0.47 N ATOM 149 CA MET A 10 -7.570 -0.055 0.716 1.00 0.56 C ATOM 150 C MET A 10 -8.944 0.252 0.122 1.00 0.50 C ATOM 151 O MET A 10 -9.764 -0.646 -0.025 1.00 0.46 O ATOM 152 CB MET A 10 -6.462 0.102 -0.343 1.00 0.65 C ATOM 153 CG MET A 10 -5.078 0.411 0.257 1.00 0.91 C ATOM 154 SD MET A 10 -3.956 1.356 -0.814 1.00 1.90 S ATOM 155 CE MET A 10 -3.931 0.363 -2.322 1.00 1.64 C ATOM 0 H MET A 10 -8.145 -2.066 0.796 1.00 0.47 H new ATOM 0 HA MET A 10 -7.368 0.664 1.510 1.00 0.56 H new ATOM 0 HB2 MET A 10 -6.398 -0.815 -0.929 1.00 0.65 H new ATOM 0 HB3 MET A 10 -6.738 0.902 -1.030 1.00 0.65 H new ATOM 0 HG2 MET A 10 -5.219 0.965 1.185 1.00 0.91 H new ATOM 0 HG3 MET A 10 -4.596 -0.531 0.518 1.00 0.91 H new ATOM 0 HE1 MET A 10 -3.459 0.931 -3.124 1.00 1.64 H new ATOM 0 HE2 MET A 10 -3.367 -0.553 -2.145 1.00 1.64 H new ATOM 0 HE3 MET A 10 -4.952 0.110 -2.608 1.00 1.64 H new ATOM 165 N GLN A 11 -9.188 1.513 -0.247 1.00 0.55 N ATOM 166 CA GLN A 11 -10.374 1.913 -0.989 1.00 0.46 C ATOM 167 C GLN A 11 -10.093 1.832 -2.490 1.00 0.46 C ATOM 168 O GLN A 11 -8.996 2.160 -2.949 1.00 0.61 O ATOM 169 CB GLN A 11 -10.833 3.309 -0.547 1.00 0.51 C ATOM 170 CG GLN A 11 -11.764 3.192 0.662 1.00 1.04 C ATOM 171 CD GLN A 11 -12.076 4.542 1.293 1.00 1.45 C ATOM 172 OE1 GLN A 11 -12.529 5.470 0.628 1.00 1.81 O ATOM 173 NE2 GLN A 11 -11.828 4.680 2.587 1.00 2.15 N ATOM 0 H GLN A 11 -8.559 2.287 -0.034 1.00 0.55 H new ATOM 0 HA GLN A 11 -11.196 1.230 -0.773 1.00 0.46 H new ATOM 0 HB2 GLN A 11 -9.968 3.922 -0.293 1.00 0.51 H new ATOM 0 HB3 GLN A 11 -11.349 3.809 -1.367 1.00 0.51 H new ATOM 0 HG2 GLN A 11 -12.695 2.715 0.355 1.00 1.04 H new ATOM 0 HG3 GLN A 11 -11.305 2.544 1.408 1.00 1.04 H new ATOM 0 HE21 GLN A 11 -11.452 3.896 3.121 1.00 2.15 H new ATOM 0 HE22 GLN A 11 -12.013 5.570 3.050 1.00 2.15 H new ATOM 182 N VAL A 12 -11.087 1.374 -3.251 1.00 0.42 N ATOM 183 CA VAL A 12 -11.043 1.203 -4.692 1.00 0.46 C ATOM 184 C VAL A 12 -12.139 2.079 -5.292 1.00 0.30 C ATOM 185 O VAL A 12 -13.155 2.298 -4.643 1.00 0.45 O ATOM 186 CB VAL A 12 -11.218 -0.289 -5.027 1.00 0.69 C ATOM 187 CG1 VAL A 12 -12.437 -0.900 -4.327 1.00 0.81 C ATOM 188 CG2 VAL A 12 -11.345 -0.534 -6.532 1.00 0.87 C ATOM 0 H VAL A 12 -11.986 1.101 -2.854 1.00 0.42 H new ATOM 0 HA VAL A 12 -10.087 1.511 -5.115 1.00 0.46 H new ATOM 0 HB VAL A 12 -10.313 -0.775 -4.661 1.00 0.69 H new ATOM 0 HG11 VAL A 12 -12.519 -1.954 -4.594 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -12.321 -0.807 -3.247 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -13.339 -0.374 -4.642 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -11.467 -1.601 -6.718 1.00 0.87 H new ATOM 0 HG22 VAL A 12 -12.213 0.002 -6.916 1.00 0.87 H new ATOM 0 HG23 VAL A 12 -10.446 -0.178 -7.036 1.00 0.87 H new ATOM 198 N SER A 13 -11.935 2.578 -6.511 1.00 0.41 N ATOM 199 CA SER A 13 -12.877 3.447 -7.199 1.00 0.52 C ATOM 200 C SER A 13 -13.493 2.737 -8.399 1.00 0.48 C ATOM 201 O SER A 13 -13.027 1.680 -8.816 1.00 0.56 O ATOM 202 CB SER A 13 -12.145 4.672 -7.729 1.00 0.86 C ATOM 203 OG SER A 13 -11.286 5.228 -6.751 1.00 1.04 O ATOM 0 H SER A 13 -11.094 2.383 -7.054 1.00 0.41 H new ATOM 0 HA SER A 13 -13.655 3.725 -6.488 1.00 0.52 H new ATOM 0 HB2 SER A 13 -11.565 4.397 -8.610 1.00 0.86 H new ATOM 0 HB3 SER A 13 -12.870 5.421 -8.046 1.00 0.86 H new ATOM 0 HG SER A 13 -10.830 6.011 -7.123 1.00 1.04 H new ATOM 209 N GLY A 14 -14.514 3.358 -8.997 1.00 0.65 N ATOM 210 CA GLY A 14 -15.134 2.879 -10.227 1.00 0.80 C ATOM 211 C GLY A 14 -16.081 1.703 -9.980 1.00 0.81 C ATOM 212 O GLY A 14 -16.789 1.283 -10.896 1.00 0.96 O ATOM 0 H GLY A 14 -14.934 4.214 -8.635 1.00 0.65 H new ATOM 0 HA2 GLY A 14 -15.685 3.695 -10.695 1.00 0.80 H new ATOM 0 HA3 GLY A 14 -14.357 2.576 -10.929 1.00 0.80 H new ATOM 216 N MET A 15 -16.102 1.179 -8.749 1.00 0.79 N ATOM 217 CA MET A 15 -16.972 0.099 -8.335 1.00 0.86 C ATOM 218 C MET A 15 -18.426 0.515 -8.556 1.00 0.95 C ATOM 219 O MET A 15 -19.042 1.179 -7.727 1.00 1.07 O ATOM 220 CB MET A 15 -16.688 -0.279 -6.867 1.00 0.88 C ATOM 221 CG MET A 15 -16.387 -1.772 -6.734 1.00 1.25 C ATOM 222 SD MET A 15 -16.931 -2.531 -5.186 1.00 1.98 S ATOM 223 CE MET A 15 -15.931 -1.619 -4.000 1.00 2.38 C ATOM 0 H MET A 15 -15.493 1.511 -8.001 1.00 0.79 H new ATOM 0 HA MET A 15 -16.781 -0.791 -8.935 1.00 0.86 H new ATOM 0 HB2 MET A 15 -15.843 0.300 -6.496 1.00 0.88 H new ATOM 0 HB3 MET A 15 -17.548 -0.021 -6.249 1.00 0.88 H new ATOM 0 HG2 MET A 15 -16.860 -2.297 -7.564 1.00 1.25 H new ATOM 0 HG3 MET A 15 -15.312 -1.920 -6.835 1.00 1.25 H new ATOM 0 HE1 MET A 15 -16.238 -1.881 -2.988 1.00 2.38 H new ATOM 0 HE2 MET A 15 -14.880 -1.874 -4.138 1.00 2.38 H new ATOM 0 HE3 MET A 15 -16.068 -0.549 -4.155 1.00 2.38 H new ATOM 233 N THR A 16 -18.975 0.130 -9.702 1.00 1.09 N ATOM 234 CA THR A 16 -20.308 0.547 -10.100 1.00 1.39 C ATOM 235 C THR A 16 -21.344 -0.345 -9.415 1.00 1.51 C ATOM 236 O THR A 16 -22.489 0.061 -9.237 1.00 1.66 O ATOM 237 CB THR A 16 -20.389 0.533 -11.633 1.00 1.72 C ATOM 238 OG1 THR A 16 -19.351 1.342 -12.163 1.00 1.76 O ATOM 239 CG2 THR A 16 -21.725 1.073 -12.153 1.00 1.96 C ATOM 0 H THR A 16 -18.509 -0.477 -10.376 1.00 1.09 H new ATOM 0 HA THR A 16 -20.525 1.566 -9.780 1.00 1.39 H new ATOM 0 HB THR A 16 -20.291 -0.505 -11.951 1.00 1.72 H new ATOM 0 HG1 THR A 16 -18.529 1.197 -11.650 1.00 1.76 H new ATOM 0 HG21 THR A 16 -21.731 1.042 -13.243 1.00 1.96 H new ATOM 0 HG22 THR A 16 -22.540 0.460 -11.768 1.00 1.96 H new ATOM 0 HG23 THR A 16 -21.856 2.102 -11.819 1.00 1.96 H new ATOM 247 N CYS A 17 -20.944 -1.564 -9.026 1.00 1.59 N ATOM 248 CA CYS A 17 -21.813 -2.527 -8.359 1.00 1.93 C ATOM 249 C CYS A 17 -20.979 -3.735 -7.943 1.00 1.64 C ATOM 250 O CYS A 17 -19.853 -3.887 -8.419 1.00 3.26 O ATOM 251 CB CYS A 17 -22.937 -2.986 -9.304 1.00 3.63 C ATOM 252 SG CYS A 17 -24.411 -3.447 -8.359 1.00 4.25 S ATOM 0 H CYS A 17 -19.994 -1.907 -9.171 1.00 1.59 H new ATOM 0 HA CYS A 17 -22.264 -2.057 -7.485 1.00 1.93 H new ATOM 0 HB2 CYS A 17 -23.181 -2.186 -10.003 1.00 3.63 H new ATOM 0 HB3 CYS A 17 -22.598 -3.835 -9.897 1.00 3.63 H new ATOM 0 HG CYS A 17 -25.348 -3.829 -9.175 1.00 4.25 H new ATOM 258 N ALA A 18 -21.550 -4.619 -7.116 1.00 1.18 N ATOM 259 CA ALA A 18 -20.963 -5.899 -6.725 1.00 2.02 C ATOM 260 C ALA A 18 -20.277 -6.617 -7.888 1.00 1.79 C ATOM 261 O ALA A 18 -19.182 -7.136 -7.718 1.00 2.74 O ATOM 262 CB ALA A 18 -22.040 -6.797 -6.108 1.00 3.08 C ATOM 0 H ALA A 18 -22.462 -4.455 -6.689 1.00 1.18 H new ATOM 0 HA ALA A 18 -20.189 -5.687 -5.987 1.00 2.02 H new ATOM 0 HB1 ALA A 18 -21.597 -7.750 -5.818 1.00 3.08 H new ATOM 0 HB2 ALA A 18 -22.460 -6.310 -5.228 1.00 3.08 H new ATOM 0 HB3 ALA A 18 -22.830 -6.971 -6.838 1.00 3.08 H new ATOM 268 N ALA A 19 -20.900 -6.638 -9.070 1.00 1.03 N ATOM 269 CA ALA A 19 -20.334 -7.259 -10.263 1.00 0.86 C ATOM 270 C ALA A 19 -18.902 -6.789 -10.552 1.00 0.67 C ATOM 271 O ALA A 19 -18.048 -7.589 -10.928 1.00 0.65 O ATOM 272 CB ALA A 19 -21.243 -6.970 -11.460 1.00 1.19 C ATOM 0 H ALA A 19 -21.818 -6.220 -9.223 1.00 1.03 H new ATOM 0 HA ALA A 19 -20.277 -8.333 -10.085 1.00 0.86 H new ATOM 0 HB1 ALA A 19 -20.825 -7.432 -12.354 1.00 1.19 H new ATOM 0 HB2 ALA A 19 -22.235 -7.379 -11.270 1.00 1.19 H new ATOM 0 HB3 ALA A 19 -21.317 -5.893 -11.609 1.00 1.19 H new ATOM 278 N CYS A 20 -18.638 -5.489 -10.387 1.00 0.63 N ATOM 279 CA CYS A 20 -17.329 -4.906 -10.671 1.00 0.63 C ATOM 280 C CYS A 20 -16.318 -5.503 -9.702 1.00 0.57 C ATOM 281 O CYS A 20 -15.305 -6.082 -10.093 1.00 0.57 O ATOM 282 CB CYS A 20 -17.375 -3.383 -10.501 1.00 0.75 C ATOM 283 SG CYS A 20 -18.429 -2.630 -11.758 1.00 0.71 S ATOM 0 H CYS A 20 -19.327 -4.815 -10.053 1.00 0.63 H new ATOM 0 HA CYS A 20 -17.043 -5.127 -11.699 1.00 0.63 H new ATOM 0 HB2 CYS A 20 -17.751 -3.134 -9.508 1.00 0.75 H new ATOM 0 HB3 CYS A 20 -16.367 -2.974 -10.572 1.00 0.75 H new ATOM 0 HG CYS A 20 -17.999 -1.433 -12.025 1.00 0.71 H new ATOM 289 N ALA A 21 -16.647 -5.386 -8.417 1.00 0.56 N ATOM 290 CA ALA A 21 -15.915 -6.009 -7.326 1.00 0.58 C ATOM 291 C ALA A 21 -15.608 -7.477 -7.639 1.00 0.57 C ATOM 292 O ALA A 21 -14.449 -7.876 -7.719 1.00 0.57 O ATOM 293 CB ALA A 21 -16.732 -5.856 -6.036 1.00 0.73 C ATOM 0 H ALA A 21 -17.450 -4.841 -8.102 1.00 0.56 H new ATOM 0 HA ALA A 21 -14.953 -5.514 -7.195 1.00 0.58 H new ATOM 0 HB1 ALA A 21 -16.195 -6.319 -5.208 1.00 0.73 H new ATOM 0 HB2 ALA A 21 -16.883 -4.797 -5.824 1.00 0.73 H new ATOM 0 HB3 ALA A 21 -17.700 -6.343 -6.158 1.00 0.73 H new ATOM 299 N ALA A 22 -16.657 -8.264 -7.874 1.00 0.61 N ATOM 300 CA ALA A 22 -16.586 -9.686 -8.163 1.00 0.64 C ATOM 301 C ALA A 22 -15.695 -9.965 -9.370 1.00 0.58 C ATOM 302 O ALA A 22 -14.980 -10.964 -9.393 1.00 0.61 O ATOM 303 CB ALA A 22 -17.998 -10.234 -8.382 1.00 0.77 C ATOM 0 H ALA A 22 -17.614 -7.910 -7.867 1.00 0.61 H new ATOM 0 HA ALA A 22 -16.136 -10.194 -7.310 1.00 0.64 H new ATOM 0 HB1 ALA A 22 -17.945 -11.301 -8.599 1.00 0.77 H new ATOM 0 HB2 ALA A 22 -18.593 -10.076 -7.483 1.00 0.77 H new ATOM 0 HB3 ALA A 22 -18.463 -9.716 -9.221 1.00 0.77 H new ATOM 309 N ARG A 23 -15.720 -9.093 -10.381 1.00 0.56 N ATOM 310 CA ARG A 23 -14.836 -9.214 -11.520 1.00 0.60 C ATOM 311 C ARG A 23 -13.387 -9.103 -11.068 1.00 0.56 C ATOM 312 O ARG A 23 -12.562 -9.920 -11.475 1.00 0.60 O ATOM 313 CB ARG A 23 -15.168 -8.156 -12.583 1.00 0.64 C ATOM 314 CG ARG A 23 -15.962 -8.758 -13.741 1.00 0.77 C ATOM 315 CD ARG A 23 -15.135 -9.850 -14.438 1.00 0.84 C ATOM 316 NE ARG A 23 -15.289 -9.776 -15.901 1.00 1.00 N ATOM 317 CZ ARG A 23 -14.545 -10.448 -16.793 1.00 1.43 C ATOM 318 NH1 ARG A 23 -13.627 -11.322 -16.366 1.00 2.26 N ATOM 319 NH2 ARG A 23 -14.722 -10.242 -18.104 1.00 1.48 N ATOM 0 H ARG A 23 -16.351 -8.293 -10.424 1.00 0.56 H new ATOM 0 HA ARG A 23 -14.981 -10.194 -11.975 1.00 0.60 H new ATOM 0 HB2 ARG A 23 -15.741 -7.348 -12.128 1.00 0.64 H new ATOM 0 HB3 ARG A 23 -14.245 -7.717 -12.962 1.00 0.64 H new ATOM 0 HG2 ARG A 23 -16.897 -9.179 -13.371 1.00 0.77 H new ATOM 0 HG3 ARG A 23 -16.225 -7.978 -14.456 1.00 0.77 H new ATOM 0 HD2 ARG A 23 -14.083 -9.739 -14.173 1.00 0.84 H new ATOM 0 HD3 ARG A 23 -15.451 -10.832 -14.085 1.00 0.84 H new ATOM 0 HE ARG A 23 -16.020 -9.165 -16.265 1.00 1.00 H new ATOM 0 HH11 ARG A 23 -13.495 -11.475 -15.366 1.00 2.26 H new ATOM 0 HH12 ARG A 23 -13.059 -11.835 -17.040 1.00 2.26 H new ATOM 0 HH21 ARG A 23 -15.423 -9.574 -18.425 1.00 1.48 H new ATOM 0 HH22 ARG A 23 -14.156 -10.753 -18.782 1.00 1.48 H new ATOM 333 N ILE A 24 -13.073 -8.108 -10.236 1.00 0.53 N ATOM 334 CA ILE A 24 -11.727 -7.955 -9.729 1.00 0.57 C ATOM 335 C ILE A 24 -11.372 -9.185 -8.896 1.00 0.52 C ATOM 336 O ILE A 24 -10.329 -9.779 -9.137 1.00 0.54 O ATOM 337 CB ILE A 24 -11.590 -6.647 -8.939 1.00 0.63 C ATOM 338 CG1 ILE A 24 -11.916 -5.421 -9.816 1.00 0.67 C ATOM 339 CG2 ILE A 24 -10.177 -6.530 -8.390 1.00 0.78 C ATOM 340 CD1 ILE A 24 -12.223 -4.170 -8.989 1.00 0.59 C ATOM 0 H ILE A 24 -13.735 -7.405 -9.906 1.00 0.53 H new ATOM 0 HA ILE A 24 -11.019 -7.887 -10.555 1.00 0.57 H new ATOM 0 HB ILE A 24 -12.305 -6.669 -8.117 1.00 0.63 H new ATOM 0 HG12 ILE A 24 -11.073 -5.217 -10.477 1.00 0.67 H new ATOM 0 HG13 ILE A 24 -12.771 -5.651 -10.452 1.00 0.67 H new ATOM 0 HG21 ILE A 24 -10.080 -5.601 -7.829 1.00 0.78 H new ATOM 0 HG22 ILE A 24 -9.971 -7.374 -7.732 1.00 0.78 H new ATOM 0 HG23 ILE A 24 -9.465 -6.531 -9.215 1.00 0.78 H new ATOM 0 HD11 ILE A 24 -12.445 -3.338 -9.657 1.00 0.59 H new ATOM 0 HD12 ILE A 24 -13.083 -4.360 -8.347 1.00 0.59 H new ATOM 0 HD13 ILE A 24 -11.359 -3.920 -8.373 1.00 0.59 H new ATOM 352 N GLU A 25 -12.225 -9.589 -7.950 1.00 0.51 N ATOM 353 CA GLU A 25 -11.980 -10.741 -7.090 1.00 0.54 C ATOM 354 C GLU A 25 -11.703 -11.991 -7.925 1.00 0.56 C ATOM 355 O GLU A 25 -10.717 -12.690 -7.699 1.00 0.58 O ATOM 356 CB GLU A 25 -13.169 -10.968 -6.151 1.00 0.69 C ATOM 357 CG GLU A 25 -13.308 -9.852 -5.106 1.00 0.71 C ATOM 358 CD GLU A 25 -14.542 -10.050 -4.237 1.00 2.20 C ATOM 359 OE1 GLU A 25 -15.585 -10.433 -4.811 1.00 3.54 O ATOM 360 OE2 GLU A 25 -14.423 -9.802 -3.021 1.00 3.20 O ATOM 0 H GLU A 25 -13.111 -9.119 -7.761 1.00 0.51 H new ATOM 0 HA GLU A 25 -11.097 -10.537 -6.484 1.00 0.54 H new ATOM 0 HB2 GLU A 25 -14.086 -11.030 -6.738 1.00 0.69 H new ATOM 0 HB3 GLU A 25 -13.051 -11.925 -5.643 1.00 0.69 H new ATOM 0 HG2 GLU A 25 -12.419 -9.829 -4.476 1.00 0.71 H new ATOM 0 HG3 GLU A 25 -13.367 -8.887 -5.609 1.00 0.71 H new ATOM 367 N LYS A 26 -12.556 -12.282 -8.910 1.00 0.61 N ATOM 368 CA LYS A 26 -12.398 -13.444 -9.751 1.00 0.68 C ATOM 369 C LYS A 26 -11.126 -13.319 -10.599 1.00 0.69 C ATOM 370 O LYS A 26 -10.372 -14.282 -10.735 1.00 0.78 O ATOM 371 CB LYS A 26 -13.689 -13.672 -10.547 1.00 0.77 C ATOM 372 CG LYS A 26 -13.553 -14.968 -11.346 1.00 0.94 C ATOM 373 CD LYS A 26 -14.865 -15.747 -11.521 1.00 1.35 C ATOM 374 CE LYS A 26 -15.856 -15.062 -12.471 1.00 1.25 C ATOM 375 NZ LYS A 26 -17.107 -15.841 -12.610 1.00 1.99 N ATOM 0 H LYS A 26 -13.371 -11.712 -9.137 1.00 0.61 H new ATOM 0 HA LYS A 26 -12.249 -14.344 -9.155 1.00 0.68 H new ATOM 0 HB2 LYS A 26 -14.543 -13.733 -9.872 1.00 0.77 H new ATOM 0 HB3 LYS A 26 -13.872 -12.833 -11.218 1.00 0.77 H new ATOM 0 HG2 LYS A 26 -13.151 -14.732 -12.331 1.00 0.94 H new ATOM 0 HG3 LYS A 26 -12.826 -15.611 -10.850 1.00 0.94 H new ATOM 0 HD2 LYS A 26 -14.640 -16.744 -11.900 1.00 1.35 H new ATOM 0 HD3 LYS A 26 -15.336 -15.875 -10.546 1.00 1.35 H new ATOM 0 HE2 LYS A 26 -16.088 -14.064 -12.098 1.00 1.25 H new ATOM 0 HE3 LYS A 26 -15.394 -14.937 -13.450 1.00 1.25 H new ATOM 0 HZ1 LYS A 26 -17.753 -15.348 -13.259 1.00 1.99 H new ATOM 0 HZ2 LYS A 26 -16.888 -16.784 -12.989 1.00 1.99 H new ATOM 0 HZ3 LYS A 26 -17.560 -15.939 -11.679 1.00 1.99 H new ATOM 389 N GLY A 27 -10.861 -12.125 -11.134 1.00 0.63 N ATOM 390 CA GLY A 27 -9.609 -11.820 -11.812 1.00 0.64 C ATOM 391 C GLY A 27 -8.405 -12.039 -10.893 1.00 0.61 C ATOM 392 O GLY A 27 -7.347 -12.472 -11.342 1.00 0.63 O ATOM 0 H GLY A 27 -11.515 -11.342 -11.106 1.00 0.63 H new ATOM 0 HA2 GLY A 27 -9.511 -12.448 -12.697 1.00 0.64 H new ATOM 0 HA3 GLY A 27 -9.623 -10.786 -12.155 1.00 0.64 H new ATOM 396 N LEU A 28 -8.557 -11.731 -9.606 1.00 0.66 N ATOM 397 CA LEU A 28 -7.527 -11.875 -8.594 1.00 0.70 C ATOM 398 C LEU A 28 -7.263 -13.350 -8.304 1.00 0.69 C ATOM 399 O LEU A 28 -6.114 -13.773 -8.328 1.00 0.66 O ATOM 400 CB LEU A 28 -7.911 -11.107 -7.325 1.00 0.92 C ATOM 401 CG LEU A 28 -7.089 -9.822 -7.167 1.00 1.17 C ATOM 402 CD1 LEU A 28 -7.758 -8.968 -6.102 1.00 2.69 C ATOM 403 CD2 LEU A 28 -5.674 -10.196 -6.716 1.00 3.37 C ATOM 0 H LEU A 28 -9.432 -11.363 -9.233 1.00 0.66 H new ATOM 0 HA LEU A 28 -6.600 -11.444 -8.972 1.00 0.70 H new ATOM 0 HB2 LEU A 28 -8.972 -10.858 -7.357 1.00 0.92 H new ATOM 0 HB3 LEU A 28 -7.760 -11.745 -6.454 1.00 0.92 H new ATOM 0 HG LEU A 28 -7.034 -9.273 -8.107 1.00 1.17 H new ATOM 0 HD11 LEU A 28 -7.194 -8.045 -5.968 1.00 2.69 H new ATOM 0 HD12 LEU A 28 -8.775 -8.729 -6.413 1.00 2.69 H new ATOM 0 HD13 LEU A 28 -7.786 -9.516 -5.160 1.00 2.69 H new ATOM 0 HD21 LEU A 28 -5.078 -9.291 -6.600 1.00 3.37 H new ATOM 0 HD22 LEU A 28 -5.723 -10.723 -5.763 1.00 3.37 H new ATOM 0 HD23 LEU A 28 -5.212 -10.841 -7.464 1.00 3.37 H new ATOM 415 N LYS A 29 -8.321 -14.138 -8.076 1.00 0.75 N ATOM 416 CA LYS A 29 -8.243 -15.581 -7.837 1.00 0.81 C ATOM 417 C LYS A 29 -7.466 -16.313 -8.947 1.00 0.80 C ATOM 418 O LYS A 29 -6.999 -17.426 -8.739 1.00 0.85 O ATOM 419 CB LYS A 29 -9.647 -16.190 -7.628 1.00 0.90 C ATOM 420 CG LYS A 29 -9.978 -16.504 -6.154 1.00 0.89 C ATOM 421 CD LYS A 29 -10.245 -15.245 -5.304 1.00 0.97 C ATOM 422 CE LYS A 29 -11.660 -15.208 -4.695 1.00 1.08 C ATOM 423 NZ LYS A 29 -11.774 -15.983 -3.440 1.00 1.74 N ATOM 0 H LYS A 29 -9.276 -13.780 -8.052 1.00 0.75 H new ATOM 0 HA LYS A 29 -7.679 -15.723 -6.915 1.00 0.81 H new ATOM 0 HB2 LYS A 29 -10.394 -15.499 -8.019 1.00 0.90 H new ATOM 0 HB3 LYS A 29 -9.725 -17.107 -8.211 1.00 0.90 H new ATOM 0 HG2 LYS A 29 -10.854 -17.151 -6.116 1.00 0.89 H new ATOM 0 HG3 LYS A 29 -9.151 -17.061 -5.714 1.00 0.89 H new ATOM 0 HD2 LYS A 29 -9.510 -15.195 -4.501 1.00 0.97 H new ATOM 0 HD3 LYS A 29 -10.101 -14.360 -5.923 1.00 0.97 H new ATOM 0 HE2 LYS A 29 -11.938 -14.172 -4.501 1.00 1.08 H new ATOM 0 HE3 LYS A 29 -12.372 -15.599 -5.422 1.00 1.08 H new ATOM 0 HZ1 LYS A 29 -12.748 -15.919 -3.080 1.00 1.74 H new ATOM 0 HZ2 LYS A 29 -11.537 -16.979 -3.624 1.00 1.74 H new ATOM 0 HZ3 LYS A 29 -11.117 -15.596 -2.732 1.00 1.74 H new ATOM 437 N ARG A 30 -7.324 -15.694 -10.124 1.00 0.76 N ATOM 438 CA ARG A 30 -6.497 -16.189 -11.216 1.00 0.76 C ATOM 439 C ARG A 30 -5.020 -16.356 -10.824 1.00 0.76 C ATOM 440 O ARG A 30 -4.319 -17.166 -11.426 1.00 0.81 O ATOM 441 CB ARG A 30 -6.620 -15.205 -12.389 1.00 0.75 C ATOM 442 CG ARG A 30 -6.294 -15.831 -13.756 1.00 0.93 C ATOM 443 CD ARG A 30 -7.369 -15.448 -14.787 1.00 1.45 C ATOM 444 NE ARG A 30 -6.966 -15.756 -16.172 1.00 2.03 N ATOM 445 CZ ARG A 30 -6.982 -16.968 -16.754 1.00 2.23 C ATOM 446 NH1 ARG A 30 -7.319 -18.047 -16.041 1.00 3.16 N ATOM 447 NH2 ARG A 30 -6.663 -17.091 -18.048 1.00 2.76 N ATOM 0 H ARG A 30 -7.794 -14.816 -10.343 1.00 0.76 H new ATOM 0 HA ARG A 30 -6.853 -17.182 -11.491 1.00 0.76 H new ATOM 0 HB2 ARG A 30 -7.635 -14.807 -12.414 1.00 0.75 H new ATOM 0 HB3 ARG A 30 -5.951 -14.362 -12.216 1.00 0.75 H new ATOM 0 HG2 ARG A 30 -5.316 -15.490 -14.096 1.00 0.93 H new ATOM 0 HG3 ARG A 30 -6.239 -16.916 -13.663 1.00 0.93 H new ATOM 0 HD2 ARG A 30 -8.293 -15.978 -14.556 1.00 1.45 H new ATOM 0 HD3 ARG A 30 -7.583 -14.382 -14.704 1.00 1.45 H new ATOM 0 HE ARG A 30 -6.644 -14.975 -16.743 1.00 2.03 H new ATOM 0 HH11 ARG A 30 -7.564 -17.951 -15.056 1.00 3.16 H new ATOM 0 HH12 ARG A 30 -7.331 -18.967 -16.482 1.00 3.16 H new ATOM 0 HH21 ARG A 30 -6.408 -16.266 -18.591 1.00 2.76 H new ATOM 0 HH22 ARG A 30 -6.675 -18.010 -18.491 1.00 2.76 H new ATOM 461 N MET A 31 -4.524 -15.542 -9.887 1.00 0.72 N ATOM 462 CA MET A 31 -3.119 -15.534 -9.482 1.00 0.71 C ATOM 463 C MET A 31 -2.792 -16.726 -8.574 1.00 0.75 C ATOM 464 O MET A 31 -3.694 -17.290 -7.966 1.00 1.02 O ATOM 465 CB MET A 31 -2.820 -14.195 -8.798 1.00 0.71 C ATOM 466 CG MET A 31 -2.627 -13.099 -9.852 1.00 0.84 C ATOM 467 SD MET A 31 -0.884 -12.866 -10.298 1.00 1.32 S ATOM 468 CE MET A 31 -0.992 -11.480 -11.446 1.00 1.36 C ATOM 0 H MET A 31 -5.095 -14.863 -9.384 1.00 0.72 H new ATOM 0 HA MET A 31 -2.482 -15.639 -10.360 1.00 0.71 H new ATOM 0 HB2 MET A 31 -3.639 -13.928 -8.130 1.00 0.71 H new ATOM 0 HB3 MET A 31 -1.923 -14.283 -8.185 1.00 0.71 H new ATOM 0 HG2 MET A 31 -3.197 -13.354 -10.746 1.00 0.84 H new ATOM 0 HG3 MET A 31 -3.031 -12.160 -9.474 1.00 0.84 H new ATOM 0 HE1 MET A 31 0.006 -11.225 -11.803 1.00 1.36 H new ATOM 0 HE2 MET A 31 -1.621 -11.757 -12.292 1.00 1.36 H new ATOM 0 HE3 MET A 31 -1.426 -10.619 -10.937 1.00 1.36 H new ATOM 478 N PRO A 32 -1.511 -17.120 -8.470 1.00 0.70 N ATOM 479 CA PRO A 32 -1.099 -18.226 -7.621 1.00 0.73 C ATOM 480 C PRO A 32 -1.033 -17.805 -6.149 1.00 0.75 C ATOM 481 O PRO A 32 -1.577 -18.494 -5.292 1.00 1.25 O ATOM 482 CB PRO A 32 0.260 -18.669 -8.166 1.00 0.84 C ATOM 483 CG PRO A 32 0.846 -17.391 -8.767 1.00 0.89 C ATOM 484 CD PRO A 32 -0.389 -16.638 -9.265 1.00 0.79 C ATOM 0 HA PRO A 32 -1.814 -19.049 -7.643 1.00 0.73 H new ATOM 0 HB2 PRO A 32 0.897 -19.068 -7.377 1.00 0.84 H new ATOM 0 HB3 PRO A 32 0.154 -19.452 -8.917 1.00 0.84 H new ATOM 0 HG2 PRO A 32 1.397 -16.813 -8.025 1.00 0.89 H new ATOM 0 HG3 PRO A 32 1.539 -17.610 -9.580 1.00 0.89 H new ATOM 0 HD2 PRO A 32 -0.262 -15.562 -9.146 1.00 0.79 H new ATOM 0 HD3 PRO A 32 -0.556 -16.824 -10.326 1.00 0.79 H new ATOM 492 N GLY A 33 -0.391 -16.672 -5.838 1.00 0.66 N ATOM 493 CA GLY A 33 -0.077 -16.318 -4.458 1.00 0.69 C ATOM 494 C GLY A 33 -1.293 -15.819 -3.681 1.00 0.66 C ATOM 495 O GLY A 33 -1.229 -15.656 -2.462 1.00 0.65 O ATOM 0 H GLY A 33 -0.081 -15.988 -6.528 1.00 0.66 H new ATOM 0 HA2 GLY A 33 0.340 -17.188 -3.951 1.00 0.69 H new ATOM 0 HA3 GLY A 33 0.693 -15.547 -4.452 1.00 0.69 H new ATOM 499 N VAL A 34 -2.380 -15.504 -4.388 1.00 0.70 N ATOM 500 CA VAL A 34 -3.614 -15.025 -3.791 1.00 0.67 C ATOM 501 C VAL A 34 -4.176 -16.094 -2.860 1.00 0.72 C ATOM 502 O VAL A 34 -4.400 -17.225 -3.285 1.00 1.02 O ATOM 503 CB VAL A 34 -4.586 -14.603 -4.908 1.00 0.75 C ATOM 504 CG1 VAL A 34 -5.157 -15.812 -5.657 1.00 2.25 C ATOM 505 CG2 VAL A 34 -5.729 -13.733 -4.371 1.00 1.94 C ATOM 0 H VAL A 34 -2.422 -15.578 -5.404 1.00 0.70 H new ATOM 0 HA VAL A 34 -3.439 -14.142 -3.177 1.00 0.67 H new ATOM 0 HB VAL A 34 -4.003 -14.009 -5.612 1.00 0.75 H new ATOM 0 HG11 VAL A 34 -5.838 -15.469 -6.436 1.00 2.25 H new ATOM 0 HG12 VAL A 34 -4.342 -16.377 -6.110 1.00 2.25 H new ATOM 0 HG13 VAL A 34 -5.698 -16.451 -4.958 1.00 2.25 H new ATOM 0 HG21 VAL A 34 -6.392 -13.457 -5.191 1.00 1.94 H new ATOM 0 HG22 VAL A 34 -6.291 -14.292 -3.622 1.00 1.94 H new ATOM 0 HG23 VAL A 34 -5.318 -12.831 -3.917 1.00 1.94 H new ATOM 515 N THR A 35 -4.415 -15.740 -1.596 1.00 0.54 N ATOM 516 CA THR A 35 -5.198 -16.600 -0.733 1.00 0.55 C ATOM 517 C THR A 35 -6.657 -16.237 -0.920 1.00 0.49 C ATOM 518 O THR A 35 -7.469 -17.109 -1.230 1.00 0.60 O ATOM 519 CB THR A 35 -4.740 -16.510 0.717 1.00 0.78 C ATOM 520 OG1 THR A 35 -3.507 -17.184 0.772 1.00 1.16 O ATOM 521 CG2 THR A 35 -5.669 -17.235 1.693 1.00 1.16 C ATOM 0 H THR A 35 -4.082 -14.880 -1.161 1.00 0.54 H new ATOM 0 HA THR A 35 -5.055 -17.646 -1.006 1.00 0.55 H new ATOM 0 HB THR A 35 -4.708 -15.459 1.003 1.00 0.78 H new ATOM 0 HG1 THR A 35 -3.314 -17.438 1.699 1.00 1.16 H new ATOM 0 HG21 THR A 35 -5.284 -17.131 2.707 1.00 1.16 H new ATOM 0 HG22 THR A 35 -6.667 -16.800 1.637 1.00 1.16 H new ATOM 0 HG23 THR A 35 -5.719 -18.292 1.431 1.00 1.16 H new ATOM 529 N ASP A 36 -6.991 -14.952 -0.759 1.00 0.46 N ATOM 530 CA ASP A 36 -8.354 -14.521 -0.980 1.00 0.64 C ATOM 531 C ASP A 36 -8.414 -13.048 -1.369 1.00 0.60 C ATOM 532 O ASP A 36 -7.455 -12.298 -1.193 1.00 0.99 O ATOM 533 CB ASP A 36 -9.210 -14.830 0.259 1.00 0.87 C ATOM 534 CG ASP A 36 -10.700 -14.761 -0.045 1.00 1.17 C ATOM 535 OD1 ASP A 36 -11.042 -14.791 -1.250 1.00 2.05 O ATOM 536 OD2 ASP A 36 -11.485 -14.668 0.922 1.00 1.64 O ATOM 0 H ASP A 36 -6.343 -14.214 -0.482 1.00 0.46 H new ATOM 0 HA ASP A 36 -8.767 -15.079 -1.820 1.00 0.64 H new ATOM 0 HB2 ASP A 36 -8.962 -15.824 0.632 1.00 0.87 H new ATOM 0 HB3 ASP A 36 -8.969 -14.122 1.052 1.00 0.87 H new ATOM 541 N ALA A 37 -9.552 -12.657 -1.931 1.00 0.57 N ATOM 542 CA ALA A 37 -9.870 -11.308 -2.345 1.00 0.53 C ATOM 543 C ALA A 37 -11.263 -11.024 -1.802 1.00 0.54 C ATOM 544 O ALA A 37 -12.178 -11.797 -2.077 1.00 0.66 O ATOM 545 CB ALA A 37 -9.821 -11.227 -3.872 1.00 0.69 C ATOM 0 H ALA A 37 -10.312 -13.311 -2.117 1.00 0.57 H new ATOM 0 HA ALA A 37 -9.163 -10.570 -1.967 1.00 0.53 H new ATOM 0 HB1 ALA A 37 -10.060 -10.212 -4.190 1.00 0.69 H new ATOM 0 HB2 ALA A 37 -8.822 -11.490 -4.218 1.00 0.69 H new ATOM 0 HB3 ALA A 37 -10.547 -11.921 -4.297 1.00 0.69 H new ATOM 551 N ASN A 38 -11.399 -9.971 -0.993 1.00 0.48 N ATOM 552 CA ASN A 38 -12.658 -9.577 -0.383 1.00 0.55 C ATOM 553 C ASN A 38 -12.880 -8.096 -0.674 1.00 0.50 C ATOM 554 O ASN A 38 -11.921 -7.353 -0.887 1.00 0.46 O ATOM 555 CB ASN A 38 -12.621 -9.815 1.136 1.00 0.61 C ATOM 556 CG ASN A 38 -12.129 -11.204 1.541 1.00 0.91 C ATOM 557 OD1 ASN A 38 -11.283 -11.324 2.424 1.00 2.38 O ATOM 558 ND2 ASN A 38 -12.641 -12.253 0.907 1.00 1.06 N ATOM 0 H ASN A 38 -10.620 -9.362 -0.743 1.00 0.48 H new ATOM 0 HA ASN A 38 -13.472 -10.173 -0.795 1.00 0.55 H new ATOM 0 HB2 ASN A 38 -11.976 -9.065 1.594 1.00 0.61 H new ATOM 0 HB3 ASN A 38 -13.622 -9.664 1.541 1.00 0.61 H new ATOM 0 HD21 ASN A 38 -12.333 -13.195 1.149 1.00 1.06 H new ATOM 0 HD22 ASN A 38 -13.342 -12.117 0.179 1.00 1.06 H new ATOM 565 N VAL A 39 -14.131 -7.642 -0.667 1.00 0.60 N ATOM 566 CA VAL A 39 -14.482 -6.261 -0.939 1.00 0.54 C ATOM 567 C VAL A 39 -15.831 -5.961 -0.305 1.00 0.66 C ATOM 568 O VAL A 39 -16.748 -6.779 -0.337 1.00 0.93 O ATOM 569 CB VAL A 39 -14.454 -6.018 -2.456 1.00 0.61 C ATOM 570 CG1 VAL A 39 -15.538 -6.832 -3.170 1.00 0.94 C ATOM 571 CG2 VAL A 39 -14.598 -4.534 -2.805 1.00 0.49 C ATOM 0 H VAL A 39 -14.936 -8.236 -0.469 1.00 0.60 H new ATOM 0 HA VAL A 39 -13.760 -5.574 -0.498 1.00 0.54 H new ATOM 0 HB VAL A 39 -13.477 -6.351 -2.806 1.00 0.61 H new ATOM 0 HG11 VAL A 39 -15.492 -6.638 -4.242 1.00 0.94 H new ATOM 0 HG12 VAL A 39 -15.376 -7.894 -2.986 1.00 0.94 H new ATOM 0 HG13 VAL A 39 -16.518 -6.544 -2.791 1.00 0.94 H new ATOM 0 HG21 VAL A 39 -14.573 -4.411 -3.888 1.00 0.49 H new ATOM 0 HG22 VAL A 39 -15.546 -4.160 -2.419 1.00 0.49 H new ATOM 0 HG23 VAL A 39 -13.778 -3.974 -2.357 1.00 0.49 H new ATOM 581 N ASN A 40 -15.932 -4.776 0.288 1.00 0.93 N ATOM 582 CA ASN A 40 -17.124 -4.267 0.933 1.00 1.08 C ATOM 583 C ASN A 40 -17.560 -3.034 0.159 1.00 1.03 C ATOM 584 O ASN A 40 -17.261 -1.918 0.572 1.00 0.97 O ATOM 585 CB ASN A 40 -16.814 -3.923 2.398 1.00 1.17 C ATOM 586 CG ASN A 40 -16.994 -5.124 3.317 1.00 1.30 C ATOM 587 OD1 ASN A 40 -16.061 -5.877 3.569 1.00 1.54 O ATOM 588 ND2 ASN A 40 -18.206 -5.307 3.838 1.00 2.10 N ATOM 0 H ASN A 40 -15.150 -4.122 0.331 1.00 0.93 H new ATOM 0 HA ASN A 40 -17.924 -5.008 0.934 1.00 1.08 H new ATOM 0 HB2 ASN A 40 -15.790 -3.558 2.476 1.00 1.17 H new ATOM 0 HB3 ASN A 40 -17.467 -3.114 2.726 1.00 1.17 H new ATOM 0 HD21 ASN A 40 -18.378 -6.092 4.466 1.00 2.10 H new ATOM 0 HD22 ASN A 40 -18.962 -4.662 3.609 1.00 2.10 H new ATOM 595 N LEU A 41 -18.319 -3.213 -0.927 1.00 1.11 N ATOM 596 CA LEU A 41 -18.910 -2.102 -1.678 1.00 1.10 C ATOM 597 C LEU A 41 -19.777 -1.202 -0.791 1.00 1.10 C ATOM 598 O LEU A 41 -20.024 -0.048 -1.122 1.00 1.16 O ATOM 599 CB LEU A 41 -19.659 -2.620 -2.919 1.00 1.26 C ATOM 600 CG LEU A 41 -21.064 -3.172 -2.626 1.00 1.65 C ATOM 601 CD1 LEU A 41 -22.135 -2.193 -3.127 1.00 2.23 C ATOM 602 CD2 LEU A 41 -21.261 -4.521 -3.315 1.00 1.73 C ATOM 0 H LEU A 41 -18.541 -4.132 -1.310 1.00 1.11 H new ATOM 0 HA LEU A 41 -18.098 -1.468 -2.034 1.00 1.10 H new ATOM 0 HB2 LEU A 41 -19.744 -1.809 -3.642 1.00 1.26 H new ATOM 0 HB3 LEU A 41 -19.064 -3.404 -3.387 1.00 1.26 H new ATOM 0 HG LEU A 41 -21.161 -3.299 -1.548 1.00 1.65 H new ATOM 0 HD11 LEU A 41 -23.125 -2.596 -2.913 1.00 2.23 H new ATOM 0 HD12 LEU A 41 -22.017 -1.234 -2.622 1.00 2.23 H new ATOM 0 HD13 LEU A 41 -22.025 -2.052 -4.202 1.00 2.23 H new ATOM 0 HD21 LEU A 41 -22.260 -4.898 -3.098 1.00 1.73 H new ATOM 0 HD22 LEU A 41 -21.145 -4.400 -4.392 1.00 1.73 H new ATOM 0 HD23 LEU A 41 -20.518 -5.229 -2.948 1.00 1.73 H new ATOM 614 N ALA A 42 -20.212 -1.727 0.358 1.00 1.09 N ATOM 615 CA ALA A 42 -20.970 -0.985 1.348 1.00 1.10 C ATOM 616 C ALA A 42 -20.144 0.173 1.916 1.00 0.98 C ATOM 617 O ALA A 42 -20.705 1.209 2.262 1.00 0.99 O ATOM 618 CB ALA A 42 -21.422 -1.940 2.456 1.00 1.19 C ATOM 0 H ALA A 42 -20.040 -2.697 0.623 1.00 1.09 H new ATOM 0 HA ALA A 42 -21.850 -0.550 0.875 1.00 1.10 H new ATOM 0 HB1 ALA A 42 -21.992 -1.387 3.203 1.00 1.19 H new ATOM 0 HB2 ALA A 42 -22.048 -2.723 2.028 1.00 1.19 H new ATOM 0 HB3 ALA A 42 -20.548 -2.390 2.927 1.00 1.19 H new ATOM 624 N THR A 43 -18.824 -0.014 2.034 1.00 0.90 N ATOM 625 CA THR A 43 -17.889 1.007 2.504 1.00 0.82 C ATOM 626 C THR A 43 -16.816 1.348 1.450 1.00 0.73 C ATOM 627 O THR A 43 -15.991 2.228 1.679 1.00 0.93 O ATOM 628 CB THR A 43 -17.288 0.545 3.840 1.00 0.88 C ATOM 629 OG1 THR A 43 -16.822 -0.787 3.734 1.00 0.96 O ATOM 630 CG2 THR A 43 -18.350 0.587 4.948 1.00 1.07 C ATOM 0 H THR A 43 -18.370 -0.897 1.800 1.00 0.90 H new ATOM 0 HA THR A 43 -18.426 1.941 2.666 1.00 0.82 H new ATOM 0 HB THR A 43 -16.464 1.215 4.084 1.00 0.88 H new ATOM 0 HG1 THR A 43 -16.440 -1.069 4.591 1.00 0.96 H new ATOM 0 HG21 THR A 43 -17.908 0.257 5.888 1.00 1.07 H new ATOM 0 HG22 THR A 43 -18.720 1.606 5.059 1.00 1.07 H new ATOM 0 HG23 THR A 43 -19.177 -0.072 4.684 1.00 1.07 H new ATOM 638 N GLU A 44 -16.856 0.681 0.291 1.00 0.56 N ATOM 639 CA GLU A 44 -15.975 0.841 -0.856 1.00 0.57 C ATOM 640 C GLU A 44 -14.542 0.372 -0.556 1.00 0.54 C ATOM 641 O GLU A 44 -13.584 0.884 -1.138 1.00 0.79 O ATOM 642 CB GLU A 44 -16.079 2.270 -1.423 1.00 0.63 C ATOM 643 CG GLU A 44 -16.116 2.247 -2.959 1.00 1.69 C ATOM 644 CD GLU A 44 -16.191 3.636 -3.590 1.00 1.73 C ATOM 645 OE1 GLU A 44 -16.250 4.619 -2.820 1.00 1.58 O ATOM 646 OE2 GLU A 44 -16.218 3.687 -4.840 1.00 2.58 O ATOM 0 H GLU A 44 -17.561 -0.037 0.125 1.00 0.56 H new ATOM 0 HA GLU A 44 -16.311 0.177 -1.653 1.00 0.57 H new ATOM 0 HB2 GLU A 44 -16.978 2.753 -1.040 1.00 0.63 H new ATOM 0 HB3 GLU A 44 -15.230 2.863 -1.084 1.00 0.63 H new ATOM 0 HG2 GLU A 44 -15.226 1.737 -3.328 1.00 1.69 H new ATOM 0 HG3 GLU A 44 -16.976 1.662 -3.285 1.00 1.69 H new ATOM 653 N THR A 45 -14.385 -0.638 0.311 1.00 0.49 N ATOM 654 CA THR A 45 -13.098 -1.046 0.837 1.00 0.48 C ATOM 655 C THR A 45 -12.783 -2.411 0.238 1.00 0.47 C ATOM 656 O THR A 45 -13.541 -3.353 0.459 1.00 0.62 O ATOM 657 CB THR A 45 -13.206 -1.073 2.369 1.00 0.64 C ATOM 658 OG1 THR A 45 -13.118 0.246 2.878 1.00 0.73 O ATOM 659 CG2 THR A 45 -12.120 -1.923 3.012 1.00 0.85 C ATOM 0 H THR A 45 -15.164 -1.194 0.664 1.00 0.49 H new ATOM 0 HA THR A 45 -12.288 -0.365 0.577 1.00 0.48 H new ATOM 0 HB THR A 45 -14.170 -1.518 2.615 1.00 0.64 H new ATOM 0 HG1 THR A 45 -12.183 0.538 2.870 1.00 0.73 H new ATOM 0 HG21 THR A 45 -12.241 -1.909 4.095 1.00 0.85 H new ATOM 0 HG22 THR A 45 -12.199 -2.948 2.651 1.00 0.85 H new ATOM 0 HG23 THR A 45 -11.141 -1.521 2.751 1.00 0.85 H new ATOM 667 N VAL A 46 -11.698 -2.518 -0.529 1.00 0.38 N ATOM 668 CA VAL A 46 -11.156 -3.769 -1.026 1.00 0.39 C ATOM 669 C VAL A 46 -10.113 -4.267 -0.023 1.00 0.45 C ATOM 670 O VAL A 46 -9.227 -3.513 0.373 1.00 0.50 O ATOM 671 CB VAL A 46 -10.581 -3.570 -2.444 1.00 0.36 C ATOM 672 CG1 VAL A 46 -9.543 -2.444 -2.568 1.00 0.43 C ATOM 673 CG2 VAL A 46 -9.941 -4.861 -2.950 1.00 0.40 C ATOM 0 H VAL A 46 -11.159 -1.705 -0.828 1.00 0.38 H new ATOM 0 HA VAL A 46 -11.933 -4.528 -1.116 1.00 0.39 H new ATOM 0 HB VAL A 46 -11.441 -3.282 -3.048 1.00 0.36 H new ATOM 0 HG11 VAL A 46 -9.197 -2.380 -3.600 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -9.998 -1.497 -2.279 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -8.697 -2.655 -1.914 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -9.541 -4.701 -3.951 1.00 0.40 H new ATOM 0 HG22 VAL A 46 -9.133 -5.154 -2.279 1.00 0.40 H new ATOM 0 HG23 VAL A 46 -10.691 -5.651 -2.981 1.00 0.40 H new ATOM 683 N ASN A 47 -10.216 -5.536 0.377 1.00 0.42 N ATOM 684 CA ASN A 47 -9.272 -6.195 1.263 1.00 0.40 C ATOM 685 C ASN A 47 -8.733 -7.415 0.523 1.00 0.35 C ATOM 686 O ASN A 47 -9.475 -8.376 0.317 1.00 0.35 O ATOM 687 CB ASN A 47 -9.959 -6.642 2.562 1.00 0.51 C ATOM 688 CG ASN A 47 -10.471 -5.496 3.425 1.00 1.57 C ATOM 689 OD1 ASN A 47 -10.091 -4.345 3.257 1.00 2.80 O ATOM 690 ND2 ASN A 47 -11.354 -5.800 4.373 1.00 2.17 N ATOM 0 H ASN A 47 -10.980 -6.144 0.082 1.00 0.42 H new ATOM 0 HA ASN A 47 -8.470 -5.508 1.532 1.00 0.40 H new ATOM 0 HB2 ASN A 47 -10.795 -7.295 2.311 1.00 0.51 H new ATOM 0 HB3 ASN A 47 -9.256 -7.235 3.146 1.00 0.51 H new ATOM 0 HD21 ASN A 47 -11.727 -5.067 4.976 1.00 2.17 H new ATOM 0 HD22 ASN A 47 -11.658 -6.766 4.496 1.00 2.17 H new ATOM 697 N VAL A 48 -7.467 -7.390 0.102 1.00 0.36 N ATOM 698 CA VAL A 48 -6.864 -8.514 -0.617 1.00 0.36 C ATOM 699 C VAL A 48 -5.838 -9.197 0.280 1.00 0.39 C ATOM 700 O VAL A 48 -5.064 -8.501 0.936 1.00 0.46 O ATOM 701 CB VAL A 48 -6.223 -8.074 -1.946 1.00 0.34 C ATOM 702 CG1 VAL A 48 -6.126 -9.303 -2.862 1.00 0.36 C ATOM 703 CG2 VAL A 48 -7.041 -7.003 -2.673 1.00 0.36 C ATOM 0 H VAL A 48 -6.838 -6.601 0.247 1.00 0.36 H new ATOM 0 HA VAL A 48 -7.655 -9.220 -0.869 1.00 0.36 H new ATOM 0 HB VAL A 48 -5.246 -7.648 -1.717 1.00 0.34 H new ATOM 0 HG11 VAL A 48 -5.674 -9.015 -3.811 1.00 0.36 H new ATOM 0 HG12 VAL A 48 -5.511 -10.065 -2.384 1.00 0.36 H new ATOM 0 HG13 VAL A 48 -7.124 -9.702 -3.042 1.00 0.36 H new ATOM 0 HG21 VAL A 48 -6.541 -6.732 -3.603 1.00 0.36 H new ATOM 0 HG22 VAL A 48 -8.034 -7.393 -2.896 1.00 0.36 H new ATOM 0 HG23 VAL A 48 -7.131 -6.121 -2.039 1.00 0.36 H new ATOM 713 N ILE A 49 -5.824 -10.537 0.303 1.00 0.39 N ATOM 714 CA ILE A 49 -4.906 -11.338 1.097 1.00 0.43 C ATOM 715 C ILE A 49 -4.153 -12.299 0.170 1.00 0.39 C ATOM 716 O ILE A 49 -4.764 -13.139 -0.496 1.00 0.38 O ATOM 717 CB ILE A 49 -5.647 -12.084 2.223 1.00 0.52 C ATOM 718 CG1 ILE A 49 -6.507 -11.134 3.083 1.00 0.59 C ATOM 719 CG2 ILE A 49 -4.619 -12.777 3.130 1.00 0.67 C ATOM 720 CD1 ILE A 49 -7.965 -11.062 2.618 1.00 1.58 C ATOM 0 H ILE A 49 -6.472 -11.101 -0.248 1.00 0.39 H new ATOM 0 HA ILE A 49 -4.183 -10.685 1.586 1.00 0.43 H new ATOM 0 HB ILE A 49 -6.311 -12.811 1.756 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -6.478 -11.466 4.121 1.00 0.59 H new ATOM 0 HG13 ILE A 49 -6.073 -10.135 3.056 1.00 0.59 H new ATOM 0 HG21 ILE A 49 -5.138 -13.307 3.929 1.00 0.67 H new ATOM 0 HG22 ILE A 49 -4.036 -13.487 2.543 1.00 0.67 H new ATOM 0 HG23 ILE A 49 -3.953 -12.030 3.562 1.00 0.67 H new ATOM 0 HD11 ILE A 49 -8.519 -10.378 3.262 1.00 1.58 H new ATOM 0 HD12 ILE A 49 -8.002 -10.702 1.590 1.00 1.58 H new ATOM 0 HD13 ILE A 49 -8.413 -12.054 2.671 1.00 1.58 H new ATOM 732 N TYR A 50 -2.827 -12.165 0.100 1.00 0.41 N ATOM 733 CA TYR A 50 -2.005 -12.912 -0.845 1.00 0.38 C ATOM 734 C TYR A 50 -0.586 -13.052 -0.298 1.00 0.44 C ATOM 735 O TYR A 50 -0.238 -12.420 0.706 1.00 0.49 O ATOM 736 CB TYR A 50 -1.974 -12.167 -2.188 1.00 0.37 C ATOM 737 CG TYR A 50 -1.519 -10.728 -2.081 1.00 0.40 C ATOM 738 CD1 TYR A 50 -0.154 -10.388 -2.107 1.00 1.59 C ATOM 739 CD2 TYR A 50 -2.485 -9.722 -1.925 1.00 1.78 C ATOM 740 CE1 TYR A 50 0.236 -9.053 -1.897 1.00 1.59 C ATOM 741 CE2 TYR A 50 -2.100 -8.379 -1.875 1.00 1.81 C ATOM 742 CZ TYR A 50 -0.742 -8.051 -1.772 1.00 0.48 C ATOM 743 OH TYR A 50 -0.384 -6.811 -1.338 1.00 0.63 O ATOM 0 H TYR A 50 -2.295 -11.534 0.699 1.00 0.41 H new ATOM 0 HA TYR A 50 -2.428 -13.906 -0.990 1.00 0.38 H new ATOM 0 HB2 TYR A 50 -1.311 -12.698 -2.871 1.00 0.37 H new ATOM 0 HB3 TYR A 50 -2.971 -12.191 -2.628 1.00 0.37 H new ATOM 0 HD1 TYR A 50 0.591 -11.149 -2.287 1.00 1.59 H new ATOM 0 HD2 TYR A 50 -3.529 -9.986 -1.843 1.00 1.78 H new ATOM 0 HE1 TYR A 50 1.284 -8.799 -1.832 1.00 1.59 H new ATOM 0 HE2 TYR A 50 -2.845 -7.599 -1.916 1.00 1.81 H new ATOM 0 HH TYR A 50 -0.616 -6.146 -2.020 1.00 0.63 H new ATOM 753 N ASP A 51 0.239 -13.855 -0.980 1.00 0.47 N ATOM 754 CA ASP A 51 1.595 -14.127 -0.538 1.00 0.54 C ATOM 755 C ASP A 51 2.532 -13.070 -1.106 1.00 0.54 C ATOM 756 O ASP A 51 2.616 -12.925 -2.332 1.00 0.52 O ATOM 757 CB ASP A 51 2.063 -15.527 -0.969 1.00 0.65 C ATOM 758 CG ASP A 51 2.802 -16.168 0.193 1.00 1.05 C ATOM 759 OD1 ASP A 51 3.978 -15.787 0.372 1.00 1.76 O ATOM 760 OD2 ASP A 51 2.141 -16.943 0.924 1.00 2.09 O ATOM 0 H ASP A 51 -0.020 -14.327 -1.846 1.00 0.47 H new ATOM 0 HA ASP A 51 1.611 -14.094 0.551 1.00 0.54 H new ATOM 0 HB2 ASP A 51 1.209 -16.139 -1.259 1.00 0.65 H new ATOM 0 HB3 ASP A 51 2.715 -15.457 -1.840 1.00 0.65 H new ATOM 765 N PRO A 52 3.266 -12.320 -0.272 1.00 0.64 N ATOM 766 CA PRO A 52 4.120 -11.246 -0.746 1.00 0.68 C ATOM 767 C PRO A 52 5.446 -11.775 -1.311 1.00 0.74 C ATOM 768 O PRO A 52 6.471 -11.108 -1.175 1.00 0.86 O ATOM 769 CB PRO A 52 4.321 -10.364 0.493 1.00 0.86 C ATOM 770 CG PRO A 52 4.315 -11.379 1.640 1.00 0.92 C ATOM 771 CD PRO A 52 3.292 -12.414 1.179 1.00 0.77 C ATOM 0 HA PRO A 52 3.680 -10.694 -1.576 1.00 0.68 H new ATOM 0 HB2 PRO A 52 5.259 -9.811 0.448 1.00 0.86 H new ATOM 0 HB3 PRO A 52 3.523 -9.629 0.600 1.00 0.86 H new ATOM 0 HG2 PRO A 52 5.299 -11.823 1.790 1.00 0.92 H new ATOM 0 HG3 PRO A 52 4.025 -10.919 2.585 1.00 0.92 H new ATOM 0 HD2 PRO A 52 3.575 -13.416 1.502 1.00 0.77 H new ATOM 0 HD3 PRO A 52 2.309 -12.209 1.603 1.00 0.77 H new ATOM 779 N ALA A 53 5.428 -12.940 -1.969 1.00 0.71 N ATOM 780 CA ALA A 53 6.621 -13.572 -2.526 1.00 0.81 C ATOM 781 C ALA A 53 6.290 -14.572 -3.631 1.00 0.87 C ATOM 782 O ALA A 53 7.060 -15.491 -3.898 1.00 1.25 O ATOM 783 CB ALA A 53 7.421 -14.255 -1.415 1.00 1.02 C ATOM 0 H ALA A 53 4.573 -13.473 -2.129 1.00 0.71 H new ATOM 0 HA ALA A 53 7.223 -12.784 -2.978 1.00 0.81 H new ATOM 0 HB1 ALA A 53 8.308 -14.723 -1.841 1.00 1.02 H new ATOM 0 HB2 ALA A 53 7.722 -13.514 -0.675 1.00 1.02 H new ATOM 0 HB3 ALA A 53 6.804 -15.015 -0.937 1.00 1.02 H new ATOM 789 N GLU A 54 5.168 -14.335 -4.304 1.00 0.72 N ATOM 790 CA GLU A 54 4.770 -15.032 -5.510 1.00 0.78 C ATOM 791 C GLU A 54 4.175 -14.031 -6.492 1.00 0.75 C ATOM 792 O GLU A 54 4.542 -14.010 -7.663 1.00 0.93 O ATOM 793 CB GLU A 54 3.719 -16.104 -5.207 1.00 0.79 C ATOM 794 CG GLU A 54 4.295 -17.325 -4.483 1.00 0.83 C ATOM 795 CD GLU A 54 3.358 -18.531 -4.547 1.00 0.92 C ATOM 796 OE1 GLU A 54 2.514 -18.558 -5.471 1.00 1.31 O ATOM 797 OE2 GLU A 54 3.512 -19.414 -3.678 1.00 2.10 O ATOM 0 H GLU A 54 4.493 -13.629 -4.011 1.00 0.72 H new ATOM 0 HA GLU A 54 5.651 -15.514 -5.934 1.00 0.78 H new ATOM 0 HB2 GLU A 54 2.929 -15.667 -4.597 1.00 0.79 H new ATOM 0 HB3 GLU A 54 3.259 -16.427 -6.141 1.00 0.79 H new ATOM 0 HG2 GLU A 54 5.255 -17.589 -4.927 1.00 0.83 H new ATOM 0 HG3 GLU A 54 4.486 -17.070 -3.440 1.00 0.83 H new ATOM 804 N THR A 55 3.219 -13.228 -6.013 1.00 0.64 N ATOM 805 CA THR A 55 2.358 -12.447 -6.876 1.00 0.67 C ATOM 806 C THR A 55 2.901 -11.019 -6.946 1.00 0.70 C ATOM 807 O THR A 55 3.599 -10.677 -7.897 1.00 0.85 O ATOM 808 CB THR A 55 0.918 -12.600 -6.368 1.00 0.57 C ATOM 809 OG1 THR A 55 0.437 -13.899 -6.665 1.00 0.63 O ATOM 810 CG2 THR A 55 -0.004 -11.569 -6.999 1.00 0.66 C ATOM 0 H THR A 55 3.029 -13.109 -5.018 1.00 0.64 H new ATOM 0 HA THR A 55 2.345 -12.793 -7.910 1.00 0.67 H new ATOM 0 HB THR A 55 0.927 -12.443 -5.289 1.00 0.57 H new ATOM 0 HG1 THR A 55 -0.482 -13.991 -6.337 1.00 0.63 H new ATOM 0 HG21 THR A 55 -1.016 -11.705 -6.618 1.00 0.66 H new ATOM 0 HG22 THR A 55 0.346 -10.567 -6.750 1.00 0.66 H new ATOM 0 HG23 THR A 55 -0.004 -11.695 -8.082 1.00 0.66 H new ATOM 818 N GLY A 56 2.614 -10.184 -5.940 1.00 0.63 N ATOM 819 CA GLY A 56 3.158 -8.841 -5.851 1.00 0.76 C ATOM 820 C GLY A 56 2.023 -7.838 -5.700 1.00 0.65 C ATOM 821 O GLY A 56 1.150 -7.740 -6.562 1.00 0.68 O ATOM 0 H GLY A 56 1.995 -10.430 -5.167 1.00 0.63 H new ATOM 0 HA2 GLY A 56 3.836 -8.768 -5.001 1.00 0.76 H new ATOM 0 HA3 GLY A 56 3.741 -8.614 -6.744 1.00 0.76 H new ATOM 825 N THR A 57 2.051 -7.079 -4.603 1.00 0.63 N ATOM 826 CA THR A 57 1.087 -6.013 -4.348 1.00 0.62 C ATOM 827 C THR A 57 0.931 -5.109 -5.576 1.00 0.58 C ATOM 828 O THR A 57 -0.185 -4.785 -5.977 1.00 0.56 O ATOM 829 CB THR A 57 1.442 -5.257 -3.058 1.00 0.69 C ATOM 830 OG1 THR A 57 0.314 -4.570 -2.553 1.00 1.00 O ATOM 831 CG2 THR A 57 2.623 -4.308 -3.219 1.00 0.68 C ATOM 0 H THR A 57 2.747 -7.189 -3.865 1.00 0.63 H new ATOM 0 HA THR A 57 0.103 -6.451 -4.178 1.00 0.62 H new ATOM 0 HB THR A 57 1.753 -6.013 -2.337 1.00 0.69 H new ATOM 0 HG1 THR A 57 0.560 -4.097 -1.731 1.00 1.00 H new ATOM 0 HG21 THR A 57 2.819 -3.807 -2.271 1.00 0.68 H new ATOM 0 HG22 THR A 57 3.505 -4.873 -3.521 1.00 0.68 H new ATOM 0 HG23 THR A 57 2.391 -3.564 -3.981 1.00 0.68 H new ATOM 839 N ALA A 58 2.060 -4.762 -6.200 1.00 0.60 N ATOM 840 CA ALA A 58 2.090 -3.956 -7.407 1.00 0.61 C ATOM 841 C ALA A 58 1.298 -4.623 -8.533 1.00 0.57 C ATOM 842 O ALA A 58 0.538 -3.963 -9.230 1.00 0.56 O ATOM 843 CB ALA A 58 3.541 -3.708 -7.823 1.00 0.69 C ATOM 0 H ALA A 58 2.985 -5.040 -5.872 1.00 0.60 H new ATOM 0 HA ALA A 58 1.615 -2.996 -7.203 1.00 0.61 H new ATOM 0 HB1 ALA A 58 3.561 -3.103 -8.729 1.00 0.69 H new ATOM 0 HB2 ALA A 58 4.064 -3.182 -7.024 1.00 0.69 H new ATOM 0 HB3 ALA A 58 4.033 -4.662 -8.013 1.00 0.69 H new ATOM 849 N ALA A 59 1.434 -5.938 -8.714 1.00 0.58 N ATOM 850 CA ALA A 59 0.719 -6.617 -9.783 1.00 0.59 C ATOM 851 C ALA A 59 -0.778 -6.654 -9.485 1.00 0.58 C ATOM 852 O ALA A 59 -1.610 -6.516 -10.380 1.00 0.60 O ATOM 853 CB ALA A 59 1.250 -8.030 -9.953 1.00 0.64 C ATOM 0 H ALA A 59 2.024 -6.542 -8.141 1.00 0.58 H new ATOM 0 HA ALA A 59 0.877 -6.065 -10.710 1.00 0.59 H new ATOM 0 HB1 ALA A 59 0.707 -8.529 -10.756 1.00 0.64 H new ATOM 0 HB2 ALA A 59 2.311 -7.993 -10.201 1.00 0.64 H new ATOM 0 HB3 ALA A 59 1.114 -8.584 -9.024 1.00 0.64 H new ATOM 859 N ILE A 60 -1.128 -6.867 -8.220 1.00 0.60 N ATOM 860 CA ILE A 60 -2.518 -6.902 -7.797 1.00 0.65 C ATOM 861 C ILE A 60 -3.169 -5.535 -8.017 1.00 0.49 C ATOM 862 O ILE A 60 -4.210 -5.447 -8.671 1.00 0.43 O ATOM 863 CB ILE A 60 -2.598 -7.427 -6.365 1.00 0.99 C ATOM 864 CG1 ILE A 60 -2.290 -8.932 -6.456 1.00 1.79 C ATOM 865 CG2 ILE A 60 -3.913 -7.049 -5.676 1.00 0.59 C ATOM 866 CD1 ILE A 60 -2.219 -9.592 -5.090 1.00 0.68 C ATOM 0 H ILE A 60 -0.458 -7.019 -7.466 1.00 0.60 H new ATOM 0 HA ILE A 60 -3.097 -7.597 -8.406 1.00 0.65 H new ATOM 0 HB ILE A 60 -1.867 -6.960 -5.705 1.00 0.99 H new ATOM 0 HG12 ILE A 60 -3.059 -9.422 -7.054 1.00 1.79 H new ATOM 0 HG13 ILE A 60 -1.343 -9.075 -6.976 1.00 1.79 H new ATOM 0 HG21 ILE A 60 -3.919 -7.446 -4.661 1.00 0.59 H new ATOM 0 HG22 ILE A 60 -4.007 -5.964 -5.642 1.00 0.59 H new ATOM 0 HG23 ILE A 60 -4.750 -7.468 -6.235 1.00 0.59 H new ATOM 0 HD11 ILE A 60 -1.999 -10.653 -5.209 1.00 0.68 H new ATOM 0 HD12 ILE A 60 -1.432 -9.123 -4.500 1.00 0.68 H new ATOM 0 HD13 ILE A 60 -3.175 -9.475 -4.579 1.00 0.68 H new ATOM 878 N GLN A 61 -2.545 -4.462 -7.521 1.00 0.54 N ATOM 879 CA GLN A 61 -3.050 -3.123 -7.792 1.00 0.59 C ATOM 880 C GLN A 61 -3.086 -2.887 -9.304 1.00 0.56 C ATOM 881 O GLN A 61 -4.068 -2.360 -9.823 1.00 0.59 O ATOM 882 CB GLN A 61 -2.310 -2.046 -6.978 1.00 0.73 C ATOM 883 CG GLN A 61 -1.031 -1.521 -7.626 1.00 0.85 C ATOM 884 CD GLN A 61 -0.297 -0.544 -6.724 1.00 1.55 C ATOM 885 OE1 GLN A 61 0.521 -0.946 -5.901 1.00 2.63 O ATOM 886 NE2 GLN A 61 -0.568 0.746 -6.877 1.00 1.53 N ATOM 0 H GLN A 61 -1.706 -4.497 -6.942 1.00 0.54 H new ATOM 0 HA GLN A 61 -4.079 -3.039 -7.443 1.00 0.59 H new ATOM 0 HB2 GLN A 61 -2.987 -1.208 -6.811 1.00 0.73 H new ATOM 0 HB3 GLN A 61 -2.063 -2.456 -5.999 1.00 0.73 H new ATOM 0 HG2 GLN A 61 -0.375 -2.358 -7.864 1.00 0.85 H new ATOM 0 HG3 GLN A 61 -1.276 -1.031 -8.568 1.00 0.85 H new ATOM 0 HE21 GLN A 61 -1.254 1.044 -7.571 1.00 1.53 H new ATOM 0 HE22 GLN A 61 -0.091 1.439 -6.301 1.00 1.53 H new ATOM 895 N GLU A 62 -2.062 -3.348 -10.033 1.00 0.56 N ATOM 896 CA GLU A 62 -2.041 -3.198 -11.476 1.00 0.63 C ATOM 897 C GLU A 62 -3.246 -3.915 -12.103 1.00 0.56 C ATOM 898 O GLU A 62 -3.848 -3.425 -13.057 1.00 0.60 O ATOM 899 CB GLU A 62 -0.685 -3.678 -12.011 1.00 0.78 C ATOM 900 CG GLU A 62 -0.574 -3.513 -13.525 1.00 0.98 C ATOM 901 CD GLU A 62 0.746 -2.894 -13.957 1.00 2.36 C ATOM 902 OE1 GLU A 62 1.797 -3.459 -13.598 1.00 2.86 O ATOM 903 OE2 GLU A 62 0.650 -1.864 -14.661 1.00 3.63 O ATOM 0 H GLU A 62 -1.248 -3.823 -9.643 1.00 0.56 H new ATOM 0 HA GLU A 62 -2.141 -2.150 -11.758 1.00 0.63 H new ATOM 0 HB2 GLU A 62 0.114 -3.118 -11.526 1.00 0.78 H new ATOM 0 HB3 GLU A 62 -0.543 -4.727 -11.750 1.00 0.78 H new ATOM 0 HG2 GLU A 62 -0.686 -4.487 -14.001 1.00 0.98 H new ATOM 0 HG3 GLU A 62 -1.395 -2.889 -13.879 1.00 0.98 H new ATOM 910 N LYS A 63 -3.647 -5.069 -11.566 1.00 0.50 N ATOM 911 CA LYS A 63 -4.777 -5.799 -12.084 1.00 0.51 C ATOM 912 C LYS A 63 -6.066 -4.998 -11.906 1.00 0.45 C ATOM 913 O LYS A 63 -6.864 -4.938 -12.836 1.00 0.46 O ATOM 914 CB LYS A 63 -4.821 -7.180 -11.424 1.00 0.55 C ATOM 915 CG LYS A 63 -5.766 -8.143 -12.143 1.00 0.95 C ATOM 916 CD LYS A 63 -5.461 -8.361 -13.637 1.00 1.68 C ATOM 917 CE LYS A 63 -3.983 -8.629 -13.963 1.00 1.20 C ATOM 918 NZ LYS A 63 -3.431 -9.749 -13.180 1.00 2.52 N ATOM 0 H LYS A 63 -3.193 -5.511 -10.766 1.00 0.50 H new ATOM 0 HA LYS A 63 -4.672 -5.951 -13.158 1.00 0.51 H new ATOM 0 HB2 LYS A 63 -3.817 -7.604 -11.410 1.00 0.55 H new ATOM 0 HB3 LYS A 63 -5.137 -7.073 -10.386 1.00 0.55 H new ATOM 0 HG2 LYS A 63 -5.732 -9.107 -11.636 1.00 0.95 H new ATOM 0 HG3 LYS A 63 -6.785 -7.768 -12.047 1.00 0.95 H new ATOM 0 HD2 LYS A 63 -6.055 -9.202 -13.995 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -5.787 -7.481 -14.192 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -3.882 -8.847 -15.026 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -3.401 -7.729 -13.765 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -2.707 -10.242 -13.741 1.00 2.52 H new ATOM 0 HZ2 LYS A 63 -3.002 -9.383 -12.306 1.00 2.52 H new ATOM 0 HZ3 LYS A 63 -4.194 -10.414 -12.939 1.00 2.52 H new ATOM 932 N ILE A 64 -6.263 -4.361 -10.746 1.00 0.41 N ATOM 933 CA ILE A 64 -7.381 -3.441 -10.547 1.00 0.38 C ATOM 934 C ILE A 64 -7.390 -2.399 -11.669 1.00 0.40 C ATOM 935 O ILE A 64 -8.432 -2.153 -12.279 1.00 0.43 O ATOM 936 CB ILE A 64 -7.312 -2.806 -9.143 1.00 0.36 C ATOM 937 CG1 ILE A 64 -7.669 -3.878 -8.095 1.00 0.50 C ATOM 938 CG2 ILE A 64 -8.292 -1.635 -8.988 1.00 0.37 C ATOM 939 CD1 ILE A 64 -7.028 -3.645 -6.727 1.00 0.58 C ATOM 0 H ILE A 64 -5.659 -4.468 -9.931 1.00 0.41 H new ATOM 0 HA ILE A 64 -8.325 -3.984 -10.596 1.00 0.38 H new ATOM 0 HB ILE A 64 -6.301 -2.425 -9.000 1.00 0.36 H new ATOM 0 HG12 ILE A 64 -8.752 -3.910 -7.977 1.00 0.50 H new ATOM 0 HG13 ILE A 64 -7.360 -4.854 -8.469 1.00 0.50 H new ATOM 0 HG21 ILE A 64 -8.207 -1.220 -7.984 1.00 0.37 H new ATOM 0 HG22 ILE A 64 -8.056 -0.863 -9.720 1.00 0.37 H new ATOM 0 HG23 ILE A 64 -9.310 -1.989 -9.150 1.00 0.37 H new ATOM 0 HD11 ILE A 64 -7.327 -4.441 -6.045 1.00 0.58 H new ATOM 0 HD12 ILE A 64 -5.943 -3.643 -6.829 1.00 0.58 H new ATOM 0 HD13 ILE A 64 -7.357 -2.684 -6.330 1.00 0.58 H new ATOM 951 N GLU A 65 -6.231 -1.813 -11.978 1.00 0.42 N ATOM 952 CA GLU A 65 -6.172 -0.847 -13.064 1.00 0.45 C ATOM 953 C GLU A 65 -6.614 -1.460 -14.386 1.00 0.50 C ATOM 954 O GLU A 65 -7.492 -0.927 -15.060 1.00 0.54 O ATOM 955 CB GLU A 65 -4.775 -0.275 -13.243 1.00 0.55 C ATOM 956 CG GLU A 65 -4.155 0.359 -12.003 1.00 0.76 C ATOM 957 CD GLU A 65 -2.836 1.009 -12.404 1.00 1.27 C ATOM 958 OE1 GLU A 65 -2.333 0.630 -13.494 1.00 2.19 O ATOM 959 OE2 GLU A 65 -2.360 1.860 -11.626 1.00 1.47 O ATOM 0 H GLU A 65 -5.345 -1.987 -11.503 1.00 0.42 H new ATOM 0 HA GLU A 65 -6.855 -0.045 -12.786 1.00 0.45 H new ATOM 0 HB2 GLU A 65 -4.117 -1.073 -13.588 1.00 0.55 H new ATOM 0 HB3 GLU A 65 -4.808 0.475 -14.034 1.00 0.55 H new ATOM 0 HG2 GLU A 65 -4.830 1.102 -11.579 1.00 0.76 H new ATOM 0 HG3 GLU A 65 -3.988 -0.396 -11.234 1.00 0.76 H new ATOM 966 N LYS A 66 -5.985 -2.569 -14.778 1.00 0.53 N ATOM 967 CA LYS A 66 -6.202 -3.165 -16.090 1.00 0.62 C ATOM 968 C LYS A 66 -7.630 -3.706 -16.220 1.00 0.60 C ATOM 969 O LYS A 66 -8.174 -3.756 -17.319 1.00 0.66 O ATOM 970 CB LYS A 66 -5.119 -4.204 -16.410 1.00 0.80 C ATOM 971 CG LYS A 66 -3.873 -3.542 -17.035 1.00 1.06 C ATOM 972 CD LYS A 66 -2.971 -2.864 -15.990 1.00 2.24 C ATOM 973 CE LYS A 66 -2.050 -1.760 -16.540 1.00 3.22 C ATOM 974 NZ LYS A 66 -1.568 -0.805 -15.502 1.00 4.59 N ATOM 0 H LYS A 66 -5.316 -3.074 -14.197 1.00 0.53 H new ATOM 0 HA LYS A 66 -6.106 -2.388 -16.849 1.00 0.62 H new ATOM 0 HB2 LYS A 66 -4.835 -4.729 -15.498 1.00 0.80 H new ATOM 0 HB3 LYS A 66 -5.520 -4.950 -17.096 1.00 0.80 H new ATOM 0 HG2 LYS A 66 -3.297 -4.296 -17.571 1.00 1.06 H new ATOM 0 HG3 LYS A 66 -4.190 -2.802 -17.769 1.00 1.06 H new ATOM 0 HD2 LYS A 66 -3.602 -2.435 -15.212 1.00 2.24 H new ATOM 0 HD3 LYS A 66 -2.354 -3.627 -15.515 1.00 2.24 H new ATOM 0 HE2 LYS A 66 -1.189 -2.224 -17.021 1.00 3.22 H new ATOM 0 HE3 LYS A 66 -2.584 -1.205 -17.311 1.00 3.22 H new ATOM 0 HZ1 LYS A 66 -1.300 0.092 -15.954 1.00 4.59 H new ATOM 0 HZ2 LYS A 66 -2.326 -0.632 -14.811 1.00 4.59 H new ATOM 0 HZ3 LYS A 66 -0.742 -1.209 -15.016 1.00 4.59 H new ATOM 988 N LEU A 67 -8.260 -4.064 -15.097 1.00 0.56 N ATOM 989 CA LEU A 67 -9.680 -4.389 -15.037 1.00 0.57 C ATOM 990 C LEU A 67 -10.568 -3.178 -15.370 1.00 0.59 C ATOM 991 O LEU A 67 -11.745 -3.363 -15.674 1.00 0.69 O ATOM 992 CB LEU A 67 -10.009 -4.988 -13.659 1.00 0.53 C ATOM 993 CG LEU A 67 -9.768 -6.502 -13.483 1.00 0.68 C ATOM 994 CD1 LEU A 67 -11.099 -7.260 -13.547 1.00 1.53 C ATOM 995 CD2 LEU A 67 -8.788 -7.141 -14.476 1.00 2.45 C ATOM 0 H LEU A 67 -7.788 -4.136 -14.195 1.00 0.56 H new ATOM 0 HA LEU A 67 -9.899 -5.133 -15.802 1.00 0.57 H new ATOM 0 HB2 LEU A 67 -9.419 -4.461 -12.910 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -11.057 -4.783 -13.441 1.00 0.53 H new ATOM 0 HG LEU A 67 -9.297 -6.588 -12.504 1.00 0.68 H new ATOM 0 HD11 LEU A 67 -10.916 -8.327 -13.422 1.00 1.53 H new ATOM 0 HD12 LEU A 67 -11.756 -6.909 -12.752 1.00 1.53 H new ATOM 0 HD13 LEU A 67 -11.572 -7.084 -14.513 1.00 1.53 H new ATOM 0 HD21 LEU A 67 -8.694 -8.205 -14.261 1.00 2.45 H new ATOM 0 HD22 LEU A 67 -9.161 -7.008 -15.492 1.00 2.45 H new ATOM 0 HD23 LEU A 67 -7.812 -6.664 -14.382 1.00 2.45 H new ATOM 1007 N GLY A 68 -10.024 -1.959 -15.337 1.00 0.54 N ATOM 1008 CA GLY A 68 -10.703 -0.737 -15.745 1.00 0.57 C ATOM 1009 C GLY A 68 -11.207 0.035 -14.531 1.00 0.51 C ATOM 1010 O GLY A 68 -12.316 0.565 -14.549 1.00 0.58 O ATOM 0 H GLY A 68 -9.070 -1.795 -15.015 1.00 0.54 H new ATOM 0 HA2 GLY A 68 -10.021 -0.112 -16.321 1.00 0.57 H new ATOM 0 HA3 GLY A 68 -11.540 -0.982 -16.399 1.00 0.57 H new ATOM 1014 N TYR A 69 -10.388 0.094 -13.477 1.00 0.45 N ATOM 1015 CA TYR A 69 -10.702 0.779 -12.226 1.00 0.42 C ATOM 1016 C TYR A 69 -9.518 1.649 -11.795 1.00 0.39 C ATOM 1017 O TYR A 69 -8.499 1.695 -12.477 1.00 0.44 O ATOM 1018 CB TYR A 69 -11.086 -0.257 -11.161 1.00 0.41 C ATOM 1019 CG TYR A 69 -12.279 -1.106 -11.555 1.00 0.50 C ATOM 1020 CD1 TYR A 69 -12.085 -2.292 -12.285 1.00 1.94 C ATOM 1021 CD2 TYR A 69 -13.582 -0.624 -11.347 1.00 1.67 C ATOM 1022 CE1 TYR A 69 -13.186 -2.968 -12.836 1.00 2.09 C ATOM 1023 CE2 TYR A 69 -14.682 -1.295 -11.905 1.00 1.70 C ATOM 1024 CZ TYR A 69 -14.479 -2.451 -12.675 1.00 0.99 C ATOM 1025 OH TYR A 69 -15.539 -3.085 -13.248 1.00 1.28 O ATOM 0 H TYR A 69 -9.467 -0.345 -13.473 1.00 0.45 H new ATOM 0 HA TYR A 69 -11.554 1.444 -12.363 1.00 0.42 H new ATOM 0 HB2 TYR A 69 -10.232 -0.908 -10.972 1.00 0.41 H new ATOM 0 HB3 TYR A 69 -11.308 0.258 -10.226 1.00 0.41 H new ATOM 0 HD1 TYR A 69 -11.088 -2.684 -12.422 1.00 1.94 H new ATOM 0 HD2 TYR A 69 -13.738 0.266 -10.756 1.00 1.67 H new ATOM 0 HE1 TYR A 69 -13.036 -3.887 -13.384 1.00 2.09 H new ATOM 0 HE2 TYR A 69 -15.682 -0.922 -11.742 1.00 1.70 H new ATOM 0 HH TYR A 69 -16.370 -2.775 -12.831 1.00 1.28 H new ATOM 1035 N HIS A 70 -9.663 2.366 -10.677 1.00 0.36 N ATOM 1036 CA HIS A 70 -8.577 3.089 -10.026 1.00 0.39 C ATOM 1037 C HIS A 70 -8.613 2.752 -8.538 1.00 0.50 C ATOM 1038 O HIS A 70 -9.613 2.229 -8.048 1.00 0.92 O ATOM 1039 CB HIS A 70 -8.717 4.604 -10.248 1.00 0.51 C ATOM 1040 CG HIS A 70 -8.019 5.119 -11.482 1.00 0.56 C ATOM 1041 ND1 HIS A 70 -8.558 5.973 -12.420 1.00 1.94 N ATOM 1042 CD2 HIS A 70 -6.681 5.001 -11.757 1.00 1.65 C ATOM 1043 CE1 HIS A 70 -7.566 6.342 -13.249 1.00 1.73 C ATOM 1044 NE2 HIS A 70 -6.404 5.780 -12.884 1.00 1.26 N ATOM 0 H HIS A 70 -10.556 2.459 -10.194 1.00 0.36 H new ATOM 0 HA HIS A 70 -7.620 2.790 -10.454 1.00 0.39 H new ATOM 0 HB2 HIS A 70 -9.776 4.853 -10.314 1.00 0.51 H new ATOM 0 HB3 HIS A 70 -8.320 5.125 -9.377 1.00 0.51 H new ATOM 0 HD2 HIS A 70 -5.967 4.411 -11.201 1.00 1.65 H new ATOM 0 HE1 HIS A 70 -7.688 7.002 -14.095 1.00 1.73 H new ATOM 0 HE2 HIS A 70 -5.498 5.898 -13.338 1.00 1.26 H new ATOM 1052 N VAL A 71 -7.522 3.053 -7.833 1.00 0.37 N ATOM 1053 CA VAL A 71 -7.366 2.861 -6.404 1.00 0.42 C ATOM 1054 C VAL A 71 -7.403 4.229 -5.722 1.00 0.51 C ATOM 1055 O VAL A 71 -6.886 5.205 -6.267 1.00 0.56 O ATOM 1056 CB VAL A 71 -6.058 2.094 -6.139 1.00 0.41 C ATOM 1057 CG1 VAL A 71 -6.165 0.657 -6.665 1.00 0.48 C ATOM 1058 CG2 VAL A 71 -4.814 2.760 -6.747 1.00 0.43 C ATOM 0 H VAL A 71 -6.691 3.454 -8.268 1.00 0.37 H new ATOM 0 HA VAL A 71 -8.178 2.263 -5.989 1.00 0.42 H new ATOM 0 HB VAL A 71 -5.927 2.100 -5.057 1.00 0.41 H new ATOM 0 HG11 VAL A 71 -5.232 0.128 -6.470 1.00 0.48 H new ATOM 0 HG12 VAL A 71 -6.985 0.145 -6.161 1.00 0.48 H new ATOM 0 HG13 VAL A 71 -6.354 0.676 -7.738 1.00 0.48 H new ATOM 0 HG21 VAL A 71 -3.932 2.161 -6.518 1.00 0.43 H new ATOM 0 HG22 VAL A 71 -4.932 2.833 -7.828 1.00 0.43 H new ATOM 0 HG23 VAL A 71 -4.694 3.759 -6.327 1.00 0.43 H new ATOM 1068 N VAL A 72 -8.017 4.319 -4.541 1.00 0.59 N ATOM 1069 CA VAL A 72 -8.030 5.545 -3.763 1.00 0.73 C ATOM 1070 C VAL A 72 -6.717 5.540 -2.989 1.00 0.83 C ATOM 1071 O VAL A 72 -6.633 5.021 -1.876 1.00 1.36 O ATOM 1072 CB VAL A 72 -9.262 5.573 -2.846 1.00 0.86 C ATOM 1073 CG1 VAL A 72 -9.296 6.841 -1.980 1.00 1.08 C ATOM 1074 CG2 VAL A 72 -10.558 5.500 -3.663 1.00 0.82 C ATOM 0 H VAL A 72 -8.515 3.544 -4.104 1.00 0.59 H new ATOM 0 HA VAL A 72 -8.104 6.442 -4.378 1.00 0.73 H new ATOM 0 HB VAL A 72 -9.187 4.701 -2.196 1.00 0.86 H new ATOM 0 HG11 VAL A 72 -10.182 6.824 -1.345 1.00 1.08 H new ATOM 0 HG12 VAL A 72 -8.403 6.880 -1.356 1.00 1.08 H new ATOM 0 HG13 VAL A 72 -9.327 7.720 -2.623 1.00 1.08 H new ATOM 0 HG21 VAL A 72 -11.415 5.522 -2.989 1.00 0.82 H new ATOM 0 HG22 VAL A 72 -10.609 6.351 -4.342 1.00 0.82 H new ATOM 0 HG23 VAL A 72 -10.573 4.575 -4.240 1.00 0.82 H new ATOM 1084 N THR A 73 -5.654 6.025 -3.627 1.00 0.62 N ATOM 1085 CA THR A 73 -4.313 5.926 -3.089 1.00 0.61 C ATOM 1086 C THR A 73 -3.500 7.111 -3.594 1.00 0.71 C ATOM 1087 O THR A 73 -3.532 7.393 -4.790 1.00 0.75 O ATOM 1088 CB THR A 73 -3.705 4.575 -3.495 1.00 0.57 C ATOM 1089 OG1 THR A 73 -4.672 3.545 -3.424 1.00 0.70 O ATOM 1090 CG2 THR A 73 -2.600 4.199 -2.521 1.00 0.67 C ATOM 0 H THR A 73 -5.705 6.496 -4.530 1.00 0.62 H new ATOM 0 HA THR A 73 -4.317 5.963 -2.000 1.00 0.61 H new ATOM 0 HB THR A 73 -3.329 4.677 -4.513 1.00 0.57 H new ATOM 0 HG1 THR A 73 -4.488 2.977 -2.647 1.00 0.70 H new ATOM 0 HG21 THR A 73 -2.170 3.240 -2.811 1.00 0.67 H new ATOM 0 HG22 THR A 73 -1.824 4.964 -2.538 1.00 0.67 H new ATOM 0 HG23 THR A 73 -3.012 4.122 -1.515 1.00 0.67 H new ATOM 1098 N GLU A 74 -2.819 7.815 -2.685 1.00 0.80 N ATOM 1099 CA GLU A 74 -2.120 9.056 -2.977 1.00 0.93 C ATOM 1100 C GLU A 74 -0.626 8.874 -2.752 1.00 0.77 C ATOM 1101 O GLU A 74 -0.216 8.330 -1.726 1.00 0.68 O ATOM 1102 CB GLU A 74 -2.659 10.185 -2.089 1.00 1.12 C ATOM 1103 CG GLU A 74 -4.012 10.706 -2.596 1.00 1.59 C ATOM 1104 CD GLU A 74 -3.907 11.457 -3.923 1.00 2.21 C ATOM 1105 OE1 GLU A 74 -2.762 11.691 -4.375 1.00 2.64 O ATOM 1106 OE2 GLU A 74 -4.987 11.789 -4.456 1.00 3.14 O ATOM 0 H GLU A 74 -2.741 7.527 -1.710 1.00 0.80 H new ATOM 0 HA GLU A 74 -2.288 9.323 -4.020 1.00 0.93 H new ATOM 0 HB2 GLU A 74 -2.768 9.824 -1.066 1.00 1.12 H new ATOM 0 HB3 GLU A 74 -1.940 11.004 -2.063 1.00 1.12 H new ATOM 0 HG2 GLU A 74 -4.697 9.866 -2.714 1.00 1.59 H new ATOM 0 HG3 GLU A 74 -4.445 11.367 -1.845 1.00 1.59 H new ATOM 1113 N LYS A 75 0.155 9.351 -3.725 1.00 0.81 N ATOM 1114 CA LYS A 75 1.609 9.385 -3.719 1.00 0.77 C ATOM 1115 C LYS A 75 2.079 10.638 -2.982 1.00 0.75 C ATOM 1116 O LYS A 75 2.385 11.656 -3.600 1.00 0.84 O ATOM 1117 CB LYS A 75 2.166 9.243 -5.148 1.00 0.93 C ATOM 1118 CG LYS A 75 1.774 10.361 -6.116 1.00 1.18 C ATOM 1119 CD LYS A 75 1.909 9.876 -7.566 1.00 1.47 C ATOM 1120 CE LYS A 75 1.334 10.896 -8.557 1.00 2.55 C ATOM 1121 NZ LYS A 75 1.993 12.217 -8.457 1.00 3.28 N ATOM 0 H LYS A 75 -0.237 9.743 -4.581 1.00 0.81 H new ATOM 0 HA LYS A 75 2.010 8.530 -3.174 1.00 0.77 H new ATOM 0 HB2 LYS A 75 3.254 9.197 -5.093 1.00 0.93 H new ATOM 0 HB3 LYS A 75 1.827 8.293 -5.560 1.00 0.93 H new ATOM 0 HG2 LYS A 75 0.748 10.676 -5.924 1.00 1.18 H new ATOM 0 HG3 LYS A 75 2.410 11.231 -5.955 1.00 1.18 H new ATOM 0 HD2 LYS A 75 2.960 9.698 -7.795 1.00 1.47 H new ATOM 0 HD3 LYS A 75 1.392 8.924 -7.682 1.00 1.47 H new ATOM 0 HE2 LYS A 75 1.445 10.514 -9.572 1.00 2.55 H new ATOM 0 HE3 LYS A 75 0.266 11.012 -8.375 1.00 2.55 H new ATOM 0 HZ1 LYS A 75 1.628 12.844 -9.202 1.00 3.28 H new ATOM 0 HZ2 LYS A 75 1.794 12.634 -7.525 1.00 3.28 H new ATOM 0 HZ3 LYS A 75 3.020 12.102 -8.573 1.00 3.28 H new ATOM 1135 N ALA A 76 2.124 10.568 -1.652 1.00 0.68 N ATOM 1136 CA ALA A 76 2.674 11.672 -0.864 1.00 0.62 C ATOM 1137 C ALA A 76 4.198 11.523 -0.788 1.00 0.57 C ATOM 1138 O ALA A 76 4.729 10.490 -1.198 1.00 0.81 O ATOM 1139 CB ALA A 76 1.998 11.727 0.512 1.00 0.61 C ATOM 0 H ALA A 76 1.793 9.774 -1.105 1.00 0.68 H new ATOM 0 HA ALA A 76 2.466 12.629 -1.343 1.00 0.62 H new ATOM 0 HB1 ALA A 76 2.415 12.552 1.090 1.00 0.61 H new ATOM 0 HB2 ALA A 76 0.926 11.878 0.385 1.00 0.61 H new ATOM 0 HB3 ALA A 76 2.172 10.790 1.041 1.00 0.61 H new ATOM 1145 N GLU A 77 4.908 12.527 -0.260 1.00 0.65 N ATOM 1146 CA GLU A 77 6.331 12.417 0.025 1.00 0.66 C ATOM 1147 C GLU A 77 6.621 12.906 1.438 1.00 0.62 C ATOM 1148 O GLU A 77 6.193 13.998 1.814 1.00 0.69 O ATOM 1149 CB GLU A 77 7.185 13.239 -0.936 1.00 0.73 C ATOM 1150 CG GLU A 77 7.068 12.917 -2.426 1.00 0.97 C ATOM 1151 CD GLU A 77 8.279 13.490 -3.151 1.00 1.39 C ATOM 1152 OE1 GLU A 77 8.399 14.738 -3.183 1.00 2.45 O ATOM 1153 OE2 GLU A 77 9.131 12.676 -3.559 1.00 2.07 O ATOM 0 H GLU A 77 4.507 13.434 -0.021 1.00 0.65 H new ATOM 0 HA GLU A 77 6.587 11.364 -0.090 1.00 0.66 H new ATOM 0 HB2 GLU A 77 6.933 14.290 -0.797 1.00 0.73 H new ATOM 0 HB3 GLU A 77 8.229 13.120 -0.646 1.00 0.73 H new ATOM 0 HG2 GLU A 77 7.015 11.839 -2.576 1.00 0.97 H new ATOM 0 HG3 GLU A 77 6.150 13.341 -2.832 1.00 0.97 H new ATOM 1160 N PHE A 78 7.400 12.124 2.186 1.00 0.55 N ATOM 1161 CA PHE A 78 7.861 12.473 3.516 1.00 0.51 C ATOM 1162 C PHE A 78 9.385 12.513 3.512 1.00 0.48 C ATOM 1163 O PHE A 78 10.035 11.690 2.877 1.00 0.63 O ATOM 1164 CB PHE A 78 7.308 11.472 4.542 1.00 0.60 C ATOM 1165 CG PHE A 78 5.792 11.425 4.687 1.00 0.50 C ATOM 1166 CD1 PHE A 78 4.986 12.539 4.372 1.00 1.63 C ATOM 1167 CD2 PHE A 78 5.173 10.238 5.123 1.00 1.84 C ATOM 1168 CE1 PHE A 78 3.592 12.406 4.286 1.00 1.68 C ATOM 1169 CE2 PHE A 78 3.771 10.130 5.115 1.00 2.00 C ATOM 1170 CZ PHE A 78 2.991 11.180 4.603 1.00 1.05 C ATOM 0 H PHE A 78 7.731 11.212 1.871 1.00 0.55 H new ATOM 0 HA PHE A 78 7.495 13.459 3.803 1.00 0.51 H new ATOM 0 HB2 PHE A 78 7.657 10.476 4.271 1.00 0.60 H new ATOM 0 HB3 PHE A 78 7.738 11.707 5.516 1.00 0.60 H new ATOM 0 HD1 PHE A 78 5.445 13.501 4.196 1.00 1.63 H new ATOM 0 HD2 PHE A 78 5.776 9.409 5.464 1.00 1.84 H new ATOM 0 HE1 PHE A 78 2.985 13.244 3.977 1.00 1.68 H new ATOM 0 HE2 PHE A 78 3.295 9.241 5.502 1.00 2.00 H new ATOM 0 HZ PHE A 78 1.930 11.043 4.454 1.00 1.05 H new ATOM 1180 N ASP A 79 9.948 13.491 4.210 1.00 0.46 N ATOM 1181 CA ASP A 79 11.372 13.664 4.424 1.00 0.44 C ATOM 1182 C ASP A 79 11.788 12.744 5.579 1.00 0.38 C ATOM 1183 O ASP A 79 10.918 12.298 6.327 1.00 0.51 O ATOM 1184 CB ASP A 79 11.598 15.159 4.696 1.00 0.52 C ATOM 1185 CG ASP A 79 12.950 15.447 5.320 1.00 0.78 C ATOM 1186 OD1 ASP A 79 13.935 14.957 4.738 1.00 1.42 O ATOM 1187 OD2 ASP A 79 12.960 16.152 6.351 1.00 2.29 O ATOM 0 H ASP A 79 9.394 14.218 4.662 1.00 0.46 H new ATOM 0 HA ASP A 79 11.988 13.386 3.569 1.00 0.44 H new ATOM 0 HB2 ASP A 79 11.510 15.711 3.760 1.00 0.52 H new ATOM 0 HB3 ASP A 79 10.813 15.526 5.357 1.00 0.52 H new ATOM 1192 N ILE A 80 13.062 12.362 5.697 1.00 0.41 N ATOM 1193 CA ILE A 80 13.513 11.428 6.723 1.00 0.41 C ATOM 1194 C ILE A 80 14.688 12.032 7.488 1.00 0.46 C ATOM 1195 O ILE A 80 15.603 12.574 6.876 1.00 0.69 O ATOM 1196 CB ILE A 80 13.947 10.105 6.085 1.00 0.47 C ATOM 1197 CG1 ILE A 80 12.929 9.541 5.088 1.00 0.36 C ATOM 1198 CG2 ILE A 80 14.203 9.073 7.191 1.00 0.62 C ATOM 1199 CD1 ILE A 80 13.647 8.633 4.105 1.00 0.73 C ATOM 0 H ILE A 80 13.806 12.693 5.083 1.00 0.41 H new ATOM 0 HA ILE A 80 12.688 11.237 7.409 1.00 0.41 H new ATOM 0 HB ILE A 80 14.855 10.311 5.519 1.00 0.47 H new ATOM 0 HG12 ILE A 80 12.154 8.986 5.616 1.00 0.36 H new ATOM 0 HG13 ILE A 80 12.433 10.353 4.557 1.00 0.36 H new ATOM 0 HG21 ILE A 80 14.512 8.129 6.743 1.00 0.62 H new ATOM 0 HG22 ILE A 80 14.990 9.436 7.852 1.00 0.62 H new ATOM 0 HG23 ILE A 80 13.289 8.920 7.765 1.00 0.62 H new ATOM 0 HD11 ILE A 80 12.929 8.228 3.392 1.00 0.73 H new ATOM 0 HD12 ILE A 80 14.406 9.204 3.570 1.00 0.73 H new ATOM 0 HD13 ILE A 80 14.122 7.815 4.646 1.00 0.73 H new ATOM 1211 N GLU A 81 14.706 11.872 8.816 1.00 0.49 N ATOM 1212 CA GLU A 81 15.844 12.279 9.635 1.00 0.61 C ATOM 1213 C GLU A 81 16.625 11.064 10.139 1.00 1.00 C ATOM 1214 O GLU A 81 16.047 10.085 10.610 1.00 1.93 O ATOM 1215 CB GLU A 81 15.360 13.169 10.782 1.00 0.98 C ATOM 1216 CG GLU A 81 14.881 14.518 10.231 1.00 1.19 C ATOM 1217 CD GLU A 81 14.163 15.376 11.272 1.00 1.59 C ATOM 1218 OE1 GLU A 81 13.322 14.808 12.001 1.00 3.14 O ATOM 1219 OE2 GLU A 81 14.427 16.597 11.304 1.00 1.82 O ATOM 0 H GLU A 81 13.938 11.460 9.346 1.00 0.49 H new ATOM 0 HA GLU A 81 16.535 12.859 9.023 1.00 0.61 H new ATOM 0 HB2 GLU A 81 14.549 12.677 11.318 1.00 0.98 H new ATOM 0 HB3 GLU A 81 16.167 13.325 11.498 1.00 0.98 H new ATOM 0 HG2 GLU A 81 15.738 15.070 9.844 1.00 1.19 H new ATOM 0 HG3 GLU A 81 14.210 14.342 9.390 1.00 1.19 H new ATOM 1226 N GLY A 82 17.955 11.149 10.035 1.00 1.42 N ATOM 1227 CA GLY A 82 18.909 10.138 10.447 1.00 2.02 C ATOM 1228 C GLY A 82 19.409 9.393 9.217 1.00 2.01 C ATOM 1229 O GLY A 82 20.467 9.709 8.682 1.00 3.33 O ATOM 0 H GLY A 82 18.410 11.972 9.639 1.00 1.42 H new ATOM 0 HA2 GLY A 82 19.745 10.601 10.971 1.00 2.02 H new ATOM 0 HA3 GLY A 82 18.442 9.442 11.144 1.00 2.02 H new ATOM 1233 N MET A 83 18.631 8.408 8.763 1.00 0.94 N ATOM 1234 CA MET A 83 19.014 7.473 7.712 1.00 1.04 C ATOM 1235 C MET A 83 20.445 6.961 7.974 1.00 1.33 C ATOM 1236 O MET A 83 20.783 6.660 9.116 1.00 2.57 O ATOM 1237 CB MET A 83 18.849 8.102 6.320 1.00 1.53 C ATOM 1238 CG MET A 83 17.491 8.759 6.087 1.00 1.75 C ATOM 1239 SD MET A 83 17.598 10.303 5.162 1.00 2.95 S ATOM 1240 CE MET A 83 18.443 11.346 6.377 1.00 4.23 C ATOM 0 H MET A 83 17.694 8.237 9.128 1.00 0.94 H new ATOM 0 HA MET A 83 18.346 6.612 7.730 1.00 1.04 H new ATOM 0 HB2 MET A 83 19.630 8.848 6.176 1.00 1.53 H new ATOM 0 HB3 MET A 83 19.001 7.331 5.565 1.00 1.53 H new ATOM 0 HG2 MET A 83 16.846 8.064 5.549 1.00 1.75 H new ATOM 0 HG3 MET A 83 17.018 8.952 7.050 1.00 1.75 H new ATOM 0 HE1 MET A 83 18.236 12.395 6.163 1.00 4.23 H new ATOM 0 HE2 MET A 83 18.086 11.102 7.377 1.00 4.23 H new ATOM 0 HE3 MET A 83 19.517 11.170 6.323 1.00 4.23 H new ATOM 1285 N ALA A 87 21.186 0.242 7.850 1.00 1.56 N ATOM 1286 CA ALA A 87 20.067 0.059 6.938 1.00 0.99 C ATOM 1287 C ALA A 87 18.844 0.855 7.404 1.00 0.69 C ATOM 1288 O ALA A 87 17.759 0.293 7.456 1.00 0.73 O ATOM 1289 CB ALA A 87 19.734 -1.444 6.859 1.00 1.74 C ATOM 0 HA ALA A 87 20.342 0.429 5.950 1.00 0.99 H new ATOM 0 HB1 ALA A 87 18.896 -1.596 6.178 1.00 1.74 H new ATOM 0 HB2 ALA A 87 20.603 -1.990 6.493 1.00 1.74 H new ATOM 0 HB3 ALA A 87 19.467 -1.810 7.850 1.00 1.74 H new ATOM 1295 N CYS A 88 18.955 2.142 7.750 1.00 0.64 N ATOM 1296 CA CYS A 88 17.812 2.862 8.299 1.00 0.63 C ATOM 1297 C CYS A 88 16.722 3.028 7.239 1.00 0.59 C ATOM 1298 O CYS A 88 15.598 2.562 7.419 1.00 0.57 O ATOM 1299 CB CYS A 88 18.293 4.223 8.801 1.00 0.90 C ATOM 1300 SG CYS A 88 19.309 4.048 10.282 1.00 0.81 S ATOM 0 H CYS A 88 19.808 2.693 7.661 1.00 0.64 H new ATOM 0 HA CYS A 88 17.381 2.298 9.126 1.00 0.63 H new ATOM 0 HB2 CYS A 88 18.867 4.720 8.019 1.00 0.90 H new ATOM 0 HB3 CYS A 88 17.434 4.858 9.018 1.00 0.90 H new ATOM 0 HG CYS A 88 18.543 4.016 11.332 1.00 0.81 H new ATOM 1306 N ALA A 89 17.054 3.666 6.112 1.00 0.61 N ATOM 1307 CA ALA A 89 16.103 3.852 5.021 1.00 0.58 C ATOM 1308 C ALA A 89 15.607 2.498 4.509 1.00 0.56 C ATOM 1309 O ALA A 89 14.454 2.352 4.129 1.00 0.59 O ATOM 1310 CB ALA A 89 16.730 4.665 3.888 1.00 0.68 C ATOM 0 H ALA A 89 17.977 4.062 5.935 1.00 0.61 H new ATOM 0 HA ALA A 89 15.247 4.410 5.401 1.00 0.58 H new ATOM 0 HB1 ALA A 89 16.003 4.791 3.085 1.00 0.68 H new ATOM 0 HB2 ALA A 89 17.029 5.643 4.264 1.00 0.68 H new ATOM 0 HB3 ALA A 89 17.606 4.141 3.505 1.00 0.68 H new ATOM 1316 N ASN A 90 16.464 1.480 4.527 1.00 0.58 N ATOM 1317 CA ASN A 90 16.065 0.138 4.123 1.00 0.61 C ATOM 1318 C ASN A 90 15.040 -0.431 5.109 1.00 0.59 C ATOM 1319 O ASN A 90 14.009 -0.961 4.706 1.00 0.64 O ATOM 1320 CB ASN A 90 17.295 -0.767 3.980 1.00 0.73 C ATOM 1321 CG ASN A 90 17.803 -0.805 2.542 1.00 1.05 C ATOM 1322 OD1 ASN A 90 17.973 0.231 1.912 1.00 1.82 O ATOM 1323 ND2 ASN A 90 18.058 -1.998 2.010 1.00 2.00 N ATOM 0 H ASN A 90 17.438 1.561 4.817 1.00 0.58 H new ATOM 0 HA ASN A 90 15.585 0.186 3.146 1.00 0.61 H new ATOM 0 HB2 ASN A 90 18.088 -0.410 4.637 1.00 0.73 H new ATOM 0 HB3 ASN A 90 17.043 -1.777 4.304 1.00 0.73 H new ATOM 0 HD21 ASN A 90 18.405 -2.066 1.053 1.00 2.00 H new ATOM 0 HD22 ASN A 90 17.907 -2.844 2.559 1.00 2.00 H new ATOM 1330 N ARG A 91 15.303 -0.321 6.410 1.00 0.57 N ATOM 1331 CA ARG A 91 14.379 -0.748 7.451 1.00 0.61 C ATOM 1332 C ARG A 91 13.031 -0.052 7.267 1.00 0.57 C ATOM 1333 O ARG A 91 11.998 -0.716 7.171 1.00 0.60 O ATOM 1334 CB ARG A 91 14.978 -0.459 8.837 1.00 0.69 C ATOM 1335 CG ARG A 91 15.921 -1.576 9.301 1.00 1.04 C ATOM 1336 CD ARG A 91 16.338 -1.329 10.760 1.00 1.99 C ATOM 1337 NE ARG A 91 17.710 -1.779 11.048 1.00 2.91 N ATOM 1338 CZ ARG A 91 18.137 -3.051 11.087 1.00 3.19 C ATOM 1339 NH1 ARG A 91 17.289 -4.047 10.813 1.00 3.24 N ATOM 1340 NH2 ARG A 91 19.410 -3.320 11.400 1.00 4.40 N ATOM 0 H ARG A 91 16.173 0.071 6.771 1.00 0.57 H new ATOM 0 HA ARG A 91 14.216 -1.823 7.375 1.00 0.61 H new ATOM 0 HB2 ARG A 91 15.522 0.485 8.807 1.00 0.69 H new ATOM 0 HB3 ARG A 91 14.173 -0.340 9.562 1.00 0.69 H new ATOM 0 HG2 ARG A 91 15.426 -2.543 9.213 1.00 1.04 H new ATOM 0 HG3 ARG A 91 16.803 -1.610 8.661 1.00 1.04 H new ATOM 0 HD2 ARG A 91 16.256 -0.265 10.981 1.00 1.99 H new ATOM 0 HD3 ARG A 91 15.645 -1.846 11.423 1.00 1.99 H new ATOM 0 HE ARG A 91 18.403 -1.054 11.236 1.00 2.91 H new ATOM 0 HH11 ARG A 91 16.319 -3.840 10.575 1.00 3.24 H new ATOM 0 HH12 ARG A 91 17.612 -5.014 10.842 1.00 3.24 H new ATOM 0 HH21 ARG A 91 20.056 -2.559 11.609 1.00 4.40 H new ATOM 0 HH22 ARG A 91 19.735 -4.287 11.430 1.00 4.40 H new ATOM 1354 N ILE A 92 13.032 1.282 7.206 1.00 0.54 N ATOM 1355 CA ILE A 92 11.779 2.000 7.019 1.00 0.52 C ATOM 1356 C ILE A 92 11.131 1.659 5.672 1.00 0.52 C ATOM 1357 O ILE A 92 9.912 1.542 5.628 1.00 0.53 O ATOM 1358 CB ILE A 92 11.889 3.507 7.302 1.00 0.58 C ATOM 1359 CG1 ILE A 92 12.988 4.217 6.527 1.00 1.29 C ATOM 1360 CG2 ILE A 92 12.012 3.767 8.801 1.00 1.73 C ATOM 1361 CD1 ILE A 92 12.484 5.513 5.893 1.00 1.54 C ATOM 0 H ILE A 92 13.863 1.869 7.281 1.00 0.54 H new ATOM 0 HA ILE A 92 11.090 1.642 7.784 1.00 0.52 H new ATOM 0 HB ILE A 92 10.959 3.943 6.936 1.00 0.58 H new ATOM 0 HG12 ILE A 92 13.820 4.438 7.195 1.00 1.29 H new ATOM 0 HG13 ILE A 92 13.371 3.556 5.749 1.00 1.29 H new ATOM 0 HG21 ILE A 92 12.089 4.840 8.979 1.00 1.73 H new ATOM 0 HG22 ILE A 92 11.132 3.376 9.311 1.00 1.73 H new ATOM 0 HG23 ILE A 92 12.904 3.271 9.184 1.00 1.73 H new ATOM 0 HD11 ILE A 92 13.297 5.992 5.348 1.00 1.54 H new ATOM 0 HD12 ILE A 92 11.669 5.289 5.205 1.00 1.54 H new ATOM 0 HD13 ILE A 92 12.126 6.184 6.673 1.00 1.54 H new ATOM 1373 N GLU A 93 11.904 1.427 4.603 1.00 0.53 N ATOM 1374 CA GLU A 93 11.391 1.022 3.310 1.00 0.54 C ATOM 1375 C GLU A 93 10.590 -0.251 3.507 1.00 0.53 C ATOM 1376 O GLU A 93 9.385 -0.235 3.289 1.00 0.55 O ATOM 1377 CB GLU A 93 12.539 0.779 2.315 1.00 0.60 C ATOM 1378 CG GLU A 93 12.028 0.368 0.933 1.00 0.65 C ATOM 1379 CD GLU A 93 12.901 -0.718 0.319 1.00 1.09 C ATOM 1380 OE1 GLU A 93 12.592 -1.904 0.572 1.00 1.72 O ATOM 1381 OE2 GLU A 93 13.897 -0.371 -0.343 1.00 2.21 O ATOM 0 H GLU A 93 12.920 1.520 4.624 1.00 0.53 H new ATOM 0 HA GLU A 93 10.762 1.811 2.897 1.00 0.54 H new ATOM 0 HB2 GLU A 93 13.137 1.686 2.225 1.00 0.60 H new ATOM 0 HB3 GLU A 93 13.196 0.001 2.704 1.00 0.60 H new ATOM 0 HG2 GLU A 93 11.002 0.009 1.015 1.00 0.65 H new ATOM 0 HG3 GLU A 93 12.011 1.238 0.276 1.00 0.65 H new ATOM 1388 N LYS A 94 11.248 -1.334 3.942 1.00 0.56 N ATOM 1389 CA LYS A 94 10.607 -2.635 4.090 1.00 0.58 C ATOM 1390 C LYS A 94 9.334 -2.513 4.924 1.00 0.57 C ATOM 1391 O LYS A 94 8.371 -3.236 4.675 1.00 0.68 O ATOM 1392 CB LYS A 94 11.558 -3.674 4.714 1.00 0.60 C ATOM 1393 CG LYS A 94 12.451 -4.394 3.690 1.00 0.74 C ATOM 1394 CD LYS A 94 13.657 -3.546 3.269 1.00 1.68 C ATOM 1395 CE LYS A 94 14.510 -4.200 2.173 1.00 2.09 C ATOM 1396 NZ LYS A 94 13.833 -4.172 0.861 1.00 2.79 N ATOM 0 H LYS A 94 12.235 -1.327 4.199 1.00 0.56 H new ATOM 0 HA LYS A 94 10.345 -2.985 3.092 1.00 0.58 H new ATOM 0 HB2 LYS A 94 12.192 -3.177 5.449 1.00 0.60 H new ATOM 0 HB3 LYS A 94 10.968 -4.416 5.252 1.00 0.60 H new ATOM 0 HG2 LYS A 94 12.802 -5.334 4.115 1.00 0.74 H new ATOM 0 HG3 LYS A 94 11.860 -4.644 2.809 1.00 0.74 H new ATOM 0 HD2 LYS A 94 13.305 -2.577 2.915 1.00 1.68 H new ATOM 0 HD3 LYS A 94 14.282 -3.358 4.142 1.00 1.68 H new ATOM 0 HE2 LYS A 94 15.466 -3.682 2.100 1.00 2.09 H new ATOM 0 HE3 LYS A 94 14.726 -5.232 2.448 1.00 2.09 H new ATOM 0 HZ1 LYS A 94 14.480 -4.530 0.129 1.00 2.79 H new ATOM 0 HZ2 LYS A 94 12.984 -4.771 0.896 1.00 2.79 H new ATOM 0 HZ3 LYS A 94 13.558 -3.195 0.633 1.00 2.79 H new ATOM 1410 N ARG A 95 9.329 -1.606 5.906 1.00 0.49 N ATOM 1411 CA ARG A 95 8.137 -1.377 6.706 1.00 0.45 C ATOM 1412 C ARG A 95 7.065 -0.667 5.874 1.00 0.39 C ATOM 1413 O ARG A 95 6.053 -1.275 5.518 1.00 0.43 O ATOM 1414 CB ARG A 95 8.514 -0.620 7.986 1.00 0.48 C ATOM 1415 CG ARG A 95 9.334 -1.511 8.927 1.00 0.93 C ATOM 1416 CD ARG A 95 8.420 -2.415 9.765 1.00 0.92 C ATOM 1417 NE ARG A 95 9.197 -3.425 10.500 1.00 1.53 N ATOM 1418 CZ ARG A 95 8.656 -4.441 11.193 1.00 1.86 C ATOM 1419 NH1 ARG A 95 7.329 -4.520 11.332 1.00 2.38 N ATOM 1420 NH2 ARG A 95 9.445 -5.374 11.737 1.00 2.74 N ATOM 0 H ARG A 95 10.130 -1.028 6.159 1.00 0.49 H new ATOM 0 HA ARG A 95 7.702 -2.328 7.014 1.00 0.45 H new ATOM 0 HB2 ARG A 95 9.088 0.271 7.731 1.00 0.48 H new ATOM 0 HB3 ARG A 95 7.610 -0.283 8.494 1.00 0.48 H new ATOM 0 HG2 ARG A 95 10.023 -2.124 8.345 1.00 0.93 H new ATOM 0 HG3 ARG A 95 9.940 -0.889 9.586 1.00 0.93 H new ATOM 0 HD2 ARG A 95 7.850 -1.808 10.469 1.00 0.92 H new ATOM 0 HD3 ARG A 95 7.699 -2.910 9.115 1.00 0.92 H new ATOM 0 HE ARG A 95 10.214 -3.349 10.482 1.00 1.53 H new ATOM 0 HH11 ARG A 95 6.729 -3.810 10.912 1.00 2.38 H new ATOM 0 HH12 ARG A 95 6.916 -5.291 11.858 1.00 2.38 H new ATOM 0 HH21 ARG A 95 10.457 -5.314 11.626 1.00 2.74 H new ATOM 0 HH22 ARG A 95 9.035 -6.145 12.263 1.00 2.74 H new ATOM 1434 N LEU A 96 7.302 0.612 5.557 1.00 0.35 N ATOM 1435 CA LEU A 96 6.408 1.476 4.790 1.00 0.36 C ATOM 1436 C LEU A 96 5.801 0.727 3.607 1.00 0.36 C ATOM 1437 O LEU A 96 4.591 0.796 3.418 1.00 0.37 O ATOM 1438 CB LEU A 96 7.125 2.752 4.339 1.00 0.41 C ATOM 1439 CG LEU A 96 7.079 3.845 5.424 1.00 0.57 C ATOM 1440 CD1 LEU A 96 8.433 4.532 5.534 1.00 0.80 C ATOM 1441 CD2 LEU A 96 6.009 4.891 5.089 1.00 1.72 C ATOM 0 H LEU A 96 8.158 1.089 5.841 1.00 0.35 H new ATOM 0 HA LEU A 96 5.589 1.775 5.444 1.00 0.36 H new ATOM 0 HB2 LEU A 96 8.163 2.521 4.099 1.00 0.41 H new ATOM 0 HB3 LEU A 96 6.662 3.126 3.426 1.00 0.41 H new ATOM 0 HG LEU A 96 6.832 3.371 6.374 1.00 0.57 H new ATOM 0 HD11 LEU A 96 8.389 5.302 6.304 1.00 0.80 H new ATOM 0 HD12 LEU A 96 9.193 3.797 5.799 1.00 0.80 H new ATOM 0 HD13 LEU A 96 8.688 4.989 4.578 1.00 0.80 H new ATOM 0 HD21 LEU A 96 5.991 5.655 5.866 1.00 1.72 H new ATOM 0 HD22 LEU A 96 6.241 5.354 4.130 1.00 1.72 H new ATOM 0 HD23 LEU A 96 5.033 4.408 5.032 1.00 1.72 H new ATOM 1453 N ASN A 97 6.637 -0.019 2.870 1.00 0.43 N ATOM 1454 CA ASN A 97 6.297 -0.868 1.730 1.00 0.53 C ATOM 1455 C ASN A 97 4.879 -1.433 1.828 1.00 0.55 C ATOM 1456 O ASN A 97 4.144 -1.418 0.844 1.00 0.60 O ATOM 1457 CB ASN A 97 7.309 -2.027 1.615 1.00 0.67 C ATOM 1458 CG ASN A 97 7.503 -2.531 0.188 1.00 0.86 C ATOM 1459 OD1 ASN A 97 6.980 -3.572 -0.199 1.00 1.24 O ATOM 1460 ND2 ASN A 97 8.323 -1.829 -0.588 1.00 1.18 N ATOM 0 H ASN A 97 7.636 -0.043 3.073 1.00 0.43 H new ATOM 0 HA ASN A 97 6.342 -0.243 0.838 1.00 0.53 H new ATOM 0 HB2 ASN A 97 8.271 -1.699 2.009 1.00 0.67 H new ATOM 0 HB3 ASN A 97 6.974 -2.854 2.241 1.00 0.67 H new ATOM 0 HD21 ASN A 97 8.532 -2.152 -1.533 1.00 1.18 H new ATOM 0 HD22 ASN A 97 8.743 -0.967 -0.239 1.00 1.18 H new ATOM 1467 N LYS A 98 4.517 -1.973 2.999 1.00 0.55 N ATOM 1468 CA LYS A 98 3.173 -2.469 3.270 1.00 0.58 C ATOM 1469 C LYS A 98 2.913 -2.464 4.781 1.00 0.59 C ATOM 1470 O LYS A 98 2.809 -3.527 5.388 1.00 0.72 O ATOM 1471 CB LYS A 98 2.922 -3.849 2.613 1.00 0.66 C ATOM 1472 CG LYS A 98 4.081 -4.845 2.821 1.00 0.87 C ATOM 1473 CD LYS A 98 5.050 -4.846 1.627 1.00 2.78 C ATOM 1474 CE LYS A 98 4.708 -5.800 0.473 1.00 4.18 C ATOM 1475 NZ LYS A 98 5.586 -6.988 0.464 1.00 4.80 N ATOM 0 H LYS A 98 5.157 -2.076 3.786 1.00 0.55 H new ATOM 0 HA LYS A 98 2.449 -1.797 2.809 1.00 0.58 H new ATOM 0 HB2 LYS A 98 2.007 -4.277 3.022 1.00 0.66 H new ATOM 0 HB3 LYS A 98 2.759 -3.710 1.544 1.00 0.66 H new ATOM 0 HG2 LYS A 98 4.624 -4.587 3.730 1.00 0.87 H new ATOM 0 HG3 LYS A 98 3.678 -5.848 2.964 1.00 0.87 H new ATOM 0 HD2 LYS A 98 5.103 -3.833 1.229 1.00 2.78 H new ATOM 0 HD3 LYS A 98 6.045 -5.097 1.994 1.00 2.78 H new ATOM 0 HE2 LYS A 98 3.669 -6.117 0.559 1.00 4.18 H new ATOM 0 HE3 LYS A 98 4.802 -5.271 -0.476 1.00 4.18 H new ATOM 0 HZ1 LYS A 98 5.324 -7.607 -0.329 1.00 4.80 H new ATOM 0 HZ2 LYS A 98 6.576 -6.687 0.356 1.00 4.80 H new ATOM 0 HZ3 LYS A 98 5.477 -7.507 1.359 1.00 4.80 H new ATOM 1489 N ILE A 99 2.797 -1.273 5.383 1.00 0.55 N ATOM 1490 CA ILE A 99 2.359 -1.141 6.776 1.00 0.63 C ATOM 1491 C ILE A 99 0.930 -1.675 6.908 1.00 0.72 C ATOM 1492 O ILE A 99 0.691 -2.628 7.643 1.00 1.10 O ATOM 1493 CB ILE A 99 2.466 0.327 7.247 1.00 0.61 C ATOM 1494 CG1 ILE A 99 3.930 0.747 7.433 1.00 0.66 C ATOM 1495 CG2 ILE A 99 1.677 0.611 8.534 1.00 0.73 C ATOM 1496 CD1 ILE A 99 4.594 0.247 8.720 1.00 1.37 C ATOM 0 H ILE A 99 3.001 -0.385 4.924 1.00 0.55 H new ATOM 0 HA ILE A 99 3.011 -1.730 7.421 1.00 0.63 H new ATOM 0 HB ILE A 99 2.016 0.923 6.453 1.00 0.61 H new ATOM 0 HG12 ILE A 99 4.506 0.385 6.582 1.00 0.66 H new ATOM 0 HG13 ILE A 99 3.984 1.835 7.415 1.00 0.66 H new ATOM 0 HG21 ILE A 99 1.795 1.659 8.809 1.00 0.73 H new ATOM 0 HG22 ILE A 99 0.621 0.396 8.369 1.00 0.73 H new ATOM 0 HG23 ILE A 99 2.054 -0.020 9.339 1.00 0.73 H new ATOM 0 HD11 ILE A 99 5.626 0.597 8.757 1.00 1.37 H new ATOM 0 HD12 ILE A 99 4.050 0.630 9.583 1.00 1.37 H new ATOM 0 HD13 ILE A 99 4.580 -0.843 8.737 1.00 1.37 H new ATOM 1508 N GLU A 100 0.000 -1.039 6.190 1.00 0.60 N ATOM 1509 CA GLU A 100 -1.410 -1.395 6.134 1.00 0.61 C ATOM 1510 C GLU A 100 -1.904 -1.060 4.722 1.00 0.59 C ATOM 1511 O GLU A 100 -1.507 -1.724 3.762 1.00 0.87 O ATOM 1512 CB GLU A 100 -2.179 -0.706 7.290 1.00 0.69 C ATOM 1513 CG GLU A 100 -2.626 -1.715 8.352 1.00 0.87 C ATOM 1514 CD GLU A 100 -3.898 -2.437 7.911 1.00 2.19 C ATOM 1515 OE1 GLU A 100 -3.925 -2.885 6.744 1.00 3.76 O ATOM 1516 OE2 GLU A 100 -4.838 -2.476 8.733 1.00 2.94 O ATOM 0 H GLU A 100 0.224 -0.230 5.610 1.00 0.60 H new ATOM 0 HA GLU A 100 -1.586 -2.459 6.294 1.00 0.61 H new ATOM 0 HB2 GLU A 100 -1.543 0.050 7.751 1.00 0.69 H new ATOM 0 HB3 GLU A 100 -3.051 -0.188 6.890 1.00 0.69 H new ATOM 0 HG2 GLU A 100 -1.832 -2.441 8.527 1.00 0.87 H new ATOM 0 HG3 GLU A 100 -2.803 -1.201 9.297 1.00 0.87 H new ATOM 1523 N GLY A 101 -2.672 0.019 4.542 1.00 0.54 N ATOM 1524 CA GLY A 101 -3.217 0.396 3.249 1.00 0.56 C ATOM 1525 C GLY A 101 -2.192 1.188 2.448 1.00 0.56 C ATOM 1526 O GLY A 101 -2.479 2.298 2.004 1.00 0.73 O ATOM 0 H GLY A 101 -2.930 0.654 5.298 1.00 0.54 H new ATOM 0 HA2 GLY A 101 -3.508 -0.497 2.696 1.00 0.56 H new ATOM 0 HA3 GLY A 101 -4.119 0.993 3.388 1.00 0.56 H new ATOM 1530 N VAL A 102 -0.998 0.617 2.278 1.00 0.50 N ATOM 1531 CA VAL A 102 0.088 1.191 1.500 1.00 0.47 C ATOM 1532 C VAL A 102 0.244 0.364 0.234 1.00 0.50 C ATOM 1533 O VAL A 102 0.351 -0.860 0.294 1.00 0.53 O ATOM 1534 CB VAL A 102 1.389 1.280 2.316 1.00 0.42 C ATOM 1535 CG1 VAL A 102 2.412 2.118 1.537 1.00 0.44 C ATOM 1536 CG2 VAL A 102 1.155 1.919 3.691 1.00 0.42 C ATOM 0 H VAL A 102 -0.759 -0.284 2.692 1.00 0.50 H new ATOM 0 HA VAL A 102 -0.147 2.220 1.228 1.00 0.47 H new ATOM 0 HB VAL A 102 1.760 0.268 2.475 1.00 0.42 H new ATOM 0 HG11 VAL A 102 3.338 2.186 2.109 1.00 0.44 H new ATOM 0 HG12 VAL A 102 2.613 1.645 0.576 1.00 0.44 H new ATOM 0 HG13 VAL A 102 2.013 3.119 1.372 1.00 0.44 H new ATOM 0 HG21 VAL A 102 2.098 1.964 4.237 1.00 0.42 H new ATOM 0 HG22 VAL A 102 0.762 2.928 3.561 1.00 0.42 H new ATOM 0 HG23 VAL A 102 0.438 1.320 4.253 1.00 0.42 H new ATOM 1546 N ALA A 103 0.230 1.044 -0.913 1.00 0.52 N ATOM 1547 CA ALA A 103 0.506 0.438 -2.196 1.00 0.56 C ATOM 1548 C ALA A 103 2.013 0.267 -2.345 1.00 0.55 C ATOM 1549 O ALA A 103 2.482 -0.833 -2.629 1.00 0.57 O ATOM 1550 CB ALA A 103 -0.052 1.316 -3.315 1.00 0.64 C ATOM 0 H ALA A 103 0.023 2.041 -0.967 1.00 0.52 H new ATOM 0 HA ALA A 103 0.027 -0.539 -2.260 1.00 0.56 H new ATOM 0 HB1 ALA A 103 0.159 0.854 -4.279 1.00 0.64 H new ATOM 0 HB2 ALA A 103 -1.130 1.422 -3.191 1.00 0.64 H new ATOM 0 HB3 ALA A 103 0.416 2.299 -3.274 1.00 0.64 H new ATOM 1556 N ASN A 104 2.763 1.360 -2.160 1.00 0.53 N ATOM 1557 CA ASN A 104 4.209 1.376 -2.374 1.00 0.55 C ATOM 1558 C ASN A 104 4.853 2.426 -1.484 1.00 0.51 C ATOM 1559 O ASN A 104 4.178 3.312 -0.961 1.00 0.51 O ATOM 1560 CB ASN A 104 4.582 1.696 -3.833 1.00 0.60 C ATOM 1561 CG ASN A 104 4.003 0.713 -4.838 1.00 0.64 C ATOM 1562 OD1 ASN A 104 4.446 -0.429 -4.924 1.00 0.72 O ATOM 1563 ND2 ASN A 104 3.025 1.151 -5.616 1.00 0.66 N ATOM 0 H ASN A 104 2.381 2.256 -1.858 1.00 0.53 H new ATOM 0 HA ASN A 104 4.572 0.377 -2.131 1.00 0.55 H new ATOM 0 HB2 ASN A 104 4.234 2.700 -4.077 1.00 0.60 H new ATOM 0 HB3 ASN A 104 5.668 1.704 -3.929 1.00 0.60 H new ATOM 0 HD21 ASN A 104 2.614 0.533 -6.316 1.00 0.66 H new ATOM 0 HD22 ASN A 104 2.683 2.107 -5.516 1.00 0.66 H new ATOM 1570 N ALA A 105 6.180 2.347 -1.359 1.00 0.49 N ATOM 1571 CA ALA A 105 6.951 3.333 -0.614 1.00 0.48 C ATOM 1572 C ALA A 105 8.438 3.345 -1.000 1.00 0.51 C ATOM 1573 O ALA A 105 9.269 2.897 -0.211 1.00 0.52 O ATOM 1574 CB ALA A 105 6.786 3.097 0.890 1.00 0.49 C ATOM 0 H ALA A 105 6.743 1.602 -1.770 1.00 0.49 H new ATOM 0 HA ALA A 105 6.556 4.315 -0.876 1.00 0.48 H new ATOM 0 HB1 ALA A 105 7.366 3.838 1.440 1.00 0.49 H new ATOM 0 HB2 ALA A 105 5.734 3.186 1.159 1.00 0.49 H new ATOM 0 HB3 ALA A 105 7.141 2.098 1.143 1.00 0.49 H new ATOM 1580 N PRO A 106 8.807 3.826 -2.198 1.00 0.55 N ATOM 1581 CA PRO A 106 10.202 3.889 -2.600 1.00 0.60 C ATOM 1582 C PRO A 106 10.938 4.997 -1.830 1.00 0.57 C ATOM 1583 O PRO A 106 10.516 6.157 -1.826 1.00 0.64 O ATOM 1584 CB PRO A 106 10.184 4.113 -4.114 1.00 0.66 C ATOM 1585 CG PRO A 106 8.850 4.815 -4.367 1.00 0.63 C ATOM 1586 CD PRO A 106 7.929 4.280 -3.265 1.00 0.58 C ATOM 0 HA PRO A 106 10.748 2.976 -2.365 1.00 0.60 H new ATOM 0 HB2 PRO A 106 11.025 4.726 -4.437 1.00 0.66 H new ATOM 0 HB3 PRO A 106 10.249 3.171 -4.658 1.00 0.66 H new ATOM 0 HG2 PRO A 106 8.953 5.899 -4.309 1.00 0.63 H new ATOM 0 HG3 PRO A 106 8.460 4.584 -5.359 1.00 0.63 H new ATOM 0 HD2 PRO A 106 7.252 5.057 -2.910 1.00 0.58 H new ATOM 0 HD3 PRO A 106 7.310 3.463 -3.636 1.00 0.58 H new ATOM 1594 N VAL A 107 12.044 4.622 -1.175 1.00 0.54 N ATOM 1595 CA VAL A 107 12.926 5.525 -0.446 1.00 0.53 C ATOM 1596 C VAL A 107 14.004 6.083 -1.382 1.00 0.62 C ATOM 1597 O VAL A 107 14.407 5.407 -2.327 1.00 0.76 O ATOM 1598 CB VAL A 107 13.543 4.811 0.775 1.00 0.55 C ATOM 1599 CG1 VAL A 107 12.451 4.293 1.720 1.00 1.50 C ATOM 1600 CG2 VAL A 107 14.472 3.648 0.399 1.00 1.70 C ATOM 0 H VAL A 107 12.354 3.651 -1.140 1.00 0.54 H new ATOM 0 HA VAL A 107 12.343 6.366 -0.072 1.00 0.53 H new ATOM 0 HB VAL A 107 14.148 5.566 1.277 1.00 0.55 H new ATOM 0 HG11 VAL A 107 12.913 3.794 2.572 1.00 1.50 H new ATOM 0 HG12 VAL A 107 11.848 5.130 2.073 1.00 1.50 H new ATOM 0 HG13 VAL A 107 11.814 3.586 1.188 1.00 1.50 H new ATOM 0 HG21 VAL A 107 14.870 3.192 1.306 1.00 1.70 H new ATOM 0 HG22 VAL A 107 13.912 2.903 -0.166 1.00 1.70 H new ATOM 0 HG23 VAL A 107 15.295 4.022 -0.210 1.00 1.70 H new ATOM 1610 N ASN A 108 14.493 7.299 -1.110 1.00 0.59 N ATOM 1611 CA ASN A 108 15.613 7.913 -1.811 1.00 0.68 C ATOM 1612 C ASN A 108 16.767 8.123 -0.840 1.00 0.82 C ATOM 1613 O ASN A 108 16.548 8.512 0.306 1.00 1.77 O ATOM 1614 CB ASN A 108 15.231 9.295 -2.343 1.00 0.72 C ATOM 1615 CG ASN A 108 14.288 9.239 -3.538 1.00 0.88 C ATOM 1616 OD1 ASN A 108 14.583 8.583 -4.531 1.00 2.07 O ATOM 1617 ND2 ASN A 108 13.171 9.957 -3.479 1.00 2.18 N ATOM 0 H ASN A 108 14.107 7.893 -0.377 1.00 0.59 H new ATOM 0 HA ASN A 108 15.891 7.252 -2.632 1.00 0.68 H new ATOM 0 HB2 ASN A 108 14.760 9.867 -1.544 1.00 0.72 H new ATOM 0 HB3 ASN A 108 16.137 9.830 -2.628 1.00 0.72 H new ATOM 0 HD21 ASN A 108 12.532 9.972 -4.274 1.00 2.18 H new ATOM 0 HD22 ASN A 108 12.953 10.493 -2.639 1.00 2.18 H new ATOM 1624 N PHE A 109 17.996 7.951 -1.334 1.00 0.92 N ATOM 1625 CA PHE A 109 19.223 8.199 -0.584 1.00 0.97 C ATOM 1626 C PHE A 109 19.935 9.476 -1.040 1.00 1.10 C ATOM 1627 O PHE A 109 20.991 9.809 -0.514 1.00 1.48 O ATOM 1628 CB PHE A 109 20.148 6.981 -0.720 1.00 0.96 C ATOM 1629 CG PHE A 109 20.658 6.488 0.614 1.00 1.22 C ATOM 1630 CD1 PHE A 109 19.789 5.777 1.458 1.00 1.64 C ATOM 1631 CD2 PHE A 109 21.943 6.839 1.064 1.00 2.58 C ATOM 1632 CE1 PHE A 109 20.225 5.365 2.725 1.00 1.77 C ATOM 1633 CE2 PHE A 109 22.392 6.393 2.318 1.00 2.88 C ATOM 1634 CZ PHE A 109 21.540 5.635 3.141 1.00 1.90 C ATOM 0 H PHE A 109 18.166 7.629 -2.287 1.00 0.92 H new ATOM 0 HA PHE A 109 18.960 8.349 0.463 1.00 0.97 H new ATOM 0 HB2 PHE A 109 19.611 6.175 -1.220 1.00 0.96 H new ATOM 0 HB3 PHE A 109 20.995 7.241 -1.355 1.00 0.96 H new ATOM 0 HD1 PHE A 109 18.786 5.548 1.131 1.00 1.64 H new ATOM 0 HD2 PHE A 109 22.584 7.451 0.446 1.00 2.58 H new ATOM 0 HE1 PHE A 109 19.549 4.839 3.383 1.00 1.77 H new ATOM 0 HE2 PHE A 109 23.391 6.632 2.650 1.00 2.88 H new ATOM 0 HZ PHE A 109 21.895 5.261 4.090 1.00 1.90 H new ATOM 1644 N ALA A 110 19.379 10.170 -2.039 1.00 1.00 N ATOM 1645 CA ALA A 110 19.940 11.401 -2.580 1.00 1.20 C ATOM 1646 C ALA A 110 19.262 12.594 -1.916 1.00 1.19 C ATOM 1647 O ALA A 110 19.916 13.545 -1.504 1.00 1.34 O ATOM 1648 CB ALA A 110 19.724 11.433 -4.095 1.00 1.34 C ATOM 0 H ALA A 110 18.514 9.883 -2.497 1.00 1.00 H new ATOM 0 HA ALA A 110 21.010 11.447 -2.378 1.00 1.20 H new ATOM 0 HB1 ALA A 110 20.143 12.353 -4.503 1.00 1.34 H new ATOM 0 HB2 ALA A 110 20.219 10.576 -4.551 1.00 1.34 H new ATOM 0 HB3 ALA A 110 18.656 11.393 -4.311 1.00 1.34 H new ATOM 1654 N LEU A 111 17.930 12.536 -1.853 1.00 1.12 N ATOM 1655 CA LEU A 111 17.109 13.619 -1.340 1.00 1.21 C ATOM 1656 C LEU A 111 16.971 13.545 0.180 1.00 1.04 C ATOM 1657 O LEU A 111 16.648 14.561 0.784 1.00 1.07 O ATOM 1658 CB LEU A 111 15.719 13.573 -1.985 1.00 1.28 C ATOM 1659 CG LEU A 111 15.720 13.392 -3.512 1.00 1.34 C ATOM 1660 CD1 LEU A 111 14.286 13.533 -4.032 1.00 1.52 C ATOM 1661 CD2 LEU A 111 16.616 14.413 -4.224 1.00 1.50 C ATOM 0 H LEU A 111 17.392 11.726 -2.161 1.00 1.12 H new ATOM 0 HA LEU A 111 17.601 14.558 -1.592 1.00 1.21 H new ATOM 0 HB2 LEU A 111 15.153 12.756 -1.537 1.00 1.28 H new ATOM 0 HB3 LEU A 111 15.192 14.496 -1.743 1.00 1.28 H new ATOM 0 HG LEU A 111 16.119 12.401 -3.726 1.00 1.34 H new ATOM 0 HD11 LEU A 111 14.277 13.406 -5.115 1.00 1.52 H new ATOM 0 HD12 LEU A 111 13.656 12.772 -3.572 1.00 1.52 H new ATOM 0 HD13 LEU A 111 13.903 14.522 -3.780 1.00 1.52 H new ATOM 0 HD21 LEU A 111 16.580 14.241 -5.300 1.00 1.50 H new ATOM 0 HD22 LEU A 111 16.263 15.421 -4.006 1.00 1.50 H new ATOM 0 HD23 LEU A 111 17.642 14.304 -3.873 1.00 1.50 H new ATOM 1673 N GLU A 112 17.135 12.343 0.759 1.00 0.99 N ATOM 1674 CA GLU A 112 16.945 12.036 2.171 1.00 0.96 C ATOM 1675 C GLU A 112 15.450 11.950 2.498 1.00 0.69 C ATOM 1676 O GLU A 112 14.997 12.371 3.559 1.00 0.65 O ATOM 1677 CB GLU A 112 17.753 12.994 3.068 1.00 1.29 C ATOM 1678 CG GLU A 112 19.259 12.781 2.845 1.00 1.54 C ATOM 1679 CD GLU A 112 20.098 13.739 3.683 1.00 2.07 C ATOM 1680 OE1 GLU A 112 20.390 14.840 3.168 1.00 3.20 O ATOM 1681 OE2 GLU A 112 20.442 13.348 4.818 1.00 2.61 O ATOM 0 H GLU A 112 17.418 11.524 0.220 1.00 0.99 H new ATOM 0 HA GLU A 112 17.353 11.049 2.391 1.00 0.96 H new ATOM 0 HB2 GLU A 112 17.487 14.027 2.843 1.00 1.29 H new ATOM 0 HB3 GLU A 112 17.504 12.821 4.115 1.00 1.29 H new ATOM 0 HG2 GLU A 112 19.522 11.753 3.096 1.00 1.54 H new ATOM 0 HG3 GLU A 112 19.493 12.921 1.790 1.00 1.54 H new ATOM 1688 N THR A 113 14.670 11.376 1.571 1.00 0.61 N ATOM 1689 CA THR A 113 13.217 11.361 1.650 1.00 0.55 C ATOM 1690 C THR A 113 12.665 10.024 1.149 1.00 0.55 C ATOM 1691 O THR A 113 13.404 9.224 0.576 1.00 0.67 O ATOM 1692 CB THR A 113 12.631 12.543 0.861 1.00 0.91 C ATOM 1693 OG1 THR A 113 12.701 12.292 -0.527 1.00 1.13 O ATOM 1694 CG2 THR A 113 13.360 13.865 1.126 1.00 1.02 C ATOM 0 H THR A 113 15.040 10.908 0.743 1.00 0.61 H new ATOM 0 HA THR A 113 12.918 11.471 2.692 1.00 0.55 H new ATOM 0 HB THR A 113 11.599 12.639 1.199 1.00 0.91 H new ATOM 0 HG1 THR A 113 12.632 13.138 -1.016 1.00 1.13 H new ATOM 0 HG21 THR A 113 12.898 14.659 0.539 1.00 1.02 H new ATOM 0 HG22 THR A 113 13.293 14.111 2.186 1.00 1.02 H new ATOM 0 HG23 THR A 113 14.408 13.766 0.842 1.00 1.02 H new ATOM 1702 N VAL A 114 11.368 9.798 1.349 1.00 0.52 N ATOM 1703 CA VAL A 114 10.620 8.646 0.875 1.00 0.56 C ATOM 1704 C VAL A 114 9.311 9.111 0.242 1.00 0.52 C ATOM 1705 O VAL A 114 8.600 9.933 0.822 1.00 0.48 O ATOM 1706 CB VAL A 114 10.393 7.653 2.035 1.00 0.53 C ATOM 1707 CG1 VAL A 114 9.833 8.303 3.309 1.00 0.45 C ATOM 1708 CG2 VAL A 114 9.467 6.493 1.650 1.00 0.57 C ATOM 0 H VAL A 114 10.785 10.450 1.874 1.00 0.52 H new ATOM 0 HA VAL A 114 11.187 8.120 0.107 1.00 0.56 H new ATOM 0 HB VAL A 114 11.394 7.275 2.246 1.00 0.53 H new ATOM 0 HG11 VAL A 114 9.701 7.542 4.078 1.00 0.45 H new ATOM 0 HG12 VAL A 114 10.529 9.062 3.666 1.00 0.45 H new ATOM 0 HG13 VAL A 114 8.871 8.767 3.088 1.00 0.45 H new ATOM 0 HG21 VAL A 114 9.344 5.827 2.504 1.00 0.57 H new ATOM 0 HG22 VAL A 114 8.495 6.887 1.353 1.00 0.57 H new ATOM 0 HG23 VAL A 114 9.903 5.940 0.818 1.00 0.57 H new ATOM 1718 N THR A 115 8.976 8.560 -0.926 1.00 0.55 N ATOM 1719 CA THR A 115 7.647 8.685 -1.485 1.00 0.53 C ATOM 1720 C THR A 115 6.802 7.599 -0.825 1.00 0.51 C ATOM 1721 O THR A 115 7.286 6.489 -0.626 1.00 0.63 O ATOM 1722 CB THR A 115 7.723 8.473 -2.997 1.00 0.59 C ATOM 1723 OG1 THR A 115 8.729 9.293 -3.566 1.00 0.60 O ATOM 1724 CG2 THR A 115 6.384 8.746 -3.676 1.00 0.67 C ATOM 0 H THR A 115 9.621 8.019 -1.502 1.00 0.55 H new ATOM 0 HA THR A 115 7.212 9.668 -1.306 1.00 0.53 H new ATOM 0 HB THR A 115 7.977 7.426 -3.164 1.00 0.59 H new ATOM 0 HG1 THR A 115 8.765 9.143 -4.534 1.00 0.60 H new ATOM 0 HG21 THR A 115 6.481 8.584 -4.750 1.00 0.67 H new ATOM 0 HG22 THR A 115 5.628 8.072 -3.274 1.00 0.67 H new ATOM 0 HG23 THR A 115 6.085 9.778 -3.490 1.00 0.67 H new ATOM 1732 N VAL A 116 5.561 7.915 -0.467 1.00 0.56 N ATOM 1733 CA VAL A 116 4.644 7.038 0.237 1.00 0.50 C ATOM 1734 C VAL A 116 3.335 7.015 -0.555 1.00 0.49 C ATOM 1735 O VAL A 116 2.581 7.989 -0.549 1.00 0.56 O ATOM 1736 CB VAL A 116 4.500 7.522 1.693 1.00 0.62 C ATOM 1737 CG1 VAL A 116 4.397 9.049 1.784 1.00 1.00 C ATOM 1738 CG2 VAL A 116 3.318 6.859 2.413 1.00 1.04 C ATOM 0 H VAL A 116 5.154 8.828 -0.670 1.00 0.56 H new ATOM 0 HA VAL A 116 5.004 6.011 0.303 1.00 0.50 H new ATOM 0 HB VAL A 116 5.413 7.215 2.204 1.00 0.62 H new ATOM 0 HG11 VAL A 116 4.297 9.345 2.828 1.00 1.00 H new ATOM 0 HG12 VAL A 116 5.296 9.500 1.363 1.00 1.00 H new ATOM 0 HG13 VAL A 116 3.525 9.389 1.225 1.00 1.00 H new ATOM 0 HG21 VAL A 116 3.259 7.233 3.435 1.00 1.04 H new ATOM 0 HG22 VAL A 116 2.393 7.094 1.886 1.00 1.04 H new ATOM 0 HG23 VAL A 116 3.462 5.779 2.429 1.00 1.04 H new ATOM 1748 N GLU A 117 3.076 5.912 -1.259 1.00 0.54 N ATOM 1749 CA GLU A 117 1.828 5.700 -1.970 1.00 0.58 C ATOM 1750 C GLU A 117 0.911 4.897 -1.070 1.00 0.56 C ATOM 1751 O GLU A 117 1.070 3.678 -0.966 1.00 0.56 O ATOM 1752 CB GLU A 117 2.069 4.913 -3.257 1.00 0.73 C ATOM 1753 CG GLU A 117 2.399 5.826 -4.431 1.00 0.82 C ATOM 1754 CD GLU A 117 2.631 5.051 -5.721 1.00 1.50 C ATOM 1755 OE1 GLU A 117 2.536 3.802 -5.669 1.00 2.05 O ATOM 1756 OE2 GLU A 117 2.892 5.730 -6.735 1.00 2.61 O ATOM 0 H GLU A 117 3.735 5.139 -1.348 1.00 0.54 H new ATOM 0 HA GLU A 117 1.387 6.663 -2.228 1.00 0.58 H new ATOM 0 HB2 GLU A 117 2.887 4.209 -3.104 1.00 0.73 H new ATOM 0 HB3 GLU A 117 1.183 4.324 -3.493 1.00 0.73 H new ATOM 0 HG2 GLU A 117 1.584 6.534 -4.577 1.00 0.82 H new ATOM 0 HG3 GLU A 117 3.289 6.409 -4.195 1.00 0.82 H new ATOM 1763 N TYR A 118 -0.054 5.561 -0.436 1.00 0.57 N ATOM 1764 CA TYR A 118 -0.953 4.901 0.494 1.00 0.56 C ATOM 1765 C TYR A 118 -2.342 5.507 0.419 1.00 0.58 C ATOM 1766 O TYR A 118 -2.526 6.579 -0.153 1.00 0.65 O ATOM 1767 CB TYR A 118 -0.385 4.967 1.917 1.00 0.54 C ATOM 1768 CG TYR A 118 -0.701 6.228 2.695 1.00 0.55 C ATOM 1769 CD1 TYR A 118 -0.377 7.497 2.177 1.00 1.76 C ATOM 1770 CD2 TYR A 118 -1.360 6.129 3.933 1.00 2.09 C ATOM 1771 CE1 TYR A 118 -0.718 8.657 2.890 1.00 1.72 C ATOM 1772 CE2 TYR A 118 -1.675 7.288 4.656 1.00 2.17 C ATOM 1773 CZ TYR A 118 -1.370 8.553 4.130 1.00 0.71 C ATOM 1774 OH TYR A 118 -1.725 9.673 4.822 1.00 0.88 O ATOM 0 H TYR A 118 -0.229 6.559 -0.554 1.00 0.57 H new ATOM 0 HA TYR A 118 -1.040 3.851 0.215 1.00 0.56 H new ATOM 0 HB2 TYR A 118 -0.762 4.112 2.478 1.00 0.54 H new ATOM 0 HB3 TYR A 118 0.698 4.859 1.861 1.00 0.54 H new ATOM 0 HD1 TYR A 118 0.135 7.578 1.229 1.00 1.76 H new ATOM 0 HD2 TYR A 118 -1.624 5.159 4.327 1.00 2.09 H new ATOM 0 HE1 TYR A 118 -0.479 9.629 2.485 1.00 1.72 H new ATOM 0 HE2 TYR A 118 -2.154 7.207 5.621 1.00 2.17 H new ATOM 0 HH TYR A 118 -2.697 9.684 4.950 1.00 0.88 H new ATOM 1784 N ASN A 119 -3.323 4.788 0.964 1.00 0.53 N ATOM 1785 CA ASN A 119 -4.699 5.238 1.029 1.00 0.57 C ATOM 1786 C ASN A 119 -4.846 6.113 2.273 1.00 0.55 C ATOM 1787 O ASN A 119 -4.798 5.583 3.383 1.00 0.60 O ATOM 1788 CB ASN A 119 -5.630 4.028 1.087 1.00 0.68 C ATOM 1789 CG ASN A 119 -7.068 4.419 1.400 1.00 1.39 C ATOM 1790 OD1 ASN A 119 -7.441 5.587 1.387 1.00 1.86 O ATOM 1791 ND2 ASN A 119 -7.866 3.427 1.762 1.00 2.51 N ATOM 0 H ASN A 119 -3.175 3.867 1.376 1.00 0.53 H new ATOM 0 HA ASN A 119 -4.966 5.818 0.146 1.00 0.57 H new ATOM 0 HB2 ASN A 119 -5.598 3.502 0.133 1.00 0.68 H new ATOM 0 HB3 ASN A 119 -5.272 3.333 1.846 1.00 0.68 H new ATOM 0 HD21 ASN A 119 -8.827 3.622 2.043 1.00 2.51 H new ATOM 0 HD22 ASN A 119 -7.520 2.467 1.760 1.00 2.51 H new ATOM 1798 N PRO A 120 -5.056 7.430 2.115 1.00 0.54 N ATOM 1799 CA PRO A 120 -5.124 8.346 3.237 1.00 0.54 C ATOM 1800 C PRO A 120 -6.499 8.329 3.911 1.00 0.60 C ATOM 1801 O PRO A 120 -6.822 9.264 4.643 1.00 0.66 O ATOM 1802 CB PRO A 120 -4.810 9.711 2.617 1.00 0.55 C ATOM 1803 CG PRO A 120 -5.489 9.608 1.250 1.00 0.59 C ATOM 1804 CD PRO A 120 -5.233 8.151 0.860 1.00 0.59 C ATOM 0 HA PRO A 120 -4.428 8.079 4.032 1.00 0.54 H new ATOM 0 HB2 PRO A 120 -5.213 10.531 3.211 1.00 0.55 H new ATOM 0 HB3 PRO A 120 -3.737 9.880 2.527 1.00 0.55 H new ATOM 0 HG2 PRO A 120 -6.554 9.831 1.309 1.00 0.59 H new ATOM 0 HG3 PRO A 120 -5.057 10.303 0.529 1.00 0.59 H new ATOM 0 HD2 PRO A 120 -6.069 7.746 0.291 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -4.347 8.064 0.231 1.00 0.59 H new ATOM 1812 N LYS A 121 -7.335 7.318 3.641 1.00 0.65 N ATOM 1813 CA LYS A 121 -8.583 7.113 4.358 1.00 0.73 C ATOM 1814 C LYS A 121 -8.405 5.984 5.378 1.00 0.70 C ATOM 1815 O LYS A 121 -8.607 6.196 6.571 1.00 0.87 O ATOM 1816 CB LYS A 121 -9.713 6.807 3.371 1.00 0.84 C ATOM 1817 CG LYS A 121 -9.790 7.751 2.163 1.00 1.74 C ATOM 1818 CD LYS A 121 -9.850 9.233 2.550 1.00 2.95 C ATOM 1819 CE LYS A 121 -10.122 10.081 1.299 1.00 4.31 C ATOM 1820 NZ LYS A 121 -9.567 11.444 1.418 1.00 5.65 N ATOM 0 H LYS A 121 -7.157 6.622 2.916 1.00 0.65 H new ATOM 0 HA LYS A 121 -8.853 8.021 4.897 1.00 0.73 H new ATOM 0 HB2 LYS A 121 -9.593 5.786 3.009 1.00 0.84 H new ATOM 0 HB3 LYS A 121 -10.662 6.846 3.905 1.00 0.84 H new ATOM 0 HG2 LYS A 121 -8.922 7.585 1.526 1.00 1.74 H new ATOM 0 HG3 LYS A 121 -10.671 7.502 1.572 1.00 1.74 H new ATOM 0 HD2 LYS A 121 -10.635 9.395 3.289 1.00 2.95 H new ATOM 0 HD3 LYS A 121 -8.910 9.537 3.011 1.00 2.95 H new ATOM 0 HE2 LYS A 121 -9.690 9.589 0.428 1.00 4.31 H new ATOM 0 HE3 LYS A 121 -11.197 10.142 1.130 1.00 4.31 H new ATOM 0 HZ1 LYS A 121 -9.774 11.980 0.551 1.00 5.65 H new ATOM 0 HZ2 LYS A 121 -9.998 11.924 2.234 1.00 5.65 H new ATOM 0 HZ3 LYS A 121 -8.537 11.389 1.553 1.00 5.65 H new ATOM 1834 N GLU A 122 -8.026 4.791 4.904 1.00 0.70 N ATOM 1835 CA GLU A 122 -7.859 3.606 5.741 1.00 0.73 C ATOM 1836 C GLU A 122 -6.815 3.882 6.829 1.00 0.71 C ATOM 1837 O GLU A 122 -7.018 3.520 7.986 1.00 0.76 O ATOM 1838 CB GLU A 122 -7.457 2.384 4.889 1.00 0.83 C ATOM 1839 CG GLU A 122 -8.589 1.394 4.528 1.00 1.00 C ATOM 1840 CD GLU A 122 -9.778 1.921 3.722 1.00 1.97 C ATOM 1841 OE1 GLU A 122 -9.836 3.143 3.460 1.00 2.94 O ATOM 1842 OE2 GLU A 122 -10.613 1.077 3.331 1.00 2.84 O ATOM 0 H GLU A 122 -7.826 4.624 3.918 1.00 0.70 H new ATOM 0 HA GLU A 122 -8.811 3.376 6.219 1.00 0.73 H new ATOM 0 HB2 GLU A 122 -7.011 2.746 3.962 1.00 0.83 H new ATOM 0 HB3 GLU A 122 -6.681 1.836 5.423 1.00 0.83 H new ATOM 0 HG2 GLU A 122 -8.146 0.570 3.968 1.00 1.00 H new ATOM 0 HG3 GLU A 122 -8.975 0.976 5.458 1.00 1.00 H new ATOM 1849 N ALA A 123 -5.697 4.512 6.453 1.00 0.69 N ATOM 1850 CA ALA A 123 -4.652 4.937 7.374 1.00 0.68 C ATOM 1851 C ALA A 123 -4.415 6.436 7.192 1.00 0.67 C ATOM 1852 O ALA A 123 -5.028 7.065 6.332 1.00 0.65 O ATOM 1853 CB ALA A 123 -3.384 4.118 7.120 1.00 0.67 C ATOM 0 H ALA A 123 -5.495 4.742 5.480 1.00 0.69 H new ATOM 0 HA ALA A 123 -4.952 4.764 8.408 1.00 0.68 H new ATOM 0 HB1 ALA A 123 -2.602 4.436 7.809 1.00 0.67 H new ATOM 0 HB2 ALA A 123 -3.597 3.060 7.275 1.00 0.67 H new ATOM 0 HB3 ALA A 123 -3.049 4.274 6.094 1.00 0.67 H new ATOM 1859 N SER A 124 -3.522 7.019 7.997 1.00 0.70 N ATOM 1860 CA SER A 124 -3.167 8.428 7.923 1.00 0.69 C ATOM 1861 C SER A 124 -1.714 8.580 8.364 1.00 0.68 C ATOM 1862 O SER A 124 -1.179 7.708 9.044 1.00 0.73 O ATOM 1863 CB SER A 124 -4.118 9.247 8.802 1.00 0.73 C ATOM 1864 OG SER A 124 -3.754 10.616 8.787 1.00 1.85 O ATOM 0 H SER A 124 -3.021 6.513 8.727 1.00 0.70 H new ATOM 0 HA SER A 124 -3.265 8.801 6.904 1.00 0.69 H new ATOM 0 HB2 SER A 124 -5.141 9.133 8.445 1.00 0.73 H new ATOM 0 HB3 SER A 124 -4.093 8.869 9.824 1.00 0.73 H new ATOM 0 HG SER A 124 -4.372 11.125 9.352 1.00 1.85 H new ATOM 1870 N VAL A 125 -1.086 9.701 8.000 1.00 0.66 N ATOM 1871 CA VAL A 125 0.299 10.026 8.327 1.00 0.71 C ATOM 1872 C VAL A 125 0.597 9.751 9.804 1.00 0.60 C ATOM 1873 O VAL A 125 1.664 9.249 10.137 1.00 0.67 O ATOM 1874 CB VAL A 125 0.599 11.492 7.958 1.00 0.82 C ATOM 1875 CG1 VAL A 125 2.107 11.764 8.031 1.00 1.55 C ATOM 1876 CG2 VAL A 125 0.091 11.831 6.549 1.00 1.74 C ATOM 0 H VAL A 125 -1.545 10.429 7.452 1.00 0.66 H new ATOM 0 HA VAL A 125 0.955 9.383 7.740 1.00 0.71 H new ATOM 0 HB VAL A 125 0.077 12.123 8.677 1.00 0.82 H new ATOM 0 HG11 VAL A 125 2.302 12.804 7.768 1.00 1.55 H new ATOM 0 HG12 VAL A 125 2.463 11.573 9.044 1.00 1.55 H new ATOM 0 HG13 VAL A 125 2.629 11.109 7.334 1.00 1.55 H new ATOM 0 HG21 VAL A 125 0.319 12.872 6.321 1.00 1.74 H new ATOM 0 HG22 VAL A 125 0.580 11.184 5.821 1.00 1.74 H new ATOM 0 HG23 VAL A 125 -0.987 11.677 6.504 1.00 1.74 H new ATOM 1886 N SER A 126 -0.333 10.071 10.705 1.00 0.49 N ATOM 1887 CA SER A 126 -0.180 9.798 12.127 1.00 0.46 C ATOM 1888 C SER A 126 0.165 8.333 12.431 1.00 0.48 C ATOM 1889 O SER A 126 1.036 8.084 13.263 1.00 0.49 O ATOM 1890 CB SER A 126 -1.433 10.266 12.864 1.00 0.53 C ATOM 1891 OG SER A 126 -1.623 11.638 12.565 1.00 0.67 O ATOM 0 H SER A 126 -1.213 10.527 10.465 1.00 0.49 H new ATOM 0 HA SER A 126 0.679 10.362 12.490 1.00 0.46 H new ATOM 0 HB2 SER A 126 -2.300 9.683 12.552 1.00 0.53 H new ATOM 0 HB3 SER A 126 -1.321 10.121 13.938 1.00 0.53 H new ATOM 0 HG SER A 126 -2.424 11.965 13.025 1.00 0.67 H new ATOM 1897 N ASP A 127 -0.479 7.379 11.750 1.00 0.56 N ATOM 1898 CA ASP A 127 -0.167 5.961 11.909 1.00 0.68 C ATOM 1899 C ASP A 127 1.300 5.721 11.553 1.00 0.72 C ATOM 1900 O ASP A 127 2.065 5.133 12.313 1.00 0.77 O ATOM 1901 CB ASP A 127 -1.084 5.120 11.013 1.00 0.77 C ATOM 1902 CG ASP A 127 -0.628 3.670 10.995 1.00 1.08 C ATOM 1903 OD1 ASP A 127 -0.998 2.950 11.944 1.00 2.07 O ATOM 1904 OD2 ASP A 127 0.091 3.325 10.033 1.00 1.73 O ATOM 0 H ASP A 127 -1.224 7.569 11.080 1.00 0.56 H new ATOM 0 HA ASP A 127 -0.333 5.664 12.945 1.00 0.68 H new ATOM 0 HB2 ASP A 127 -2.110 5.180 11.375 1.00 0.77 H new ATOM 0 HB3 ASP A 127 -1.079 5.521 10.000 1.00 0.77 H new ATOM 1909 N LEU A 128 1.706 6.259 10.405 1.00 0.73 N ATOM 1910 CA LEU A 128 3.062 6.140 9.902 1.00 0.79 C ATOM 1911 C LEU A 128 4.054 6.772 10.875 1.00 0.66 C ATOM 1912 O LEU A 128 5.118 6.207 11.119 1.00 0.63 O ATOM 1913 CB LEU A 128 3.156 6.735 8.494 1.00 0.91 C ATOM 1914 CG LEU A 128 2.438 5.850 7.463 1.00 1.22 C ATOM 1915 CD1 LEU A 128 2.487 6.546 6.105 1.00 1.43 C ATOM 1916 CD2 LEU A 128 3.090 4.466 7.334 1.00 1.41 C ATOM 0 H LEU A 128 1.090 6.796 9.794 1.00 0.73 H new ATOM 0 HA LEU A 128 3.328 5.086 9.825 1.00 0.79 H new ATOM 0 HB2 LEU A 128 2.716 7.732 8.489 1.00 0.91 H new ATOM 0 HB3 LEU A 128 4.203 6.847 8.214 1.00 0.91 H new ATOM 0 HG LEU A 128 1.411 5.705 7.799 1.00 1.22 H new ATOM 0 HD11 LEU A 128 1.981 5.930 5.362 1.00 1.43 H new ATOM 0 HD12 LEU A 128 1.989 7.513 6.174 1.00 1.43 H new ATOM 0 HD13 LEU A 128 3.526 6.693 5.809 1.00 1.43 H new ATOM 0 HD21 LEU A 128 2.549 3.876 6.594 1.00 1.41 H new ATOM 0 HD22 LEU A 128 4.127 4.580 7.018 1.00 1.41 H new ATOM 0 HD23 LEU A 128 3.058 3.957 8.298 1.00 1.41 H new ATOM 1928 N LYS A 129 3.708 7.923 11.456 1.00 0.63 N ATOM 1929 CA LYS A 129 4.525 8.537 12.488 1.00 0.56 C ATOM 1930 C LYS A 129 4.636 7.622 13.713 1.00 0.60 C ATOM 1931 O LYS A 129 5.738 7.416 14.211 1.00 0.73 O ATOM 1932 CB LYS A 129 4.065 9.969 12.802 1.00 0.50 C ATOM 1933 CG LYS A 129 4.276 10.853 11.555 1.00 0.64 C ATOM 1934 CD LYS A 129 4.524 12.345 11.845 1.00 0.69 C ATOM 1935 CE LYS A 129 3.257 13.206 11.913 1.00 2.14 C ATOM 1936 NZ LYS A 129 2.330 12.762 12.972 1.00 3.21 N ATOM 0 H LYS A 129 2.863 8.445 11.224 1.00 0.63 H new ATOM 0 HA LYS A 129 5.541 8.650 12.111 1.00 0.56 H new ATOM 0 HB2 LYS A 129 3.014 9.971 13.091 1.00 0.50 H new ATOM 0 HB3 LYS A 129 4.628 10.368 13.645 1.00 0.50 H new ATOM 0 HG2 LYS A 129 5.124 10.463 10.992 1.00 0.64 H new ATOM 0 HG3 LYS A 129 3.399 10.765 10.914 1.00 0.64 H new ATOM 0 HD2 LYS A 129 5.057 12.433 12.792 1.00 0.69 H new ATOM 0 HD3 LYS A 129 5.179 12.747 11.072 1.00 0.69 H new ATOM 0 HE2 LYS A 129 3.536 14.245 12.091 1.00 2.14 H new ATOM 0 HE3 LYS A 129 2.747 13.173 10.950 1.00 2.14 H new ATOM 0 HZ1 LYS A 129 1.506 13.396 13.000 1.00 3.21 H new ATOM 0 HZ2 LYS A 129 2.014 11.791 12.772 1.00 3.21 H new ATOM 0 HZ3 LYS A 129 2.816 12.786 13.891 1.00 3.21 H new ATOM 1950 N GLU A 130 3.539 7.015 14.176 1.00 0.60 N ATOM 1951 CA GLU A 130 3.622 6.069 15.282 1.00 0.64 C ATOM 1952 C GLU A 130 4.555 4.902 14.917 1.00 0.65 C ATOM 1953 O GLU A 130 5.450 4.528 15.679 1.00 0.68 O ATOM 1954 CB GLU A 130 2.196 5.624 15.627 1.00 0.69 C ATOM 1955 CG GLU A 130 2.059 5.041 17.037 1.00 1.32 C ATOM 1956 CD GLU A 130 2.562 3.609 17.172 1.00 2.09 C ATOM 1957 OE1 GLU A 130 2.760 2.938 16.136 1.00 2.80 O ATOM 1958 OE2 GLU A 130 2.751 3.132 18.313 1.00 3.05 O ATOM 0 H GLU A 130 2.600 7.161 13.806 1.00 0.60 H new ATOM 0 HA GLU A 130 4.059 6.529 16.168 1.00 0.64 H new ATOM 0 HB2 GLU A 130 1.525 6.477 15.529 1.00 0.69 H new ATOM 0 HB3 GLU A 130 1.872 4.878 14.901 1.00 0.69 H new ATOM 0 HG2 GLU A 130 2.607 5.674 17.735 1.00 1.32 H new ATOM 0 HG3 GLU A 130 1.010 5.075 17.332 1.00 1.32 H new ATOM 1965 N ALA A 131 4.375 4.355 13.712 1.00 0.68 N ATOM 1966 CA ALA A 131 5.114 3.198 13.252 1.00 0.76 C ATOM 1967 C ALA A 131 6.605 3.519 13.194 1.00 0.66 C ATOM 1968 O ALA A 131 7.422 2.785 13.745 1.00 0.68 O ATOM 1969 CB ALA A 131 4.581 2.749 11.888 1.00 0.87 C ATOM 0 H ALA A 131 3.705 4.712 13.030 1.00 0.68 H new ATOM 0 HA ALA A 131 4.978 2.375 13.954 1.00 0.76 H new ATOM 0 HB1 ALA A 131 5.141 1.878 11.547 1.00 0.87 H new ATOM 0 HB2 ALA A 131 3.526 2.490 11.977 1.00 0.87 H new ATOM 0 HB3 ALA A 131 4.696 3.559 11.168 1.00 0.87 H new ATOM 1975 N VAL A 132 6.972 4.612 12.522 1.00 0.59 N ATOM 1976 CA VAL A 132 8.357 4.969 12.314 1.00 0.51 C ATOM 1977 C VAL A 132 9.010 5.413 13.619 1.00 0.43 C ATOM 1978 O VAL A 132 10.203 5.174 13.802 1.00 0.43 O ATOM 1979 CB VAL A 132 8.469 6.002 11.187 1.00 0.58 C ATOM 1980 CG1 VAL A 132 7.990 7.381 11.647 1.00 1.88 C ATOM 1981 CG2 VAL A 132 9.916 6.056 10.679 1.00 1.37 C ATOM 0 H VAL A 132 6.309 5.268 12.110 1.00 0.59 H new ATOM 0 HA VAL A 132 8.916 4.091 11.991 1.00 0.51 H new ATOM 0 HB VAL A 132 7.820 5.696 10.366 1.00 0.58 H new ATOM 0 HG11 VAL A 132 8.082 8.091 10.825 1.00 1.88 H new ATOM 0 HG12 VAL A 132 6.947 7.319 11.958 1.00 1.88 H new ATOM 0 HG13 VAL A 132 8.599 7.717 12.486 1.00 1.88 H new ATOM 0 HG21 VAL A 132 9.993 6.791 9.878 1.00 1.37 H new ATOM 0 HG22 VAL A 132 10.578 6.340 11.497 1.00 1.37 H new ATOM 0 HG23 VAL A 132 10.206 5.076 10.301 1.00 1.37 H new ATOM 1991 N ASP A 133 8.242 5.982 14.557 1.00 0.47 N ATOM 1992 CA ASP A 133 8.765 6.220 15.892 1.00 0.55 C ATOM 1993 C ASP A 133 9.303 4.907 16.464 1.00 0.65 C ATOM 1994 O ASP A 133 10.423 4.846 16.968 1.00 0.74 O ATOM 1995 CB ASP A 133 7.710 6.852 16.815 1.00 0.71 C ATOM 1996 CG ASP A 133 8.018 8.315 17.111 1.00 1.45 C ATOM 1997 OD1 ASP A 133 7.985 9.117 16.153 1.00 1.84 O ATOM 1998 OD2 ASP A 133 8.292 8.606 18.296 1.00 2.64 O ATOM 0 H ASP A 133 7.277 6.278 14.413 1.00 0.47 H new ATOM 0 HA ASP A 133 9.582 6.939 15.827 1.00 0.55 H new ATOM 0 HB2 ASP A 133 6.727 6.775 16.350 1.00 0.71 H new ATOM 0 HB3 ASP A 133 7.665 6.294 17.750 1.00 0.71 H new ATOM 2003 N LYS A 134 8.540 3.823 16.303 1.00 0.70 N ATOM 2004 CA LYS A 134 8.960 2.479 16.695 1.00 0.82 C ATOM 2005 C LYS A 134 10.156 1.938 15.887 1.00 0.71 C ATOM 2006 O LYS A 134 10.759 0.952 16.308 1.00 0.87 O ATOM 2007 CB LYS A 134 7.749 1.519 16.671 1.00 0.95 C ATOM 2008 CG LYS A 134 7.318 1.044 18.074 1.00 1.40 C ATOM 2009 CD LYS A 134 5.827 1.306 18.329 1.00 1.59 C ATOM 2010 CE LYS A 134 4.930 0.347 17.534 1.00 1.86 C ATOM 2011 NZ LYS A 134 3.552 0.865 17.420 1.00 2.45 N ATOM 0 H LYS A 134 7.606 3.856 15.894 1.00 0.70 H new ATOM 0 HA LYS A 134 9.333 2.546 17.717 1.00 0.82 H new ATOM 0 HB2 LYS A 134 6.908 2.018 16.190 1.00 0.95 H new ATOM 0 HB3 LYS A 134 7.995 0.650 16.061 1.00 0.95 H new ATOM 0 HG2 LYS A 134 7.523 -0.022 18.176 1.00 1.40 H new ATOM 0 HG3 LYS A 134 7.912 1.557 18.830 1.00 1.40 H new ATOM 0 HD2 LYS A 134 5.617 1.200 19.393 1.00 1.59 H new ATOM 0 HD3 LYS A 134 5.588 2.334 18.058 1.00 1.59 H new ATOM 0 HE2 LYS A 134 5.347 0.198 16.538 1.00 1.86 H new ATOM 0 HE3 LYS A 134 4.914 -0.627 18.022 1.00 1.86 H new ATOM 0 HZ1 LYS A 134 2.881 0.071 17.430 1.00 2.45 H new ATOM 0 HZ2 LYS A 134 3.352 1.498 18.221 1.00 2.45 H new ATOM 0 HZ3 LYS A 134 3.452 1.392 16.529 1.00 2.45 H new ATOM 2025 N LEU A 135 10.538 2.565 14.766 1.00 0.72 N ATOM 2026 CA LEU A 135 11.791 2.273 14.065 1.00 0.70 C ATOM 2027 C LEU A 135 12.953 3.111 14.627 1.00 0.78 C ATOM 2028 O LEU A 135 14.100 2.888 14.242 1.00 1.11 O ATOM 2029 CB LEU A 135 11.639 2.499 12.546 1.00 0.59 C ATOM 2030 CG LEU A 135 11.096 1.300 11.747 1.00 0.55 C ATOM 2031 CD1 LEU A 135 12.150 0.198 11.608 1.00 0.66 C ATOM 2032 CD2 LEU A 135 9.791 0.734 12.314 1.00 0.75 C ATOM 0 H LEU A 135 9.981 3.293 14.319 1.00 0.72 H new ATOM 0 HA LEU A 135 12.026 1.222 14.231 1.00 0.70 H new ATOM 0 HB2 LEU A 135 10.975 3.349 12.388 1.00 0.59 H new ATOM 0 HB3 LEU A 135 12.612 2.774 12.138 1.00 0.59 H new ATOM 0 HG LEU A 135 10.861 1.686 10.755 1.00 0.55 H new ATOM 0 HD11 LEU A 135 11.734 -0.633 11.039 1.00 0.66 H new ATOM 0 HD12 LEU A 135 13.023 0.593 11.088 1.00 0.66 H new ATOM 0 HD13 LEU A 135 12.444 -0.151 12.598 1.00 0.66 H new ATOM 0 HD21 LEU A 135 9.464 -0.108 11.704 1.00 0.75 H new ATOM 0 HD22 LEU A 135 9.955 0.398 13.338 1.00 0.75 H new ATOM 0 HD23 LEU A 135 9.024 1.508 12.304 1.00 0.75 H new ATOM 2044 N GLY A 136 12.687 4.074 15.519 1.00 0.70 N ATOM 2045 CA GLY A 136 13.707 4.868 16.198 1.00 0.76 C ATOM 2046 C GLY A 136 14.063 6.157 15.452 1.00 0.72 C ATOM 2047 O GLY A 136 14.683 7.062 16.017 1.00 1.37 O ATOM 0 H GLY A 136 11.736 4.324 15.791 1.00 0.70 H new ATOM 0 HA2 GLY A 136 13.356 5.120 17.199 1.00 0.76 H new ATOM 0 HA3 GLY A 136 14.607 4.265 16.319 1.00 0.76 H new ATOM 2051 N TYR A 137 13.696 6.255 14.173 1.00 0.75 N ATOM 2052 CA TYR A 137 13.982 7.429 13.362 1.00 0.65 C ATOM 2053 C TYR A 137 12.837 8.424 13.539 1.00 0.62 C ATOM 2054 O TYR A 137 12.215 8.461 14.597 1.00 1.00 O ATOM 2055 CB TYR A 137 14.217 7.009 11.904 1.00 0.58 C ATOM 2056 CG TYR A 137 15.128 5.808 11.725 1.00 0.68 C ATOM 2057 CD1 TYR A 137 16.193 5.561 12.615 1.00 1.80 C ATOM 2058 CD2 TYR A 137 14.849 4.879 10.711 1.00 1.90 C ATOM 2059 CE1 TYR A 137 16.833 4.312 12.609 1.00 1.75 C ATOM 2060 CE2 TYR A 137 15.491 3.630 10.705 1.00 2.01 C ATOM 2061 CZ TYR A 137 16.421 3.317 11.709 1.00 0.88 C ATOM 2062 OH TYR A 137 17.005 2.085 11.739 1.00 1.00 O ATOM 0 H TYR A 137 13.193 5.521 13.675 1.00 0.75 H new ATOM 0 HA TYR A 137 14.899 7.925 13.681 1.00 0.65 H new ATOM 0 HB2 TYR A 137 13.253 6.788 11.445 1.00 0.58 H new ATOM 0 HB3 TYR A 137 14.642 7.854 11.362 1.00 0.58 H new ATOM 0 HD1 TYR A 137 16.516 6.331 13.300 1.00 1.80 H new ATOM 0 HD2 TYR A 137 14.140 5.125 9.934 1.00 1.90 H new ATOM 0 HE1 TYR A 137 17.642 4.117 13.297 1.00 1.75 H new ATOM 0 HE2 TYR A 137 15.270 2.912 9.930 1.00 2.01 H new ATOM 0 HH TYR A 137 17.898 2.136 11.338 1.00 1.00 H new ATOM 2072 N LYS A 138 12.586 9.263 12.539 1.00 0.62 N ATOM 2073 CA LYS A 138 11.366 10.036 12.434 1.00 0.76 C ATOM 2074 C LYS A 138 11.193 10.425 10.973 1.00 0.67 C ATOM 2075 O LYS A 138 12.186 10.529 10.245 1.00 0.69 O ATOM 2076 CB LYS A 138 11.304 11.232 13.394 1.00 0.98 C ATOM 2077 CG LYS A 138 12.459 12.231 13.268 1.00 1.00 C ATOM 2078 CD LYS A 138 13.827 11.766 13.797 1.00 1.85 C ATOM 2079 CE LYS A 138 13.849 11.463 15.308 1.00 3.35 C ATOM 2080 NZ LYS A 138 14.885 10.474 15.679 1.00 4.70 N ATOM 0 H LYS A 138 13.238 9.423 11.771 1.00 0.62 H new ATOM 0 HA LYS A 138 10.524 9.423 12.755 1.00 0.76 H new ATOM 0 HB2 LYS A 138 10.366 11.762 13.228 1.00 0.98 H new ATOM 0 HB3 LYS A 138 11.280 10.856 14.417 1.00 0.98 H new ATOM 0 HG2 LYS A 138 12.571 12.493 12.216 1.00 1.00 H new ATOM 0 HG3 LYS A 138 12.181 13.143 13.796 1.00 1.00 H new ATOM 0 HD2 LYS A 138 14.129 10.871 13.254 1.00 1.85 H new ATOM 0 HD3 LYS A 138 14.568 12.535 13.581 1.00 1.85 H new ATOM 0 HE2 LYS A 138 14.023 12.388 15.857 1.00 3.35 H new ATOM 0 HE3 LYS A 138 12.871 11.090 15.614 1.00 3.35 H new ATOM 0 HZ1 LYS A 138 14.855 10.308 16.705 1.00 4.70 H new ATOM 0 HZ2 LYS A 138 14.707 9.580 15.178 1.00 4.70 H new ATOM 0 HZ3 LYS A 138 15.823 10.838 15.414 1.00 4.70 H new ATOM 2094 N LEU A 139 9.941 10.624 10.563 1.00 0.63 N ATOM 2095 CA LEU A 139 9.600 11.139 9.252 1.00 0.57 C ATOM 2096 C LEU A 139 9.154 12.586 9.403 1.00 0.54 C ATOM 2097 O LEU A 139 8.614 12.978 10.437 1.00 0.66 O ATOM 2098 CB LEU A 139 8.482 10.323 8.606 1.00 0.81 C ATOM 2099 CG LEU A 139 8.845 8.846 8.441 1.00 0.61 C ATOM 2100 CD1 LEU A 139 7.642 8.119 7.847 1.00 1.42 C ATOM 2101 CD2 LEU A 139 10.057 8.596 7.546 1.00 1.31 C ATOM 0 H LEU A 139 9.128 10.427 11.147 1.00 0.63 H new ATOM 0 HA LEU A 139 10.476 11.071 8.607 1.00 0.57 H new ATOM 0 HB2 LEU A 139 7.581 10.405 9.214 1.00 0.81 H new ATOM 0 HB3 LEU A 139 8.248 10.746 7.629 1.00 0.81 H new ATOM 0 HG LEU A 139 9.110 8.475 9.431 1.00 0.61 H new ATOM 0 HD11 LEU A 139 7.881 7.063 7.721 1.00 1.42 H new ATOM 0 HD12 LEU A 139 6.788 8.221 8.517 1.00 1.42 H new ATOM 0 HD13 LEU A 139 7.397 8.553 6.878 1.00 1.42 H new ATOM 0 HD21 LEU A 139 10.247 7.525 7.482 1.00 1.31 H new ATOM 0 HD22 LEU A 139 9.861 8.990 6.549 1.00 1.31 H new ATOM 0 HD23 LEU A 139 10.930 9.094 7.968 1.00 1.31 H new ATOM 2113 N LYS A 140 9.379 13.360 8.351 1.00 0.49 N ATOM 2114 CA LYS A 140 9.053 14.770 8.232 1.00 0.53 C ATOM 2115 C LYS A 140 8.260 14.946 6.936 1.00 0.50 C ATOM 2116 O LYS A 140 8.130 14.004 6.163 1.00 0.53 O ATOM 2117 CB LYS A 140 10.377 15.539 8.185 1.00 0.63 C ATOM 2118 CG LYS A 140 11.105 15.560 9.535 1.00 0.97 C ATOM 2119 CD LYS A 140 10.814 16.830 10.338 1.00 1.45 C ATOM 2120 CE LYS A 140 11.667 17.985 9.792 1.00 1.69 C ATOM 2121 NZ LYS A 140 11.374 19.259 10.472 1.00 1.96 N ATOM 0 H LYS A 140 9.821 12.996 7.507 1.00 0.49 H new ATOM 0 HA LYS A 140 8.456 15.140 9.065 1.00 0.53 H new ATOM 0 HB2 LYS A 140 11.027 15.088 7.435 1.00 0.63 H new ATOM 0 HB3 LYS A 140 10.185 16.563 7.866 1.00 0.63 H new ATOM 0 HG2 LYS A 140 10.807 14.689 10.118 1.00 0.97 H new ATOM 0 HG3 LYS A 140 12.179 15.479 9.366 1.00 0.97 H new ATOM 0 HD2 LYS A 140 9.756 17.082 10.271 1.00 1.45 H new ATOM 0 HD3 LYS A 140 11.036 16.666 11.392 1.00 1.45 H new ATOM 0 HE2 LYS A 140 12.723 17.744 9.913 1.00 1.69 H new ATOM 0 HE3 LYS A 140 11.486 18.095 8.723 1.00 1.69 H new ATOM 0 HZ1 LYS A 140 11.971 20.011 10.073 1.00 1.96 H new ATOM 0 HZ2 LYS A 140 10.372 19.503 10.335 1.00 1.96 H new ATOM 0 HZ3 LYS A 140 11.571 19.163 11.489 1.00 1.96 H new ATOM 2135 N LEU A 141 7.716 16.134 6.680 1.00 0.60 N ATOM 2136 CA LEU A 141 6.970 16.415 5.461 1.00 0.68 C ATOM 2137 C LEU A 141 7.877 17.119 4.444 1.00 0.67 C ATOM 2138 O LEU A 141 8.602 18.041 4.817 1.00 0.90 O ATOM 2139 CB LEU A 141 5.777 17.318 5.792 1.00 1.03 C ATOM 2140 CG LEU A 141 4.711 16.740 6.746 1.00 1.25 C ATOM 2141 CD1 LEU A 141 4.185 15.375 6.290 1.00 1.91 C ATOM 2142 CD2 LEU A 141 5.157 16.656 8.213 1.00 2.95 C ATOM 0 H LEU A 141 7.782 16.929 7.315 1.00 0.60 H new ATOM 0 HA LEU A 141 6.614 15.478 5.034 1.00 0.68 H new ATOM 0 HB2 LEU A 141 6.160 18.240 6.229 1.00 1.03 H new ATOM 0 HB3 LEU A 141 5.286 17.588 4.857 1.00 1.03 H new ATOM 0 HG LEU A 141 3.900 17.466 6.696 1.00 1.25 H new ATOM 0 HD11 LEU A 141 3.438 15.017 6.999 1.00 1.91 H new ATOM 0 HD12 LEU A 141 3.732 15.471 5.303 1.00 1.91 H new ATOM 0 HD13 LEU A 141 5.010 14.664 6.243 1.00 1.91 H new ATOM 0 HD21 LEU A 141 4.350 16.239 8.815 1.00 2.95 H new ATOM 0 HD22 LEU A 141 6.035 16.015 8.290 1.00 2.95 H new ATOM 0 HD23 LEU A 141 5.403 17.654 8.576 1.00 2.95 H new ATOM 2154 N LYS A 142 7.794 16.764 3.155 1.00 0.58 N ATOM 2155 CA LYS A 142 8.517 17.511 2.128 1.00 0.73 C ATOM 2156 C LYS A 142 7.726 18.776 1.798 1.00 1.07 C ATOM 2157 O LYS A 142 6.977 18.831 0.822 1.00 1.21 O ATOM 2158 CB LYS A 142 8.740 16.685 0.853 1.00 0.64 C ATOM 2159 CG LYS A 142 9.861 15.650 0.989 1.00 0.96 C ATOM 2160 CD LYS A 142 10.223 15.080 -0.392 1.00 1.49 C ATOM 2161 CE LYS A 142 10.979 16.035 -1.329 1.00 2.18 C ATOM 2162 NZ LYS A 142 10.103 16.541 -2.407 1.00 3.34 N ATOM 0 H LYS A 142 7.244 15.979 2.807 1.00 0.58 H new ATOM 0 HA LYS A 142 9.503 17.763 2.519 1.00 0.73 H new ATOM 0 HB2 LYS A 142 7.813 16.174 0.593 1.00 0.64 H new ATOM 0 HB3 LYS A 142 8.975 17.358 0.029 1.00 0.64 H new ATOM 0 HG2 LYS A 142 10.739 16.110 1.443 1.00 0.96 H new ATOM 0 HG3 LYS A 142 9.545 14.845 1.652 1.00 0.96 H new ATOM 0 HD2 LYS A 142 10.829 14.186 -0.248 1.00 1.49 H new ATOM 0 HD3 LYS A 142 9.304 14.766 -0.887 1.00 1.49 H new ATOM 0 HE2 LYS A 142 11.373 16.874 -0.755 1.00 2.18 H new ATOM 0 HE3 LYS A 142 11.833 15.518 -1.765 1.00 2.18 H new ATOM 0 HZ1 LYS A 142 10.667 17.100 -3.079 1.00 3.34 H new ATOM 0 HZ2 LYS A 142 9.667 15.739 -2.905 1.00 3.34 H new ATOM 0 HZ3 LYS A 142 9.358 17.140 -1.997 1.00 3.34 H new