USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 798 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 93 ASN : amide:sc= -6.24! K(o=-6.1!,f=-0.7) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 174:sc= 0.144 (180deg=0) USER MOD Set 2.1: A 69 CYS SG : rot 146:sc= 1.54 USER MOD Set 2.2: A 78 GLN : amide:sc= -2.81! C(o=-1.3!,f=-5.1!) USER MOD Set 3.1: A 32 CYS SG : rot -141:sc= -1.83! USER MOD Set 3.2: A 35 CYS SG : rot 119:sc= 0.451! USER MOD Set 4.1: A 30 THR OG1 : rot -41:sc= 0.669 USER MOD Set 4.2: A 39 LYS NZ :NH3+ -152:sc= 0.0229 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= 0.0924 (180deg=0.0278) USER MOD Single : A 4 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.098) USER MOD Single : A 7 SER OG : rot -114:sc= 0.136 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.14! C(o=-2.1!,f=-1.1!) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.0116 (180deg=-0.26) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00843 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= -0.0882 (180deg=-0.467) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.994 K(o=-0.99,f=-2.9!) USER MOD Single : A 44 SER OG : rot -136:sc= 0.563 USER MOD Single : A 46 SER OG : rot 161:sc= 0.128 USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= 0.469 (180deg=-0.318) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.89! C(o=-1.9!,f=-0.038!) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.109 USER MOD Single : A 63 GLN : amide:sc= -0.362 K(o=-0.36,f=-3.3!) USER MOD Single : A 67 SER OG : rot -34:sc= 0.327 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.339 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 76 THR OG1 : rot 71:sc= 0.355 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -0.669 (180deg=-1.35!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -125:sc= -0.705 (180deg=-2.33!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -3.27! (180deg=-3.69!) USER MOD Single : A 100 THR OG1 : rot 59:sc= -0.177 USER MOD Single : A 102 ASN : amide:sc= -0.781 X(o=-0.78,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.710 0.557 9.043 1.00 1.07 N ATOM 21 CA VAL A 2 -2.659 0.172 8.062 1.00 0.62 C ATOM 22 C VAL A 2 -1.612 -0.705 8.747 1.00 0.76 C ATOM 23 O VAL A 2 -1.199 -0.425 9.855 1.00 1.34 O ATOM 24 CB VAL A 2 -1.997 1.434 7.523 1.00 0.95 C ATOM 25 CG1 VAL A 2 -1.093 1.063 6.347 1.00 1.09 C ATOM 26 CG2 VAL A 2 -3.082 2.394 7.039 1.00 0.86 C ATOM 0 HA VAL A 2 -3.109 -0.387 7.241 1.00 0.62 H new ATOM 0 HB VAL A 2 -1.405 1.907 8.306 1.00 0.95 H new ATOM 0 HG11 VAL A 2 -0.616 1.962 5.957 1.00 1.09 H new ATOM 0 HG12 VAL A 2 -0.328 0.363 6.683 1.00 1.09 H new ATOM 0 HG13 VAL A 2 -1.690 0.599 5.562 1.00 1.09 H new ATOM 0 HG21 VAL A 2 -2.619 3.301 6.651 1.00 0.86 H new ATOM 0 HG22 VAL A 2 -3.664 1.918 6.250 1.00 0.86 H new ATOM 0 HG23 VAL A 2 -3.739 2.649 7.870 1.00 0.86 H new ATOM 36 N LYS A 3 -1.205 -1.746 8.071 1.00 0.24 N ATOM 37 CA LYS A 3 -0.187 -2.668 8.667 1.00 0.35 C ATOM 38 C LYS A 3 1.155 -2.521 7.943 1.00 0.23 C ATOM 39 O LYS A 3 1.205 -2.435 6.732 1.00 0.16 O ATOM 40 CB LYS A 3 -0.682 -4.110 8.535 1.00 0.46 C ATOM 41 CG LYS A 3 -0.352 -4.882 9.818 1.00 0.94 C ATOM 42 CD LYS A 3 1.163 -4.881 10.034 1.00 2.48 C ATOM 43 CE LYS A 3 1.555 -6.123 10.837 1.00 2.50 C ATOM 44 NZ LYS A 3 2.923 -5.965 11.406 1.00 4.35 N ATOM 0 H LYS A 3 -1.529 -1.999 7.138 1.00 0.24 H new ATOM 0 HA LYS A 3 -0.047 -2.415 9.718 1.00 0.35 H new ATOM 0 HB2 LYS A 3 -1.757 -4.122 8.357 1.00 0.46 H new ATOM 0 HB3 LYS A 3 -0.211 -4.590 7.677 1.00 0.46 H new ATOM 0 HG2 LYS A 3 -0.853 -4.424 10.671 1.00 0.94 H new ATOM 0 HG3 LYS A 3 -0.720 -5.905 9.745 1.00 0.94 H new ATOM 0 HD2 LYS A 3 1.680 -4.875 9.074 1.00 2.48 H new ATOM 0 HD3 LYS A 3 1.467 -3.979 10.565 1.00 2.48 H new ATOM 0 HE2 LYS A 3 0.837 -6.286 11.641 1.00 2.50 H new ATOM 0 HE3 LYS A 3 1.521 -7.004 10.196 1.00 2.50 H new ATOM 0 HZ1 LYS A 3 3.302 -6.899 11.663 1.00 4.35 H new ATOM 0 HZ2 LYS A 3 3.544 -5.521 10.699 1.00 4.35 H new ATOM 0 HZ3 LYS A 3 2.879 -5.364 12.254 1.00 4.35 H new ATOM 58 N GLN A 4 2.216 -2.497 8.704 1.00 0.46 N ATOM 59 CA GLN A 4 3.563 -2.357 8.080 1.00 0.43 C ATOM 60 C GLN A 4 4.207 -3.736 7.898 1.00 0.35 C ATOM 61 O GLN A 4 4.044 -4.614 8.722 1.00 0.41 O ATOM 62 CB GLN A 4 4.447 -1.500 8.983 1.00 0.67 C ATOM 63 CG GLN A 4 5.844 -1.400 8.369 1.00 0.62 C ATOM 64 CD GLN A 4 6.475 -0.062 8.759 1.00 1.05 C ATOM 65 OE1 GLN A 4 7.383 -0.002 9.563 1.00 1.01 O ATOM 66 NE2 GLN A 4 6.023 1.033 8.212 1.00 2.12 N ATOM 0 H GLN A 4 2.209 -2.568 9.722 1.00 0.46 H new ATOM 0 HA GLN A 4 3.458 -1.883 7.104 1.00 0.43 H new ATOM 0 HB2 GLN A 4 4.015 -0.506 9.098 1.00 0.67 H new ATOM 0 HB3 GLN A 4 4.505 -1.939 9.979 1.00 0.67 H new ATOM 0 HG2 GLN A 4 6.467 -2.224 8.718 1.00 0.62 H new ATOM 0 HG3 GLN A 4 5.783 -1.484 7.284 1.00 0.62 H new ATOM 0 HE21 GLN A 4 5.260 0.988 7.536 1.00 2.12 H new ATOM 0 HE22 GLN A 4 6.432 1.934 8.460 1.00 2.12 H new ATOM 75 N ILE A 5 4.927 -3.894 6.818 1.00 0.27 N ATOM 76 CA ILE A 5 5.593 -5.206 6.560 1.00 0.27 C ATOM 77 C ILE A 5 7.065 -5.131 6.982 1.00 0.32 C ATOM 78 O ILE A 5 7.561 -4.073 7.314 1.00 0.48 O ATOM 79 CB ILE A 5 5.502 -5.525 5.060 1.00 0.17 C ATOM 80 CG1 ILE A 5 4.043 -5.343 4.591 1.00 0.25 C ATOM 81 CG2 ILE A 5 5.969 -6.972 4.792 1.00 0.32 C ATOM 82 CD1 ILE A 5 3.103 -6.175 5.473 1.00 0.47 C ATOM 0 H ILE A 5 5.082 -3.178 6.108 1.00 0.27 H new ATOM 0 HA ILE A 5 5.098 -5.989 7.135 1.00 0.27 H new ATOM 0 HB ILE A 5 6.150 -4.846 4.506 1.00 0.17 H new ATOM 0 HG12 ILE A 5 3.765 -4.290 4.640 1.00 0.25 H new ATOM 0 HG13 ILE A 5 3.946 -5.650 3.550 1.00 0.25 H new ATOM 0 HG21 ILE A 5 5.899 -7.185 3.725 1.00 0.32 H new ATOM 0 HG22 ILE A 5 7.003 -7.087 5.118 1.00 0.32 H new ATOM 0 HG23 ILE A 5 5.335 -7.667 5.343 1.00 0.32 H new ATOM 0 HD11 ILE A 5 2.075 -6.042 5.136 1.00 0.47 H new ATOM 0 HD12 ILE A 5 3.374 -7.228 5.402 1.00 0.47 H new ATOM 0 HD13 ILE A 5 3.191 -5.847 6.509 1.00 0.47 H new ATOM 94 N GLU A 6 7.733 -6.252 6.960 1.00 0.35 N ATOM 95 CA GLU A 6 9.171 -6.248 7.363 1.00 0.40 C ATOM 96 C GLU A 6 9.949 -7.340 6.616 1.00 0.39 C ATOM 97 O GLU A 6 11.095 -7.602 6.923 1.00 1.00 O ATOM 98 CB GLU A 6 9.268 -6.496 8.868 1.00 0.84 C ATOM 99 CG GLU A 6 8.408 -7.709 9.234 1.00 0.52 C ATOM 100 CD GLU A 6 9.191 -8.613 10.189 1.00 0.76 C ATOM 101 OE1 GLU A 6 9.321 -8.209 11.332 1.00 0.96 O ATOM 102 OE2 GLU A 6 9.614 -9.658 9.721 1.00 1.91 O ATOM 0 H GLU A 6 7.354 -7.158 6.685 1.00 0.35 H new ATOM 0 HA GLU A 6 9.604 -5.280 7.111 1.00 0.40 H new ATOM 0 HB2 GLU A 6 10.305 -6.671 9.154 1.00 0.84 H new ATOM 0 HB3 GLU A 6 8.930 -5.617 9.416 1.00 0.84 H new ATOM 0 HG2 GLU A 6 7.479 -7.383 9.702 1.00 0.52 H new ATOM 0 HG3 GLU A 6 8.135 -8.261 8.334 1.00 0.52 H new ATOM 109 N SER A 7 9.313 -7.947 5.651 1.00 0.37 N ATOM 110 CA SER A 7 10.008 -9.024 4.880 1.00 0.24 C ATOM 111 C SER A 7 9.089 -9.568 3.782 1.00 0.24 C ATOM 112 O SER A 7 7.927 -9.221 3.712 1.00 0.23 O ATOM 113 CB SER A 7 10.386 -10.162 5.830 1.00 0.52 C ATOM 114 OG SER A 7 9.236 -10.330 6.644 1.00 0.97 O ATOM 0 H SER A 7 8.354 -7.749 5.364 1.00 0.37 H new ATOM 0 HA SER A 7 10.904 -8.608 4.420 1.00 0.24 H new ATOM 0 HB2 SER A 7 10.624 -11.075 5.284 1.00 0.52 H new ATOM 0 HB3 SER A 7 11.263 -9.909 6.426 1.00 0.52 H new ATOM 0 HG SER A 7 9.451 -10.085 7.568 1.00 0.97 H new ATOM 120 N LYS A 8 9.632 -10.414 2.947 1.00 0.27 N ATOM 121 CA LYS A 8 8.805 -10.992 1.848 1.00 0.27 C ATOM 122 C LYS A 8 7.867 -12.064 2.400 1.00 0.30 C ATOM 123 O LYS A 8 6.693 -12.092 2.086 1.00 0.29 O ATOM 124 CB LYS A 8 9.727 -11.613 0.800 1.00 0.29 C ATOM 125 CG LYS A 8 8.888 -12.109 -0.380 1.00 0.26 C ATOM 126 CD LYS A 8 9.081 -13.619 -0.534 1.00 1.32 C ATOM 127 CE LYS A 8 8.196 -14.125 -1.673 1.00 1.57 C ATOM 128 NZ LYS A 8 8.739 -15.394 -2.232 1.00 1.70 N ATOM 0 H LYS A 8 10.602 -10.727 2.977 1.00 0.27 H new ATOM 0 HA LYS A 8 8.208 -10.200 1.396 1.00 0.27 H new ATOM 0 HB2 LYS A 8 10.456 -10.878 0.459 1.00 0.29 H new ATOM 0 HB3 LYS A 8 10.287 -12.440 1.236 1.00 0.29 H new ATOM 0 HG2 LYS A 8 7.835 -11.880 -0.215 1.00 0.26 H new ATOM 0 HG3 LYS A 8 9.186 -11.597 -1.295 1.00 0.26 H new ATOM 0 HD2 LYS A 8 10.127 -13.845 -0.742 1.00 1.32 H new ATOM 0 HD3 LYS A 8 8.824 -14.127 0.395 1.00 1.32 H new ATOM 0 HE2 LYS A 8 7.181 -14.286 -1.309 1.00 1.57 H new ATOM 0 HE3 LYS A 8 8.137 -13.371 -2.458 1.00 1.57 H new ATOM 0 HZ1 LYS A 8 8.126 -15.724 -3.005 1.00 1.70 H new ATOM 0 HZ2 LYS A 8 9.699 -15.230 -2.598 1.00 1.70 H new ATOM 0 HZ3 LYS A 8 8.773 -16.116 -1.485 1.00 1.70 H new ATOM 142 N THR A 9 8.406 -12.919 3.210 1.00 0.35 N ATOM 143 CA THR A 9 7.568 -13.999 3.799 1.00 0.38 C ATOM 144 C THR A 9 6.289 -13.401 4.365 1.00 0.34 C ATOM 145 O THR A 9 5.230 -13.996 4.299 1.00 0.34 O ATOM 146 CB THR A 9 8.351 -14.690 4.917 1.00 0.45 C ATOM 147 OG1 THR A 9 9.366 -15.431 4.246 1.00 0.53 O ATOM 148 CG2 THR A 9 7.499 -15.732 5.637 1.00 0.71 C ATOM 0 H THR A 9 9.386 -12.922 3.492 1.00 0.35 H new ATOM 0 HA THR A 9 7.313 -14.726 3.028 1.00 0.38 H new ATOM 0 HB THR A 9 8.703 -13.950 5.636 1.00 0.45 H new ATOM 0 HG1 THR A 9 9.915 -15.904 4.905 1.00 0.53 H new ATOM 0 HG21 THR A 9 8.088 -16.202 6.424 1.00 0.71 H new ATOM 0 HG22 THR A 9 6.627 -15.248 6.076 1.00 0.71 H new ATOM 0 HG23 THR A 9 7.173 -16.491 4.925 1.00 0.71 H new ATOM 156 N ALA A 10 6.419 -12.236 4.909 1.00 0.33 N ATOM 157 CA ALA A 10 5.237 -11.555 5.489 1.00 0.31 C ATOM 158 C ALA A 10 4.314 -11.068 4.373 1.00 0.23 C ATOM 159 O ALA A 10 3.153 -11.423 4.323 1.00 0.17 O ATOM 160 CB ALA A 10 5.703 -10.361 6.310 1.00 0.32 C ATOM 0 H ALA A 10 7.296 -11.720 4.979 1.00 0.33 H new ATOM 0 HA ALA A 10 4.693 -12.256 6.123 1.00 0.31 H new ATOM 0 HB1 ALA A 10 4.838 -9.855 6.740 1.00 0.32 H new ATOM 0 HB2 ALA A 10 6.358 -10.704 7.111 1.00 0.32 H new ATOM 0 HB3 ALA A 10 6.247 -9.668 5.668 1.00 0.32 H new ATOM 166 N PHE A 11 4.855 -10.256 3.503 1.00 0.24 N ATOM 167 CA PHE A 11 4.034 -9.734 2.375 1.00 0.18 C ATOM 168 C PHE A 11 3.202 -10.867 1.775 1.00 0.12 C ATOM 169 O PHE A 11 2.108 -10.653 1.305 1.00 0.18 O ATOM 170 CB PHE A 11 4.969 -9.162 1.308 1.00 0.18 C ATOM 171 CG PHE A 11 4.144 -8.525 0.187 1.00 0.15 C ATOM 172 CD1 PHE A 11 3.478 -7.331 0.398 1.00 0.09 C ATOM 173 CD2 PHE A 11 4.054 -9.135 -1.053 1.00 0.21 C ATOM 174 CE1 PHE A 11 2.735 -6.755 -0.615 1.00 0.06 C ATOM 175 CE2 PHE A 11 3.310 -8.558 -2.064 1.00 0.20 C ATOM 176 CZ PHE A 11 2.651 -7.370 -1.846 1.00 0.12 C ATOM 0 H PHE A 11 5.823 -9.935 3.525 1.00 0.24 H new ATOM 0 HA PHE A 11 3.363 -8.955 2.736 1.00 0.18 H new ATOM 0 HB2 PHE A 11 5.632 -8.419 1.752 1.00 0.18 H new ATOM 0 HB3 PHE A 11 5.601 -9.952 0.903 1.00 0.18 H new ATOM 0 HD1 PHE A 11 3.539 -6.846 1.361 1.00 0.09 H new ATOM 0 HD2 PHE A 11 4.569 -10.068 -1.231 1.00 0.21 H new ATOM 0 HE1 PHE A 11 2.219 -5.822 -0.442 1.00 0.06 H new ATOM 0 HE2 PHE A 11 3.245 -9.041 -3.028 1.00 0.20 H new ATOM 0 HZ PHE A 11 2.069 -6.920 -2.637 1.00 0.12 H new ATOM 186 N GLN A 12 3.747 -12.049 1.807 1.00 0.09 N ATOM 187 CA GLN A 12 3.002 -13.215 1.243 1.00 0.16 C ATOM 188 C GLN A 12 1.903 -13.652 2.212 1.00 0.24 C ATOM 189 O GLN A 12 0.828 -14.047 1.806 1.00 0.54 O ATOM 190 CB GLN A 12 3.987 -14.370 1.007 1.00 0.23 C ATOM 191 CG GLN A 12 3.221 -15.662 0.683 1.00 1.70 C ATOM 192 CD GLN A 12 2.202 -15.393 -0.428 1.00 1.76 C ATOM 193 OE1 GLN A 12 1.015 -15.297 -0.189 1.00 2.88 O ATOM 194 NE2 GLN A 12 2.624 -15.269 -1.657 1.00 0.88 N ATOM 0 H GLN A 12 4.666 -12.261 2.194 1.00 0.09 H new ATOM 0 HA GLN A 12 2.538 -12.932 0.298 1.00 0.16 H new ATOM 0 HB2 GLN A 12 4.660 -14.122 0.186 1.00 0.23 H new ATOM 0 HB3 GLN A 12 4.605 -14.517 1.893 1.00 0.23 H new ATOM 0 HG2 GLN A 12 3.917 -16.440 0.371 1.00 1.70 H new ATOM 0 HG3 GLN A 12 2.713 -16.028 1.575 1.00 1.70 H new ATOM 0 HE21 GLN A 12 3.619 -15.348 -1.865 1.00 0.88 H new ATOM 0 HE22 GLN A 12 1.958 -15.093 -2.409 1.00 0.88 H new ATOM 203 N GLU A 13 2.201 -13.569 3.471 1.00 0.26 N ATOM 204 CA GLU A 13 1.197 -13.982 4.496 1.00 0.28 C ATOM 205 C GLU A 13 0.051 -12.969 4.563 1.00 0.10 C ATOM 206 O GLU A 13 -1.104 -13.340 4.654 1.00 0.11 O ATOM 207 CB GLU A 13 1.883 -14.068 5.858 1.00 0.41 C ATOM 208 CG GLU A 13 2.845 -15.259 5.861 1.00 0.37 C ATOM 209 CD GLU A 13 2.273 -16.370 6.743 1.00 0.78 C ATOM 210 OE1 GLU A 13 2.555 -16.319 7.929 1.00 0.79 O ATOM 211 OE2 GLU A 13 1.587 -17.208 6.181 1.00 1.89 O ATOM 0 H GLU A 13 3.091 -13.235 3.841 1.00 0.26 H new ATOM 0 HA GLU A 13 0.786 -14.954 4.222 1.00 0.28 H new ATOM 0 HB2 GLU A 13 2.426 -13.146 6.064 1.00 0.41 H new ATOM 0 HB3 GLU A 13 1.140 -14.183 6.647 1.00 0.41 H new ATOM 0 HG2 GLU A 13 2.992 -15.625 4.845 1.00 0.37 H new ATOM 0 HG3 GLU A 13 3.822 -14.951 6.233 1.00 0.37 H new ATOM 218 N ALA A 14 0.390 -11.709 4.515 1.00 0.17 N ATOM 219 CA ALA A 14 -0.673 -10.664 4.579 1.00 0.17 C ATOM 220 C ALA A 14 -1.710 -10.902 3.478 1.00 0.22 C ATOM 221 O ALA A 14 -2.900 -10.854 3.720 1.00 0.38 O ATOM 222 CB ALA A 14 -0.035 -9.289 4.392 1.00 0.29 C ATOM 0 H ALA A 14 1.345 -11.360 4.435 1.00 0.17 H new ATOM 0 HA ALA A 14 -1.169 -10.713 5.548 1.00 0.17 H new ATOM 0 HB1 ALA A 14 -0.807 -8.521 4.438 1.00 0.29 H new ATOM 0 HB2 ALA A 14 0.696 -9.117 5.182 1.00 0.29 H new ATOM 0 HB3 ALA A 14 0.462 -9.247 3.423 1.00 0.29 H new ATOM 228 N LEU A 15 -1.234 -11.153 2.290 1.00 0.14 N ATOM 229 CA LEU A 15 -2.175 -11.401 1.160 1.00 0.26 C ATOM 230 C LEU A 15 -2.879 -12.749 1.350 1.00 0.36 C ATOM 231 O LEU A 15 -3.843 -13.051 0.675 1.00 0.49 O ATOM 232 CB LEU A 15 -1.389 -11.403 -0.150 1.00 0.23 C ATOM 233 CG LEU A 15 -0.635 -10.073 -0.286 1.00 0.19 C ATOM 234 CD1 LEU A 15 0.174 -10.081 -1.577 1.00 0.13 C ATOM 235 CD2 LEU A 15 -1.631 -8.917 -0.332 1.00 0.27 C ATOM 0 H LEU A 15 -0.243 -11.197 2.053 1.00 0.14 H new ATOM 0 HA LEU A 15 -2.930 -10.615 1.133 1.00 0.26 H new ATOM 0 HB2 LEU A 15 -0.687 -12.237 -0.166 1.00 0.23 H new ATOM 0 HB3 LEU A 15 -2.065 -11.540 -0.994 1.00 0.23 H new ATOM 0 HG LEU A 15 0.029 -9.949 0.569 1.00 0.19 H new ATOM 0 HD11 LEU A 15 0.711 -9.137 -1.676 1.00 0.13 H new ATOM 0 HD12 LEU A 15 0.888 -10.904 -1.554 1.00 0.13 H new ATOM 0 HD13 LEU A 15 -0.497 -10.207 -2.426 1.00 0.13 H new ATOM 0 HD21 LEU A 15 -1.091 -7.975 -0.429 1.00 0.27 H new ATOM 0 HD22 LEU A 15 -2.296 -9.043 -1.186 1.00 0.27 H new ATOM 0 HD23 LEU A 15 -2.218 -8.906 0.586 1.00 0.27 H new ATOM 247 N ASP A 16 -2.380 -13.528 2.268 1.00 0.33 N ATOM 248 CA ASP A 16 -3.011 -14.857 2.525 1.00 0.46 C ATOM 249 C ASP A 16 -4.016 -14.741 3.669 1.00 0.44 C ATOM 250 O ASP A 16 -4.985 -15.471 3.729 1.00 0.43 O ATOM 251 CB ASP A 16 -1.928 -15.869 2.897 1.00 0.50 C ATOM 252 CG ASP A 16 -2.575 -17.237 3.127 1.00 0.83 C ATOM 253 OD1 ASP A 16 -3.307 -17.645 2.240 1.00 0.45 O ATOM 254 OD2 ASP A 16 -2.301 -17.796 4.176 1.00 2.28 O ATOM 0 H ASP A 16 -1.570 -13.307 2.848 1.00 0.33 H new ATOM 0 HA ASP A 16 -3.529 -15.190 1.626 1.00 0.46 H new ATOM 0 HB2 ASP A 16 -1.185 -15.934 2.102 1.00 0.50 H new ATOM 0 HB3 ASP A 16 -1.404 -15.545 3.796 1.00 0.50 H new ATOM 259 N ALA A 17 -3.756 -13.819 4.548 1.00 0.46 N ATOM 260 CA ALA A 17 -4.679 -13.614 5.703 1.00 0.46 C ATOM 261 C ALA A 17 -5.567 -12.397 5.441 1.00 0.43 C ATOM 262 O ALA A 17 -6.352 -12.001 6.277 1.00 0.41 O ATOM 263 CB ALA A 17 -3.854 -13.382 6.968 1.00 0.56 C ATOM 0 H ALA A 17 -2.947 -13.198 4.521 1.00 0.46 H new ATOM 0 HA ALA A 17 -5.307 -14.496 5.831 1.00 0.46 H new ATOM 0 HB1 ALA A 17 -4.522 -13.231 7.816 1.00 0.56 H new ATOM 0 HB2 ALA A 17 -3.222 -14.250 7.154 1.00 0.56 H new ATOM 0 HB3 ALA A 17 -3.229 -12.499 6.838 1.00 0.56 H new ATOM 269 N ALA A 18 -5.417 -11.831 4.274 1.00 0.47 N ATOM 270 CA ALA A 18 -6.236 -10.636 3.926 1.00 0.45 C ATOM 271 C ALA A 18 -7.575 -11.070 3.328 1.00 0.39 C ATOM 272 O ALA A 18 -8.356 -10.249 2.889 1.00 0.34 O ATOM 273 CB ALA A 18 -5.478 -9.802 2.899 1.00 0.54 C ATOM 0 H ALA A 18 -4.768 -12.142 3.552 1.00 0.47 H new ATOM 0 HA ALA A 18 -6.422 -10.052 4.827 1.00 0.45 H new ATOM 0 HB1 ALA A 18 -6.068 -8.924 2.636 1.00 0.54 H new ATOM 0 HB2 ALA A 18 -4.524 -9.485 3.320 1.00 0.54 H new ATOM 0 HB3 ALA A 18 -5.299 -10.400 2.005 1.00 0.54 H new ATOM 279 N GLY A 19 -7.813 -12.350 3.324 1.00 0.44 N ATOM 280 CA GLY A 19 -9.092 -12.849 2.752 1.00 0.46 C ATOM 281 C GLY A 19 -9.132 -12.579 1.248 1.00 0.46 C ATOM 282 O GLY A 19 -8.381 -13.162 0.491 1.00 0.46 O ATOM 0 H GLY A 19 -7.184 -13.066 3.688 1.00 0.44 H new ATOM 0 HA2 GLY A 19 -9.192 -13.918 2.941 1.00 0.46 H new ATOM 0 HA3 GLY A 19 -9.934 -12.359 3.240 1.00 0.46 H new ATOM 286 N ASP A 20 -10.007 -11.698 0.848 1.00 0.47 N ATOM 287 CA ASP A 20 -10.109 -11.371 -0.608 1.00 0.48 C ATOM 288 C ASP A 20 -10.377 -9.875 -0.817 1.00 0.45 C ATOM 289 O ASP A 20 -10.130 -9.351 -1.884 1.00 0.44 O ATOM 290 CB ASP A 20 -11.250 -12.178 -1.220 1.00 0.55 C ATOM 291 CG ASP A 20 -11.004 -12.342 -2.720 1.00 1.25 C ATOM 292 OD1 ASP A 20 -10.571 -11.365 -3.307 1.00 2.47 O ATOM 293 OD2 ASP A 20 -11.262 -13.435 -3.193 1.00 1.86 O ATOM 0 H ASP A 20 -10.651 -11.193 1.457 1.00 0.47 H new ATOM 0 HA ASP A 20 -9.164 -11.623 -1.090 1.00 0.48 H new ATOM 0 HB2 ASP A 20 -11.317 -13.155 -0.742 1.00 0.55 H new ATOM 0 HB3 ASP A 20 -12.201 -11.673 -1.049 1.00 0.55 H new ATOM 298 N LYS A 21 -10.885 -9.223 0.203 1.00 0.45 N ATOM 299 CA LYS A 21 -11.166 -7.758 0.076 1.00 0.44 C ATOM 300 C LYS A 21 -10.023 -7.074 -0.677 1.00 0.37 C ATOM 301 O LYS A 21 -8.936 -7.604 -0.757 1.00 0.38 O ATOM 302 CB LYS A 21 -11.284 -7.143 1.473 1.00 0.50 C ATOM 303 CG LYS A 21 -12.392 -7.852 2.260 1.00 0.63 C ATOM 304 CD LYS A 21 -12.179 -7.595 3.755 1.00 0.89 C ATOM 305 CE LYS A 21 -13.366 -8.158 4.537 1.00 0.99 C ATOM 306 NZ LYS A 21 -14.580 -7.323 4.317 1.00 1.80 N ATOM 0 H LYS A 21 -11.115 -9.636 1.107 1.00 0.45 H new ATOM 0 HA LYS A 21 -12.097 -7.617 -0.473 1.00 0.44 H new ATOM 0 HB2 LYS A 21 -10.335 -7.233 2.002 1.00 0.50 H new ATOM 0 HB3 LYS A 21 -11.505 -6.079 1.394 1.00 0.50 H new ATOM 0 HG2 LYS A 21 -13.370 -7.484 1.950 1.00 0.63 H new ATOM 0 HG3 LYS A 21 -12.375 -8.922 2.055 1.00 0.63 H new ATOM 0 HD2 LYS A 21 -11.253 -8.064 4.088 1.00 0.89 H new ATOM 0 HD3 LYS A 21 -12.080 -6.526 3.942 1.00 0.89 H new ATOM 0 HE2 LYS A 21 -13.561 -9.184 4.224 1.00 0.99 H new ATOM 0 HE3 LYS A 21 -13.127 -8.189 5.600 1.00 0.99 H new ATOM 0 HZ1 LYS A 21 -15.276 -7.519 5.064 1.00 1.80 H new ATOM 0 HZ2 LYS A 21 -14.318 -6.317 4.342 1.00 1.80 H new ATOM 0 HZ3 LYS A 21 -14.994 -7.550 3.390 1.00 1.80 H new ATOM 320 N LEU A 22 -10.289 -5.920 -1.219 1.00 0.34 N ATOM 321 CA LEU A 22 -9.212 -5.208 -1.963 1.00 0.37 C ATOM 322 C LEU A 22 -7.998 -5.017 -1.050 1.00 0.29 C ATOM 323 O LEU A 22 -8.141 -4.913 0.154 1.00 0.38 O ATOM 324 CB LEU A 22 -9.736 -3.843 -2.425 1.00 0.40 C ATOM 325 CG LEU A 22 -8.664 -3.133 -3.272 1.00 1.14 C ATOM 326 CD1 LEU A 22 -8.376 -3.949 -4.537 1.00 1.89 C ATOM 327 CD2 LEU A 22 -9.181 -1.751 -3.675 1.00 1.23 C ATOM 0 H LEU A 22 -11.190 -5.444 -1.181 1.00 0.34 H new ATOM 0 HA LEU A 22 -8.915 -5.795 -2.832 1.00 0.37 H new ATOM 0 HB2 LEU A 22 -10.648 -3.972 -3.009 1.00 0.40 H new ATOM 0 HB3 LEU A 22 -9.994 -3.231 -1.561 1.00 0.40 H new ATOM 0 HG LEU A 22 -7.748 -3.036 -2.689 1.00 1.14 H new ATOM 0 HD11 LEU A 22 -7.617 -3.442 -5.132 1.00 1.89 H new ATOM 0 HD12 LEU A 22 -8.016 -4.939 -4.257 1.00 1.89 H new ATOM 0 HD13 LEU A 22 -9.290 -4.047 -5.122 1.00 1.89 H new ATOM 0 HD21 LEU A 22 -8.427 -1.241 -4.275 1.00 1.23 H new ATOM 0 HD22 LEU A 22 -10.096 -1.860 -4.257 1.00 1.23 H new ATOM 0 HD23 LEU A 22 -9.389 -1.165 -2.780 1.00 1.23 H new ATOM 339 N VAL A 23 -6.831 -4.982 -1.640 1.00 0.12 N ATOM 340 CA VAL A 23 -5.596 -4.800 -0.822 1.00 0.07 C ATOM 341 C VAL A 23 -4.689 -3.767 -1.508 1.00 0.08 C ATOM 342 O VAL A 23 -4.018 -4.074 -2.474 1.00 0.14 O ATOM 343 CB VAL A 23 -4.869 -6.162 -0.720 1.00 0.12 C ATOM 344 CG1 VAL A 23 -4.194 -6.340 0.651 1.00 0.22 C ATOM 345 CG2 VAL A 23 -5.882 -7.293 -0.902 1.00 0.32 C ATOM 0 H VAL A 23 -6.681 -5.071 -2.645 1.00 0.12 H new ATOM 0 HA VAL A 23 -5.847 -4.445 0.178 1.00 0.07 H new ATOM 0 HB VAL A 23 -4.105 -6.189 -1.497 1.00 0.12 H new ATOM 0 HG11 VAL A 23 -3.693 -7.307 0.687 1.00 0.22 H new ATOM 0 HG12 VAL A 23 -3.462 -5.547 0.802 1.00 0.22 H new ATOM 0 HG13 VAL A 23 -4.948 -6.292 1.437 1.00 0.22 H new ATOM 0 HG21 VAL A 23 -5.372 -8.254 -0.830 1.00 0.32 H new ATOM 0 HG22 VAL A 23 -6.644 -7.228 -0.125 1.00 0.32 H new ATOM 0 HG23 VAL A 23 -6.354 -7.205 -1.881 1.00 0.32 H new ATOM 355 N VAL A 24 -4.689 -2.564 -0.988 1.00 0.07 N ATOM 356 CA VAL A 24 -3.854 -1.485 -1.613 1.00 0.12 C ATOM 357 C VAL A 24 -2.580 -1.239 -0.797 1.00 0.16 C ATOM 358 O VAL A 24 -2.642 -0.900 0.369 1.00 0.41 O ATOM 359 CB VAL A 24 -4.677 -0.203 -1.672 1.00 0.18 C ATOM 360 CG1 VAL A 24 -3.842 0.901 -2.315 1.00 0.25 C ATOM 361 CG2 VAL A 24 -5.926 -0.449 -2.520 1.00 0.20 C ATOM 0 H VAL A 24 -5.224 -2.282 -0.167 1.00 0.07 H new ATOM 0 HA VAL A 24 -3.562 -1.796 -2.616 1.00 0.12 H new ATOM 0 HB VAL A 24 -4.968 0.096 -0.665 1.00 0.18 H new ATOM 0 HG11 VAL A 24 -4.426 1.820 -2.359 1.00 0.25 H new ATOM 0 HG12 VAL A 24 -2.944 1.070 -1.721 1.00 0.25 H new ATOM 0 HG13 VAL A 24 -3.559 0.602 -3.324 1.00 0.25 H new ATOM 0 HG21 VAL A 24 -6.520 0.464 -2.567 1.00 0.20 H new ATOM 0 HG22 VAL A 24 -5.630 -0.741 -3.528 1.00 0.20 H new ATOM 0 HG23 VAL A 24 -6.520 -1.245 -2.071 1.00 0.20 H new ATOM 371 N VAL A 25 -1.448 -1.394 -1.440 1.00 0.18 N ATOM 372 CA VAL A 25 -0.152 -1.193 -0.717 1.00 0.15 C ATOM 373 C VAL A 25 0.391 0.217 -0.932 1.00 0.16 C ATOM 374 O VAL A 25 0.119 0.850 -1.933 1.00 0.18 O ATOM 375 CB VAL A 25 0.871 -2.203 -1.233 1.00 0.13 C ATOM 376 CG1 VAL A 25 2.189 -2.007 -0.482 1.00 0.17 C ATOM 377 CG2 VAL A 25 0.359 -3.619 -0.983 1.00 0.13 C ATOM 0 H VAL A 25 -1.364 -1.648 -2.424 1.00 0.18 H new ATOM 0 HA VAL A 25 -0.330 -1.335 0.349 1.00 0.15 H new ATOM 0 HB VAL A 25 1.026 -2.054 -2.302 1.00 0.13 H new ATOM 0 HG11 VAL A 25 2.925 -2.725 -0.845 1.00 0.17 H new ATOM 0 HG12 VAL A 25 2.556 -0.995 -0.650 1.00 0.17 H new ATOM 0 HG13 VAL A 25 2.027 -2.162 0.585 1.00 0.17 H new ATOM 0 HG21 VAL A 25 1.089 -4.340 -1.351 1.00 0.13 H new ATOM 0 HG22 VAL A 25 0.209 -3.768 0.086 1.00 0.13 H new ATOM 0 HG23 VAL A 25 -0.587 -3.761 -1.505 1.00 0.13 H new ATOM 387 N ASP A 26 1.154 0.673 0.031 1.00 0.20 N ATOM 388 CA ASP A 26 1.765 2.030 -0.071 1.00 0.19 C ATOM 389 C ASP A 26 3.284 1.908 0.057 1.00 0.15 C ATOM 390 O ASP A 26 3.830 1.963 1.143 1.00 0.12 O ATOM 391 CB ASP A 26 1.225 2.912 1.051 1.00 0.21 C ATOM 392 CG ASP A 26 1.945 4.263 1.024 1.00 0.18 C ATOM 393 OD1 ASP A 26 2.006 4.821 -0.058 1.00 1.14 O ATOM 394 OD2 ASP A 26 2.392 4.659 2.088 1.00 0.87 O ATOM 0 H ASP A 26 1.379 0.161 0.884 1.00 0.20 H new ATOM 0 HA ASP A 26 1.516 2.476 -1.034 1.00 0.19 H new ATOM 0 HB2 ASP A 26 0.151 3.057 0.931 1.00 0.21 H new ATOM 0 HB3 ASP A 26 1.375 2.426 2.015 1.00 0.21 H new ATOM 399 N PHE A 27 3.929 1.729 -1.056 1.00 0.14 N ATOM 400 CA PHE A 27 5.411 1.591 -1.039 1.00 0.12 C ATOM 401 C PHE A 27 6.072 2.960 -0.876 1.00 0.13 C ATOM 402 O PHE A 27 6.227 3.697 -1.829 1.00 0.14 O ATOM 403 CB PHE A 27 5.850 0.961 -2.352 1.00 0.14 C ATOM 404 CG PHE A 27 5.477 -0.522 -2.345 1.00 0.12 C ATOM 405 CD1 PHE A 27 6.323 -1.451 -1.769 1.00 0.12 C ATOM 406 CD2 PHE A 27 4.288 -0.957 -2.914 1.00 0.09 C ATOM 407 CE1 PHE A 27 5.997 -2.789 -1.766 1.00 0.12 C ATOM 408 CE2 PHE A 27 3.966 -2.304 -2.904 1.00 0.08 C ATOM 409 CZ PHE A 27 4.821 -3.214 -2.333 1.00 0.10 C ATOM 0 H PHE A 27 3.497 1.672 -1.978 1.00 0.14 H new ATOM 0 HA PHE A 27 5.711 0.964 -0.200 1.00 0.12 H new ATOM 0 HB2 PHE A 27 5.370 1.466 -3.190 1.00 0.14 H new ATOM 0 HB3 PHE A 27 6.926 1.078 -2.484 1.00 0.14 H new ATOM 0 HD1 PHE A 27 7.248 -1.125 -1.317 1.00 0.12 H new ATOM 0 HD2 PHE A 27 3.613 -0.244 -3.365 1.00 0.09 H new ATOM 0 HE1 PHE A 27 6.668 -3.506 -1.316 1.00 0.12 H new ATOM 0 HE2 PHE A 27 3.040 -2.640 -3.347 1.00 0.08 H new ATOM 0 HZ PHE A 27 4.568 -4.264 -2.330 1.00 0.10 H new ATOM 419 N SER A 28 6.449 3.271 0.333 1.00 0.11 N ATOM 420 CA SER A 28 7.101 4.588 0.579 1.00 0.13 C ATOM 421 C SER A 28 8.048 4.495 1.774 1.00 0.09 C ATOM 422 O SER A 28 8.290 3.425 2.298 1.00 0.15 O ATOM 423 CB SER A 28 6.028 5.634 0.866 1.00 0.25 C ATOM 424 OG SER A 28 5.781 5.505 2.259 1.00 0.70 O ATOM 0 H SER A 28 6.336 2.677 1.154 1.00 0.11 H new ATOM 0 HA SER A 28 7.673 4.872 -0.305 1.00 0.13 H new ATOM 0 HB2 SER A 28 6.372 6.637 0.613 1.00 0.25 H new ATOM 0 HB3 SER A 28 5.126 5.450 0.283 1.00 0.25 H new ATOM 0 HG SER A 28 5.096 6.151 2.531 1.00 0.70 H new ATOM 430 N ALA A 29 8.563 5.623 2.177 1.00 0.15 N ATOM 431 CA ALA A 29 9.497 5.630 3.339 1.00 0.31 C ATOM 432 C ALA A 29 8.751 6.050 4.612 1.00 0.46 C ATOM 433 O ALA A 29 8.221 7.142 4.694 1.00 0.33 O ATOM 434 CB ALA A 29 10.624 6.618 3.058 1.00 0.44 C ATOM 0 H ALA A 29 8.380 6.534 1.756 1.00 0.15 H new ATOM 0 HA ALA A 29 9.905 4.630 3.485 1.00 0.31 H new ATOM 0 HB1 ALA A 29 11.314 6.632 3.901 1.00 0.44 H new ATOM 0 HB2 ALA A 29 11.158 6.315 2.157 1.00 0.44 H new ATOM 0 HB3 ALA A 29 10.207 7.615 2.914 1.00 0.44 H new ATOM 440 N THR A 30 8.729 5.173 5.582 1.00 0.76 N ATOM 441 CA THR A 30 8.022 5.503 6.857 1.00 0.97 C ATOM 442 C THR A 30 8.979 6.194 7.831 1.00 1.13 C ATOM 443 O THR A 30 8.604 6.546 8.932 1.00 1.55 O ATOM 444 CB THR A 30 7.499 4.209 7.488 1.00 1.33 C ATOM 445 OG1 THR A 30 6.648 4.638 8.546 1.00 1.47 O ATOM 446 CG2 THR A 30 8.621 3.425 8.164 1.00 1.57 C ATOM 0 H THR A 30 9.165 4.251 5.549 1.00 0.76 H new ATOM 0 HA THR A 30 7.192 6.176 6.643 1.00 0.97 H new ATOM 0 HB THR A 30 7.028 3.587 6.727 1.00 1.33 H new ATOM 0 HG1 THR A 30 7.058 5.400 9.007 1.00 1.47 H new ATOM 0 HG21 THR A 30 8.215 2.513 8.601 1.00 1.57 H new ATOM 0 HG22 THR A 30 9.380 3.167 7.426 1.00 1.57 H new ATOM 0 HG23 THR A 30 9.070 4.035 8.948 1.00 1.57 H new ATOM 454 N TRP A 31 10.197 6.374 7.399 1.00 1.01 N ATOM 455 CA TRP A 31 11.209 7.037 8.276 1.00 1.15 C ATOM 456 C TRP A 31 11.452 8.474 7.802 1.00 0.94 C ATOM 457 O TRP A 31 11.506 9.394 8.595 1.00 0.99 O ATOM 458 CB TRP A 31 12.510 6.249 8.185 1.00 1.34 C ATOM 459 CG TRP A 31 12.876 6.089 6.710 1.00 1.14 C ATOM 460 CD1 TRP A 31 12.468 5.079 5.948 1.00 1.01 C ATOM 461 CD2 TRP A 31 13.602 6.944 6.011 1.00 1.10 C ATOM 462 NE1 TRP A 31 12.984 5.362 4.745 1.00 0.87 N ATOM 463 CE2 TRP A 31 13.715 6.523 4.698 1.00 0.96 C ATOM 464 CE3 TRP A 31 14.217 8.126 6.401 1.00 1.23 C ATOM 465 CZ2 TRP A 31 14.426 7.269 3.790 1.00 1.01 C ATOM 466 CZ3 TRP A 31 14.932 8.868 5.485 1.00 1.26 C ATOM 467 CH2 TRP A 31 15.037 8.440 4.181 1.00 1.18 C ATOM 0 H TRP A 31 10.537 6.092 6.479 1.00 1.01 H new ATOM 0 HA TRP A 31 10.848 7.062 9.304 1.00 1.15 H new ATOM 0 HB2 TRP A 31 13.306 6.768 8.719 1.00 1.34 H new ATOM 0 HB3 TRP A 31 12.395 5.272 8.655 1.00 1.34 H new ATOM 0 HD1 TRP A 31 11.863 4.231 6.232 1.00 1.01 H new ATOM 0 HE1 TRP A 31 12.845 4.764 3.930 1.00 0.87 H new ATOM 0 HE3 TRP A 31 14.135 8.465 7.423 1.00 1.23 H new ATOM 0 HZ2 TRP A 31 14.506 6.936 2.766 1.00 1.01 H new ATOM 0 HZ3 TRP A 31 15.410 9.787 5.791 1.00 1.26 H new ATOM 0 HH2 TRP A 31 15.598 9.022 3.465 1.00 1.18 H new ATOM 478 N CYS A 32 11.593 8.632 6.513 1.00 0.75 N ATOM 479 CA CYS A 32 11.837 9.996 5.958 1.00 0.68 C ATOM 480 C CYS A 32 10.784 10.978 6.493 1.00 0.56 C ATOM 481 O CYS A 32 9.853 10.582 7.166 1.00 0.56 O ATOM 482 CB CYS A 32 11.759 9.932 4.435 1.00 0.59 C ATOM 483 SG CYS A 32 11.186 11.410 3.563 1.00 0.80 S ATOM 0 H CYS A 32 11.550 7.881 5.824 1.00 0.75 H new ATOM 0 HA CYS A 32 12.824 10.343 6.263 1.00 0.68 H new ATOM 0 HB2 CYS A 32 12.751 9.683 4.058 1.00 0.59 H new ATOM 0 HB3 CYS A 32 11.099 9.107 4.167 1.00 0.59 H new ATOM 0 HG CYS A 32 10.423 11.060 2.570 1.00 0.80 H new ATOM 489 N GLY A 33 10.953 12.237 6.181 1.00 0.52 N ATOM 490 CA GLY A 33 9.970 13.251 6.669 1.00 0.44 C ATOM 491 C GLY A 33 8.902 13.542 5.598 1.00 0.39 C ATOM 492 O GLY A 33 7.765 13.130 5.725 1.00 0.31 O ATOM 0 H GLY A 33 11.719 12.604 5.616 1.00 0.52 H new ATOM 0 HA2 GLY A 33 9.490 12.889 7.578 1.00 0.44 H new ATOM 0 HA3 GLY A 33 10.491 14.173 6.929 1.00 0.44 H new ATOM 496 N PRO A 34 9.300 14.247 4.560 1.00 0.46 N ATOM 497 CA PRO A 34 8.388 14.599 3.461 1.00 0.46 C ATOM 498 C PRO A 34 7.601 13.375 2.978 1.00 0.43 C ATOM 499 O PRO A 34 6.541 13.506 2.397 1.00 0.41 O ATOM 500 CB PRO A 34 9.296 15.136 2.349 1.00 0.57 C ATOM 501 CG PRO A 34 10.727 15.284 2.955 1.00 0.62 C ATOM 502 CD PRO A 34 10.679 14.726 4.392 1.00 0.57 C ATOM 0 HA PRO A 34 7.643 15.331 3.773 1.00 0.46 H new ATOM 0 HB2 PRO A 34 9.307 14.455 1.498 1.00 0.57 H new ATOM 0 HB3 PRO A 34 8.931 16.096 1.984 1.00 0.57 H new ATOM 0 HG2 PRO A 34 11.456 14.739 2.356 1.00 0.62 H new ATOM 0 HG3 PRO A 34 11.036 16.329 2.959 1.00 0.62 H new ATOM 0 HD2 PRO A 34 11.398 13.918 4.527 1.00 0.57 H new ATOM 0 HD3 PRO A 34 10.923 15.496 5.124 1.00 0.57 H new ATOM 510 N CYS A 35 8.132 12.211 3.227 1.00 0.49 N ATOM 511 CA CYS A 35 7.419 10.975 2.791 1.00 0.46 C ATOM 512 C CYS A 35 6.329 10.615 3.803 1.00 0.43 C ATOM 513 O CYS A 35 5.200 10.360 3.436 1.00 0.49 O ATOM 514 CB CYS A 35 8.417 9.827 2.693 1.00 0.48 C ATOM 515 SG CYS A 35 9.673 9.921 1.392 1.00 0.31 S ATOM 0 H CYS A 35 9.019 12.061 3.708 1.00 0.49 H new ATOM 0 HA CYS A 35 6.959 11.150 1.818 1.00 0.46 H new ATOM 0 HB2 CYS A 35 8.930 9.745 3.651 1.00 0.48 H new ATOM 0 HB3 CYS A 35 7.855 8.904 2.552 1.00 0.48 H new ATOM 0 HG CYS A 35 10.856 9.930 1.931 1.00 0.31 H new ATOM 521 N LYS A 36 6.690 10.599 5.062 1.00 0.44 N ATOM 522 CA LYS A 36 5.680 10.254 6.098 1.00 0.39 C ATOM 523 C LYS A 36 4.848 11.490 6.463 1.00 0.53 C ATOM 524 O LYS A 36 4.128 11.488 7.437 1.00 0.80 O ATOM 525 CB LYS A 36 6.386 9.716 7.350 1.00 0.44 C ATOM 526 CG LYS A 36 5.356 9.011 8.249 1.00 0.50 C ATOM 527 CD LYS A 36 5.358 9.635 9.648 1.00 0.86 C ATOM 528 CE LYS A 36 6.739 9.454 10.280 1.00 0.54 C ATOM 529 NZ LYS A 36 7.402 10.773 10.473 1.00 1.63 N ATOM 0 H LYS A 36 7.626 10.807 5.410 1.00 0.44 H new ATOM 0 HA LYS A 36 5.015 9.488 5.700 1.00 0.39 H new ATOM 0 HB2 LYS A 36 7.175 9.020 7.066 1.00 0.44 H new ATOM 0 HB3 LYS A 36 6.862 10.533 7.893 1.00 0.44 H new ATOM 0 HG2 LYS A 36 4.362 9.092 7.808 1.00 0.50 H new ATOM 0 HG3 LYS A 36 5.589 7.948 8.317 1.00 0.50 H new ATOM 0 HD2 LYS A 36 5.110 10.695 9.587 1.00 0.86 H new ATOM 0 HD3 LYS A 36 4.596 9.165 10.270 1.00 0.86 H new ATOM 0 HE2 LYS A 36 6.642 8.945 11.239 1.00 0.54 H new ATOM 0 HE3 LYS A 36 7.356 8.820 9.644 1.00 0.54 H new ATOM 0 HZ1 LYS A 36 7.995 10.742 11.327 1.00 1.63 H new ATOM 0 HZ2 LYS A 36 7.996 10.987 9.647 1.00 1.63 H new ATOM 0 HZ3 LYS A 36 6.679 11.513 10.580 1.00 1.63 H new ATOM 543 N MET A 37 4.987 12.531 5.688 1.00 0.39 N ATOM 544 CA MET A 37 4.186 13.760 5.972 1.00 0.52 C ATOM 545 C MET A 37 2.783 13.587 5.391 1.00 0.55 C ATOM 546 O MET A 37 1.818 14.114 5.907 1.00 0.70 O ATOM 547 CB MET A 37 4.862 14.965 5.323 1.00 0.56 C ATOM 548 CG MET A 37 5.035 16.069 6.367 1.00 1.29 C ATOM 549 SD MET A 37 6.156 15.739 7.748 1.00 3.33 S ATOM 550 CE MET A 37 6.676 17.450 8.032 1.00 3.57 C ATOM 0 H MET A 37 5.610 12.587 4.882 1.00 0.39 H new ATOM 0 HA MET A 37 4.120 13.918 7.048 1.00 0.52 H new ATOM 0 HB2 MET A 37 5.832 14.678 4.917 1.00 0.56 H new ATOM 0 HB3 MET A 37 4.262 15.328 4.489 1.00 0.56 H new ATOM 0 HG2 MET A 37 5.386 16.965 5.855 1.00 1.29 H new ATOM 0 HG3 MET A 37 4.053 16.301 6.778 1.00 1.29 H new ATOM 0 HE1 MET A 37 7.385 17.482 8.859 1.00 3.57 H new ATOM 0 HE2 MET A 37 7.151 17.840 7.132 1.00 3.57 H new ATOM 0 HE3 MET A 37 5.806 18.059 8.276 1.00 3.57 H new ATOM 560 N ILE A 38 2.713 12.848 4.318 1.00 0.47 N ATOM 561 CA ILE A 38 1.392 12.596 3.666 1.00 0.55 C ATOM 562 C ILE A 38 0.769 11.316 4.248 1.00 0.43 C ATOM 563 O ILE A 38 0.022 10.623 3.588 1.00 0.33 O ATOM 564 CB ILE A 38 1.615 12.433 2.157 1.00 0.63 C ATOM 565 CG1 ILE A 38 2.262 13.710 1.600 1.00 0.82 C ATOM 566 CG2 ILE A 38 0.274 12.212 1.464 1.00 0.91 C ATOM 567 CD1 ILE A 38 2.925 13.402 0.253 1.00 1.04 C ATOM 0 H ILE A 38 3.512 12.407 3.863 1.00 0.47 H new ATOM 0 HA ILE A 38 0.715 13.431 3.849 1.00 0.55 H new ATOM 0 HB ILE A 38 2.266 11.577 1.977 1.00 0.63 H new ATOM 0 HG12 ILE A 38 1.509 14.488 1.477 1.00 0.82 H new ATOM 0 HG13 ILE A 38 3.003 14.092 2.303 1.00 0.82 H new ATOM 0 HG21 ILE A 38 0.433 12.096 0.392 1.00 0.91 H new ATOM 0 HG22 ILE A 38 -0.196 11.312 1.860 1.00 0.91 H new ATOM 0 HG23 ILE A 38 -0.374 13.070 1.644 1.00 0.91 H new ATOM 0 HD11 ILE A 38 3.384 14.308 -0.142 1.00 1.04 H new ATOM 0 HD12 ILE A 38 3.690 12.638 0.390 1.00 1.04 H new ATOM 0 HD13 ILE A 38 2.173 13.041 -0.448 1.00 1.04 H new ATOM 579 N LYS A 39 1.094 11.042 5.479 1.00 0.56 N ATOM 580 CA LYS A 39 0.549 9.817 6.136 1.00 0.46 C ATOM 581 C LYS A 39 -0.901 10.021 6.632 1.00 0.38 C ATOM 582 O LYS A 39 -1.722 9.156 6.468 1.00 0.29 O ATOM 583 CB LYS A 39 1.433 9.435 7.330 1.00 0.54 C ATOM 584 CG LYS A 39 1.878 7.962 7.218 1.00 0.21 C ATOM 585 CD LYS A 39 2.277 7.456 8.614 1.00 0.48 C ATOM 586 CE LYS A 39 3.225 6.250 8.498 1.00 0.66 C ATOM 587 NZ LYS A 39 3.897 5.998 9.805 1.00 0.46 N ATOM 0 H LYS A 39 1.711 11.610 6.060 1.00 0.56 H new ATOM 0 HA LYS A 39 0.545 9.022 5.391 1.00 0.46 H new ATOM 0 HB2 LYS A 39 2.308 10.084 7.366 1.00 0.54 H new ATOM 0 HB3 LYS A 39 0.885 9.587 8.260 1.00 0.54 H new ATOM 0 HG2 LYS A 39 1.069 7.353 6.813 1.00 0.21 H new ATOM 0 HG3 LYS A 39 2.719 7.873 6.530 1.00 0.21 H new ATOM 0 HD2 LYS A 39 2.763 8.256 9.172 1.00 0.48 H new ATOM 0 HD3 LYS A 39 1.385 7.173 9.174 1.00 0.48 H new ATOM 0 HE2 LYS A 39 2.666 5.366 8.192 1.00 0.66 H new ATOM 0 HE3 LYS A 39 3.972 6.438 7.727 1.00 0.66 H new ATOM 0 HZ1 LYS A 39 4.822 5.552 9.640 1.00 0.46 H new ATOM 0 HZ2 LYS A 39 4.032 6.900 10.305 1.00 0.46 H new ATOM 0 HZ3 LYS A 39 3.306 5.367 10.383 1.00 0.46 H new ATOM 601 N PRO A 40 -1.191 11.160 7.242 1.00 0.43 N ATOM 602 CA PRO A 40 -2.547 11.416 7.748 1.00 0.42 C ATOM 603 C PRO A 40 -3.559 11.374 6.598 1.00 0.32 C ATOM 604 O PRO A 40 -4.742 11.571 6.793 1.00 0.38 O ATOM 605 CB PRO A 40 -2.486 12.807 8.387 1.00 0.52 C ATOM 606 CG PRO A 40 -0.992 13.255 8.362 1.00 0.60 C ATOM 607 CD PRO A 40 -0.231 12.254 7.473 1.00 0.54 C ATOM 0 HA PRO A 40 -2.868 10.664 8.469 1.00 0.42 H new ATOM 0 HB2 PRO A 40 -3.109 13.512 7.837 1.00 0.52 H new ATOM 0 HB3 PRO A 40 -2.863 12.779 9.409 1.00 0.52 H new ATOM 0 HG2 PRO A 40 -0.900 14.267 7.967 1.00 0.60 H new ATOM 0 HG3 PRO A 40 -0.577 13.267 9.370 1.00 0.60 H new ATOM 0 HD2 PRO A 40 0.080 12.713 6.535 1.00 0.54 H new ATOM 0 HD3 PRO A 40 0.672 11.892 7.966 1.00 0.54 H new ATOM 615 N PHE A 41 -3.058 11.116 5.420 1.00 0.23 N ATOM 616 CA PHE A 41 -3.949 11.033 4.232 1.00 0.20 C ATOM 617 C PHE A 41 -4.213 9.560 3.882 1.00 0.20 C ATOM 618 O PHE A 41 -5.346 9.143 3.754 1.00 0.23 O ATOM 619 CB PHE A 41 -3.254 11.724 3.065 1.00 0.21 C ATOM 620 CG PHE A 41 -3.333 13.241 3.256 1.00 0.21 C ATOM 621 CD1 PHE A 41 -2.357 13.909 3.974 1.00 0.21 C ATOM 622 CD2 PHE A 41 -4.382 13.963 2.715 1.00 0.23 C ATOM 623 CE1 PHE A 41 -2.429 15.277 4.145 1.00 0.22 C ATOM 624 CE2 PHE A 41 -4.452 15.331 2.888 1.00 0.25 C ATOM 625 CZ PHE A 41 -3.476 15.986 3.602 1.00 0.23 C ATOM 0 H PHE A 41 -2.068 10.959 5.231 1.00 0.23 H new ATOM 0 HA PHE A 41 -4.902 11.518 4.442 1.00 0.20 H new ATOM 0 HB2 PHE A 41 -2.213 11.407 3.007 1.00 0.21 H new ATOM 0 HB3 PHE A 41 -3.726 11.439 2.125 1.00 0.21 H new ATOM 0 HD1 PHE A 41 -1.534 13.357 4.403 1.00 0.21 H new ATOM 0 HD2 PHE A 41 -5.151 13.453 2.154 1.00 0.23 H new ATOM 0 HE1 PHE A 41 -1.663 15.791 4.706 1.00 0.22 H new ATOM 0 HE2 PHE A 41 -5.274 15.887 2.462 1.00 0.25 H new ATOM 0 HZ PHE A 41 -3.531 17.056 3.736 1.00 0.23 H new ATOM 635 N PHE A 42 -3.152 8.805 3.735 1.00 0.18 N ATOM 636 CA PHE A 42 -3.313 7.352 3.406 1.00 0.19 C ATOM 637 C PHE A 42 -3.558 6.556 4.693 1.00 0.18 C ATOM 638 O PHE A 42 -4.206 5.528 4.686 1.00 0.18 O ATOM 639 CB PHE A 42 -2.031 6.846 2.735 1.00 0.21 C ATOM 640 CG PHE A 42 -2.160 5.345 2.455 1.00 0.21 C ATOM 641 CD1 PHE A 42 -3.051 4.887 1.501 1.00 0.22 C ATOM 642 CD2 PHE A 42 -1.386 4.424 3.150 1.00 0.21 C ATOM 643 CE1 PHE A 42 -3.171 3.538 1.247 1.00 0.23 C ATOM 644 CE2 PHE A 42 -1.511 3.074 2.892 1.00 0.23 C ATOM 645 CZ PHE A 42 -2.401 2.633 1.943 1.00 0.24 C ATOM 0 H PHE A 42 -2.189 9.127 3.827 1.00 0.18 H new ATOM 0 HA PHE A 42 -4.161 7.222 2.734 1.00 0.19 H new ATOM 0 HB2 PHE A 42 -1.857 7.387 1.805 1.00 0.21 H new ATOM 0 HB3 PHE A 42 -1.172 7.034 3.379 1.00 0.21 H new ATOM 0 HD1 PHE A 42 -3.657 5.592 0.951 1.00 0.22 H new ATOM 0 HD2 PHE A 42 -0.683 4.766 3.895 1.00 0.21 H new ATOM 0 HE1 PHE A 42 -3.870 3.190 0.501 1.00 0.23 H new ATOM 0 HE2 PHE A 42 -0.908 2.363 3.437 1.00 0.23 H new ATOM 0 HZ PHE A 42 -2.497 1.576 1.743 1.00 0.24 H new ATOM 655 N HIS A 43 -3.026 7.062 5.765 1.00 0.20 N ATOM 656 CA HIS A 43 -3.188 6.378 7.081 1.00 0.24 C ATOM 657 C HIS A 43 -4.550 6.719 7.702 1.00 0.28 C ATOM 658 O HIS A 43 -4.952 6.125 8.682 1.00 0.34 O ATOM 659 CB HIS A 43 -2.072 6.850 8.016 1.00 0.27 C ATOM 660 CG HIS A 43 -1.992 5.918 9.223 1.00 0.36 C ATOM 661 ND1 HIS A 43 -2.724 4.917 9.401 1.00 0.22 N ATOM 662 CD2 HIS A 43 -1.148 5.957 10.322 1.00 0.73 C ATOM 663 CE1 HIS A 43 -2.439 4.322 10.483 1.00 0.34 C ATOM 664 NE2 HIS A 43 -1.442 4.915 11.142 1.00 0.68 N ATOM 0 H HIS A 43 -2.482 7.925 5.791 1.00 0.20 H new ATOM 0 HA HIS A 43 -3.134 5.299 6.936 1.00 0.24 H new ATOM 0 HB2 HIS A 43 -1.119 6.860 7.487 1.00 0.27 H new ATOM 0 HB3 HIS A 43 -2.265 7.871 8.344 1.00 0.27 H new ATOM 0 HD2 HIS A 43 -0.381 6.696 10.498 1.00 0.73 H new ATOM 0 HE1 HIS A 43 -2.946 3.435 10.832 1.00 0.34 H new ATOM 0 HE2 HIS A 43 -1.013 4.654 12.030 1.00 0.68 H new ATOM 672 N SER A 44 -5.228 7.670 7.119 1.00 0.30 N ATOM 673 CA SER A 44 -6.561 8.062 7.672 1.00 0.36 C ATOM 674 C SER A 44 -7.673 7.222 7.037 1.00 0.42 C ATOM 675 O SER A 44 -8.795 7.219 7.504 1.00 0.51 O ATOM 676 CB SER A 44 -6.808 9.540 7.377 1.00 0.35 C ATOM 677 OG SER A 44 -6.417 9.693 6.020 1.00 1.60 O ATOM 0 H SER A 44 -4.924 8.188 6.295 1.00 0.30 H new ATOM 0 HA SER A 44 -6.565 7.889 8.748 1.00 0.36 H new ATOM 0 HB2 SER A 44 -7.855 9.806 7.522 1.00 0.35 H new ATOM 0 HB3 SER A 44 -6.222 10.181 8.035 1.00 0.35 H new ATOM 0 HG SER A 44 -5.882 10.509 5.924 1.00 1.60 H new ATOM 683 N LEU A 45 -7.337 6.528 5.990 1.00 0.37 N ATOM 684 CA LEU A 45 -8.363 5.683 5.314 1.00 0.42 C ATOM 685 C LEU A 45 -8.454 4.317 6.002 1.00 0.53 C ATOM 686 O LEU A 45 -9.333 3.530 5.714 1.00 0.60 O ATOM 687 CB LEU A 45 -7.970 5.490 3.851 1.00 0.59 C ATOM 688 CG LEU A 45 -7.591 6.843 3.250 1.00 0.56 C ATOM 689 CD1 LEU A 45 -7.290 6.666 1.760 1.00 0.83 C ATOM 690 CD2 LEU A 45 -8.762 7.814 3.414 1.00 0.62 C ATOM 0 H LEU A 45 -6.406 6.507 5.574 1.00 0.37 H new ATOM 0 HA LEU A 45 -9.333 6.177 5.375 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -7.132 4.797 3.775 1.00 0.59 H new ATOM 0 HB3 LEU A 45 -8.798 5.050 3.295 1.00 0.59 H new ATOM 0 HG LEU A 45 -6.712 7.237 3.759 1.00 0.56 H new ATOM 0 HD11 LEU A 45 -7.019 7.629 1.327 1.00 0.83 H new ATOM 0 HD12 LEU A 45 -6.463 5.967 1.636 1.00 0.83 H new ATOM 0 HD13 LEU A 45 -8.173 6.276 1.254 1.00 0.83 H new ATOM 0 HD21 LEU A 45 -8.496 8.781 2.986 1.00 0.62 H new ATOM 0 HD22 LEU A 45 -9.638 7.418 2.899 1.00 0.62 H new ATOM 0 HD23 LEU A 45 -8.988 7.936 4.473 1.00 0.62 H new ATOM 702 N SER A 46 -7.539 4.069 6.897 1.00 0.58 N ATOM 703 CA SER A 46 -7.552 2.762 7.615 1.00 0.76 C ATOM 704 C SER A 46 -8.894 2.553 8.320 1.00 0.79 C ATOM 705 O SER A 46 -9.559 1.556 8.118 1.00 1.21 O ATOM 706 CB SER A 46 -6.432 2.749 8.648 1.00 0.79 C ATOM 707 OG SER A 46 -5.877 1.451 8.525 1.00 1.82 O ATOM 0 H SER A 46 -6.789 4.707 7.161 1.00 0.58 H new ATOM 0 HA SER A 46 -7.406 1.959 6.893 1.00 0.76 H new ATOM 0 HB2 SER A 46 -5.691 3.522 8.445 1.00 0.79 H new ATOM 0 HB3 SER A 46 -6.813 2.928 9.654 1.00 0.79 H new ATOM 0 HG SER A 46 -4.977 1.442 8.912 1.00 1.82 H new ATOM 713 N GLU A 47 -9.263 3.501 9.134 1.00 0.61 N ATOM 714 CA GLU A 47 -10.554 3.377 9.869 1.00 0.76 C ATOM 715 C GLU A 47 -11.735 3.664 8.934 1.00 0.68 C ATOM 716 O GLU A 47 -12.685 2.910 8.881 1.00 0.92 O ATOM 717 CB GLU A 47 -10.561 4.381 11.021 1.00 0.85 C ATOM 718 CG GLU A 47 -9.367 4.099 11.937 1.00 0.95 C ATOM 719 CD GLU A 47 -9.835 4.100 13.393 1.00 1.02 C ATOM 720 OE1 GLU A 47 -10.213 3.029 13.840 1.00 2.23 O ATOM 721 OE2 GLU A 47 -9.788 5.169 13.976 1.00 0.74 O ATOM 0 H GLU A 47 -8.732 4.351 9.322 1.00 0.61 H new ATOM 0 HA GLU A 47 -10.654 2.361 10.251 1.00 0.76 H new ATOM 0 HB2 GLU A 47 -10.506 5.398 10.634 1.00 0.85 H new ATOM 0 HB3 GLU A 47 -11.492 4.303 11.582 1.00 0.85 H new ATOM 0 HG2 GLU A 47 -8.922 3.136 11.687 1.00 0.95 H new ATOM 0 HG3 GLU A 47 -8.595 4.855 11.791 1.00 0.95 H new ATOM 728 N LYS A 48 -11.646 4.750 8.218 1.00 0.43 N ATOM 729 CA LYS A 48 -12.758 5.109 7.288 1.00 0.39 C ATOM 730 C LYS A 48 -13.173 3.892 6.449 1.00 0.29 C ATOM 731 O LYS A 48 -14.269 3.387 6.591 1.00 0.36 O ATOM 732 CB LYS A 48 -12.288 6.235 6.367 1.00 0.36 C ATOM 733 CG LYS A 48 -13.414 7.270 6.205 1.00 0.61 C ATOM 734 CD LYS A 48 -13.396 8.255 7.390 1.00 1.60 C ATOM 735 CE LYS A 48 -12.142 9.140 7.322 1.00 3.07 C ATOM 736 NZ LYS A 48 -11.204 8.796 8.428 1.00 4.68 N ATOM 0 H LYS A 48 -10.860 5.400 8.234 1.00 0.43 H new ATOM 0 HA LYS A 48 -13.621 5.436 7.869 1.00 0.39 H new ATOM 0 HB2 LYS A 48 -11.399 6.711 6.781 1.00 0.36 H new ATOM 0 HB3 LYS A 48 -12.009 5.831 5.394 1.00 0.36 H new ATOM 0 HG2 LYS A 48 -13.289 7.813 5.268 1.00 0.61 H new ATOM 0 HG3 LYS A 48 -14.379 6.766 6.155 1.00 0.61 H new ATOM 0 HD2 LYS A 48 -14.291 8.877 7.370 1.00 1.60 H new ATOM 0 HD3 LYS A 48 -13.412 7.705 8.331 1.00 1.60 H new ATOM 0 HE2 LYS A 48 -11.646 9.006 6.361 1.00 3.07 H new ATOM 0 HE3 LYS A 48 -12.426 10.190 7.390 1.00 3.07 H new ATOM 0 HZ1 LYS A 48 -10.813 9.669 8.836 1.00 4.68 H new ATOM 0 HZ2 LYS A 48 -11.714 8.268 9.164 1.00 4.68 H new ATOM 0 HZ3 LYS A 48 -10.429 8.211 8.056 1.00 4.68 H new ATOM 750 N TYR A 49 -12.292 3.450 5.595 1.00 0.15 N ATOM 751 CA TYR A 49 -12.630 2.273 4.740 1.00 0.13 C ATOM 752 C TYR A 49 -12.272 0.971 5.464 1.00 0.29 C ATOM 753 O TYR A 49 -11.160 0.490 5.367 1.00 0.42 O ATOM 754 CB TYR A 49 -11.846 2.362 3.432 1.00 0.14 C ATOM 755 CG TYR A 49 -12.593 3.275 2.457 1.00 0.15 C ATOM 756 CD1 TYR A 49 -13.664 2.797 1.730 1.00 0.15 C ATOM 757 CD2 TYR A 49 -12.206 4.589 2.291 1.00 0.24 C ATOM 758 CE1 TYR A 49 -14.338 3.621 0.850 1.00 0.26 C ATOM 759 CE2 TYR A 49 -12.879 5.412 1.412 1.00 0.35 C ATOM 760 CZ TYR A 49 -13.951 4.935 0.685 1.00 0.36 C ATOM 761 OH TYR A 49 -14.623 5.758 -0.195 1.00 0.49 O ATOM 0 H TYR A 49 -11.363 3.846 5.451 1.00 0.15 H new ATOM 0 HA TYR A 49 -13.700 2.277 4.532 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.846 2.752 3.620 1.00 0.14 H new ATOM 0 HB3 TYR A 49 -11.725 1.369 2.999 1.00 0.14 H new ATOM 0 HD1 TYR A 49 -13.978 1.771 1.850 1.00 0.15 H new ATOM 0 HD2 TYR A 49 -11.369 4.976 2.854 1.00 0.24 H new ATOM 0 HE1 TYR A 49 -15.174 3.234 0.287 1.00 0.26 H new ATOM 0 HE2 TYR A 49 -12.564 6.438 1.292 1.00 0.35 H new ATOM 0 HH TYR A 49 -14.217 6.650 -0.184 1.00 0.49 H new ATOM 771 N SER A 50 -13.224 0.427 6.171 1.00 0.29 N ATOM 772 CA SER A 50 -12.957 -0.845 6.903 1.00 0.44 C ATOM 773 C SER A 50 -13.235 -2.043 5.989 1.00 0.45 C ATOM 774 O SER A 50 -13.001 -3.177 6.357 1.00 0.55 O ATOM 775 CB SER A 50 -13.865 -0.916 8.131 1.00 0.51 C ATOM 776 OG SER A 50 -15.142 -1.238 7.601 1.00 0.65 O ATOM 0 H SER A 50 -14.167 0.803 6.274 1.00 0.29 H new ATOM 0 HA SER A 50 -11.913 -0.872 7.214 1.00 0.44 H new ATOM 0 HB2 SER A 50 -13.523 -1.674 8.836 1.00 0.51 H new ATOM 0 HB3 SER A 50 -13.884 0.033 8.668 1.00 0.51 H new ATOM 0 HG SER A 50 -15.792 -1.305 8.331 1.00 0.65 H new ATOM 782 N ASN A 51 -13.728 -1.761 4.814 1.00 0.39 N ATOM 783 CA ASN A 51 -14.028 -2.867 3.858 1.00 0.46 C ATOM 784 C ASN A 51 -12.810 -3.139 2.970 1.00 0.43 C ATOM 785 O ASN A 51 -12.853 -3.982 2.096 1.00 0.48 O ATOM 786 CB ASN A 51 -15.214 -2.461 2.986 1.00 0.55 C ATOM 787 CG ASN A 51 -15.817 -3.709 2.336 1.00 0.57 C ATOM 788 OD1 ASN A 51 -15.126 -4.510 1.742 1.00 1.13 O ATOM 789 ND2 ASN A 51 -17.103 -3.911 2.427 1.00 1.18 N ATOM 0 H ASN A 51 -13.935 -0.821 4.476 1.00 0.39 H new ATOM 0 HA ASN A 51 -14.268 -3.773 4.415 1.00 0.46 H new ATOM 0 HB2 ASN A 51 -15.966 -1.952 3.589 1.00 0.55 H new ATOM 0 HB3 ASN A 51 -14.891 -1.757 2.219 1.00 0.55 H new ATOM 0 HD21 ASN A 51 -17.521 -4.738 2.000 1.00 1.18 H new ATOM 0 HD22 ASN A 51 -17.690 -3.242 2.925 1.00 1.18 H new ATOM 796 N VAL A 52 -11.750 -2.414 3.217 1.00 0.35 N ATOM 797 CA VAL A 52 -10.512 -2.607 2.402 1.00 0.32 C ATOM 798 C VAL A 52 -9.292 -2.705 3.319 1.00 0.25 C ATOM 799 O VAL A 52 -9.219 -2.037 4.332 1.00 0.36 O ATOM 800 CB VAL A 52 -10.342 -1.411 1.465 1.00 0.40 C ATOM 801 CG1 VAL A 52 -9.082 -1.607 0.615 1.00 0.39 C ATOM 802 CG2 VAL A 52 -11.560 -1.312 0.547 1.00 0.65 C ATOM 0 H VAL A 52 -11.687 -1.700 3.943 1.00 0.35 H new ATOM 0 HA VAL A 52 -10.600 -3.527 1.824 1.00 0.32 H new ATOM 0 HB VAL A 52 -10.249 -0.497 2.051 1.00 0.40 H new ATOM 0 HG11 VAL A 52 -8.958 -0.755 -0.054 1.00 0.39 H new ATOM 0 HG12 VAL A 52 -8.212 -1.686 1.267 1.00 0.39 H new ATOM 0 HG13 VAL A 52 -9.178 -2.520 0.027 1.00 0.39 H new ATOM 0 HG21 VAL A 52 -11.443 -0.460 -0.123 1.00 0.65 H new ATOM 0 HG22 VAL A 52 -11.648 -2.226 -0.040 1.00 0.65 H new ATOM 0 HG23 VAL A 52 -12.459 -1.179 1.149 1.00 0.65 H new ATOM 812 N ILE A 53 -8.360 -3.537 2.947 1.00 0.17 N ATOM 813 CA ILE A 53 -7.138 -3.682 3.786 1.00 0.09 C ATOM 814 C ILE A 53 -6.038 -2.755 3.268 1.00 0.09 C ATOM 815 O ILE A 53 -5.823 -2.645 2.075 1.00 0.24 O ATOM 816 CB ILE A 53 -6.662 -5.129 3.741 1.00 0.14 C ATOM 817 CG1 ILE A 53 -7.603 -5.981 4.599 1.00 0.45 C ATOM 818 CG2 ILE A 53 -5.241 -5.210 4.306 1.00 0.28 C ATOM 819 CD1 ILE A 53 -7.601 -7.416 4.077 1.00 1.18 C ATOM 0 H ILE A 53 -8.390 -4.117 2.108 1.00 0.17 H new ATOM 0 HA ILE A 53 -7.372 -3.410 4.815 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.664 -5.494 2.714 1.00 0.14 H new ATOM 0 HG12 ILE A 53 -7.283 -5.960 5.641 1.00 0.45 H new ATOM 0 HG13 ILE A 53 -8.613 -5.572 4.568 1.00 0.45 H new ATOM 0 HG21 ILE A 53 -4.896 -6.243 4.276 1.00 0.28 H new ATOM 0 HG22 ILE A 53 -4.576 -4.588 3.708 1.00 0.28 H new ATOM 0 HG23 ILE A 53 -5.239 -4.857 5.337 1.00 0.28 H new ATOM 0 HD11 ILE A 53 -8.270 -8.025 4.685 1.00 1.18 H new ATOM 0 HD12 ILE A 53 -7.941 -7.427 3.042 1.00 1.18 H new ATOM 0 HD13 ILE A 53 -6.591 -7.821 4.131 1.00 1.18 H new ATOM 831 N PHE A 54 -5.362 -2.113 4.187 1.00 0.09 N ATOM 832 CA PHE A 54 -4.277 -1.164 3.792 1.00 0.10 C ATOM 833 C PHE A 54 -2.926 -1.613 4.359 1.00 0.11 C ATOM 834 O PHE A 54 -2.824 -1.962 5.519 1.00 0.14 O ATOM 835 CB PHE A 54 -4.627 0.212 4.346 1.00 0.11 C ATOM 836 CG PHE A 54 -5.894 0.720 3.655 1.00 0.13 C ATOM 837 CD1 PHE A 54 -7.143 0.406 4.161 1.00 0.23 C ATOM 838 CD2 PHE A 54 -5.810 1.497 2.514 1.00 0.24 C ATOM 839 CE1 PHE A 54 -8.286 0.861 3.537 1.00 0.29 C ATOM 840 CE2 PHE A 54 -6.955 1.952 1.892 1.00 0.29 C ATOM 841 CZ PHE A 54 -8.191 1.634 2.402 1.00 0.28 C ATOM 0 H PHE A 54 -5.514 -2.205 5.191 1.00 0.09 H new ATOM 0 HA PHE A 54 -4.196 -1.137 2.705 1.00 0.10 H new ATOM 0 HB2 PHE A 54 -4.783 0.156 5.423 1.00 0.11 H new ATOM 0 HB3 PHE A 54 -3.803 0.906 4.179 1.00 0.11 H new ATOM 0 HD1 PHE A 54 -7.224 -0.200 5.051 1.00 0.23 H new ATOM 0 HD2 PHE A 54 -4.842 1.749 2.107 1.00 0.24 H new ATOM 0 HE1 PHE A 54 -9.256 0.610 3.939 1.00 0.29 H new ATOM 0 HE2 PHE A 54 -6.880 2.559 1.002 1.00 0.29 H new ATOM 0 HZ PHE A 54 -9.086 1.990 1.913 1.00 0.28 H new ATOM 851 N LEU A 55 -1.920 -1.594 3.518 1.00 0.10 N ATOM 852 CA LEU A 55 -0.554 -1.998 3.978 1.00 0.11 C ATOM 853 C LEU A 55 0.442 -0.867 3.697 1.00 0.16 C ATOM 854 O LEU A 55 0.208 -0.024 2.852 1.00 0.26 O ATOM 855 CB LEU A 55 -0.097 -3.263 3.235 1.00 0.08 C ATOM 856 CG LEU A 55 -1.306 -4.183 2.971 1.00 0.36 C ATOM 857 CD1 LEU A 55 -2.129 -3.657 1.791 1.00 0.59 C ATOM 858 CD2 LEU A 55 -0.799 -5.584 2.623 1.00 0.29 C ATOM 0 H LEU A 55 -1.985 -1.318 2.538 1.00 0.10 H new ATOM 0 HA LEU A 55 -0.592 -2.201 5.048 1.00 0.11 H new ATOM 0 HB2 LEU A 55 0.376 -2.990 2.292 1.00 0.08 H new ATOM 0 HB3 LEU A 55 0.651 -3.792 3.826 1.00 0.08 H new ATOM 0 HG LEU A 55 -1.931 -4.209 3.864 1.00 0.36 H new ATOM 0 HD11 LEU A 55 -2.979 -4.317 1.617 1.00 0.59 H new ATOM 0 HD12 LEU A 55 -2.489 -2.654 2.017 1.00 0.59 H new ATOM 0 HD13 LEU A 55 -1.505 -3.626 0.898 1.00 0.59 H new ATOM 0 HD21 LEU A 55 -1.648 -6.242 2.435 1.00 0.29 H new ATOM 0 HD22 LEU A 55 -0.174 -5.534 1.731 1.00 0.29 H new ATOM 0 HD23 LEU A 55 -0.214 -5.976 3.455 1.00 0.29 H new ATOM 870 N GLU A 56 1.530 -0.882 4.412 1.00 0.16 N ATOM 871 CA GLU A 56 2.571 0.174 4.214 1.00 0.20 C ATOM 872 C GLU A 56 3.954 -0.479 4.188 1.00 0.15 C ATOM 873 O GLU A 56 4.443 -0.935 5.202 1.00 0.20 O ATOM 874 CB GLU A 56 2.500 1.169 5.370 1.00 0.31 C ATOM 875 CG GLU A 56 3.743 2.061 5.341 1.00 0.59 C ATOM 876 CD GLU A 56 3.414 3.409 5.986 1.00 0.69 C ATOM 877 OE1 GLU A 56 2.679 3.378 6.959 1.00 1.11 O ATOM 878 OE2 GLU A 56 3.918 4.393 5.470 1.00 1.91 O ATOM 0 H GLU A 56 1.748 -1.577 5.126 1.00 0.16 H new ATOM 0 HA GLU A 56 2.396 0.694 3.272 1.00 0.20 H new ATOM 0 HB2 GLU A 56 1.599 1.777 5.288 1.00 0.31 H new ATOM 0 HB3 GLU A 56 2.441 0.638 6.320 1.00 0.31 H new ATOM 0 HG2 GLU A 56 4.562 1.580 5.875 1.00 0.59 H new ATOM 0 HG3 GLU A 56 4.075 2.208 4.313 1.00 0.59 H new ATOM 885 N VAL A 57 4.560 -0.509 3.034 1.00 0.17 N ATOM 886 CA VAL A 57 5.904 -1.154 2.939 1.00 0.16 C ATOM 887 C VAL A 57 7.022 -0.121 3.097 1.00 0.15 C ATOM 888 O VAL A 57 6.981 0.942 2.507 1.00 0.20 O ATOM 889 CB VAL A 57 6.035 -1.842 1.584 1.00 0.16 C ATOM 890 CG1 VAL A 57 7.475 -2.329 1.411 1.00 0.12 C ATOM 891 CG2 VAL A 57 5.087 -3.041 1.536 1.00 0.17 C ATOM 0 H VAL A 57 4.193 -0.122 2.165 1.00 0.17 H new ATOM 0 HA VAL A 57 5.997 -1.884 3.743 1.00 0.16 H new ATOM 0 HB VAL A 57 5.783 -1.144 0.786 1.00 0.16 H new ATOM 0 HG11 VAL A 57 7.579 -2.823 0.445 1.00 0.12 H new ATOM 0 HG12 VAL A 57 8.155 -1.478 1.459 1.00 0.12 H new ATOM 0 HG13 VAL A 57 7.719 -3.034 2.206 1.00 0.12 H new ATOM 0 HG21 VAL A 57 5.176 -3.537 0.569 1.00 0.17 H new ATOM 0 HG22 VAL A 57 5.347 -3.742 2.329 1.00 0.17 H new ATOM 0 HG23 VAL A 57 4.061 -2.700 1.675 1.00 0.17 H new ATOM 901 N ASP A 58 8.001 -0.463 3.892 1.00 0.16 N ATOM 902 CA ASP A 58 9.140 0.474 4.105 1.00 0.18 C ATOM 903 C ASP A 58 10.280 0.137 3.140 1.00 0.17 C ATOM 904 O ASP A 58 10.976 -0.844 3.313 1.00 0.13 O ATOM 905 CB ASP A 58 9.636 0.339 5.544 1.00 0.22 C ATOM 906 CG ASP A 58 10.626 1.467 5.845 1.00 0.23 C ATOM 907 OD1 ASP A 58 10.877 2.226 4.925 1.00 0.88 O ATOM 908 OD2 ASP A 58 11.074 1.504 6.979 1.00 1.15 O ATOM 0 H ASP A 58 8.061 -1.346 4.400 1.00 0.16 H new ATOM 0 HA ASP A 58 8.808 1.496 3.921 1.00 0.18 H new ATOM 0 HB2 ASP A 58 8.795 0.383 6.236 1.00 0.22 H new ATOM 0 HB3 ASP A 58 10.116 -0.629 5.686 1.00 0.22 H new ATOM 913 N VAL A 59 10.447 0.958 2.141 1.00 0.24 N ATOM 914 CA VAL A 59 11.534 0.699 1.152 1.00 0.23 C ATOM 915 C VAL A 59 12.907 0.765 1.832 1.00 0.29 C ATOM 916 O VAL A 59 13.927 0.621 1.189 1.00 0.62 O ATOM 917 CB VAL A 59 11.464 1.755 0.051 1.00 0.17 C ATOM 918 CG1 VAL A 59 10.096 1.684 -0.633 1.00 0.18 C ATOM 919 CG2 VAL A 59 11.641 3.141 0.678 1.00 0.18 C ATOM 0 H VAL A 59 9.884 1.790 1.966 1.00 0.24 H new ATOM 0 HA VAL A 59 11.401 -0.297 0.729 1.00 0.23 H new ATOM 0 HB VAL A 59 12.250 1.576 -0.683 1.00 0.17 H new ATOM 0 HG11 VAL A 59 10.043 2.437 -1.420 1.00 0.18 H new ATOM 0 HG12 VAL A 59 9.958 0.694 -1.068 1.00 0.18 H new ATOM 0 HG13 VAL A 59 9.312 1.870 0.101 1.00 0.18 H new ATOM 0 HG21 VAL A 59 11.592 3.902 -0.101 1.00 0.18 H new ATOM 0 HG22 VAL A 59 10.848 3.315 1.405 1.00 0.18 H new ATOM 0 HG23 VAL A 59 12.609 3.194 1.177 1.00 0.18 H new ATOM 929 N ASP A 60 12.903 0.983 3.118 1.00 0.25 N ATOM 930 CA ASP A 60 14.201 1.064 3.849 1.00 0.24 C ATOM 931 C ASP A 60 14.605 -0.317 4.378 1.00 0.22 C ATOM 932 O ASP A 60 15.691 -0.792 4.114 1.00 0.26 O ATOM 933 CB ASP A 60 14.054 2.033 5.020 1.00 0.25 C ATOM 934 CG ASP A 60 15.331 2.007 5.862 1.00 0.54 C ATOM 935 OD1 ASP A 60 16.377 2.208 5.266 1.00 0.69 O ATOM 936 OD2 ASP A 60 15.188 1.786 7.053 1.00 1.98 O ATOM 0 H ASP A 60 12.068 1.107 3.690 1.00 0.25 H new ATOM 0 HA ASP A 60 14.973 1.416 3.165 1.00 0.24 H new ATOM 0 HB2 ASP A 60 13.869 3.042 4.651 1.00 0.25 H new ATOM 0 HB3 ASP A 60 13.196 1.755 5.632 1.00 0.25 H new ATOM 941 N ASP A 61 13.720 -0.931 5.114 1.00 0.19 N ATOM 942 CA ASP A 61 14.040 -2.279 5.672 1.00 0.17 C ATOM 943 C ASP A 61 13.538 -3.381 4.733 1.00 0.16 C ATOM 944 O ASP A 61 14.073 -4.472 4.713 1.00 0.44 O ATOM 945 CB ASP A 61 13.364 -2.425 7.035 1.00 0.31 C ATOM 946 CG ASP A 61 13.673 -3.810 7.606 1.00 0.18 C ATOM 947 OD1 ASP A 61 14.842 -4.159 7.577 1.00 0.80 O ATOM 948 OD2 ASP A 61 12.723 -4.441 8.039 1.00 0.89 O ATOM 0 H ASP A 61 12.798 -0.564 5.352 1.00 0.19 H new ATOM 0 HA ASP A 61 15.121 -2.375 5.776 1.00 0.17 H new ATOM 0 HB2 ASP A 61 13.720 -1.651 7.715 1.00 0.31 H new ATOM 0 HB3 ASP A 61 12.287 -2.292 6.936 1.00 0.31 H new ATOM 953 N CYS A 62 12.521 -3.070 3.974 1.00 0.19 N ATOM 954 CA CYS A 62 11.964 -4.090 3.033 1.00 0.14 C ATOM 955 C CYS A 62 12.468 -3.837 1.609 1.00 0.14 C ATOM 956 O CYS A 62 11.693 -3.779 0.675 1.00 0.37 O ATOM 957 CB CYS A 62 10.442 -3.999 3.052 1.00 0.32 C ATOM 958 SG CYS A 62 9.639 -3.795 4.661 1.00 0.47 S ATOM 0 H CYS A 62 12.054 -2.163 3.963 1.00 0.19 H new ATOM 0 HA CYS A 62 12.288 -5.082 3.348 1.00 0.14 H new ATOM 0 HB2 CYS A 62 10.147 -3.161 2.420 1.00 0.32 H new ATOM 0 HB3 CYS A 62 10.045 -4.903 2.590 1.00 0.32 H new ATOM 0 HG CYS A 62 8.351 -3.733 4.498 1.00 0.47 H new ATOM 964 N GLN A 63 13.756 -3.690 1.472 1.00 0.26 N ATOM 965 CA GLN A 63 14.322 -3.440 0.119 1.00 0.40 C ATOM 966 C GLN A 63 13.994 -4.603 -0.822 1.00 0.26 C ATOM 967 O GLN A 63 14.124 -4.488 -2.027 1.00 0.38 O ATOM 968 CB GLN A 63 15.838 -3.284 0.231 1.00 0.62 C ATOM 969 CG GLN A 63 16.173 -1.817 0.504 1.00 0.57 C ATOM 970 CD GLN A 63 16.190 -1.047 -0.819 1.00 1.97 C ATOM 971 OE1 GLN A 63 15.221 -1.028 -1.552 1.00 3.19 O ATOM 972 NE2 GLN A 63 17.270 -0.402 -1.162 1.00 2.41 N ATOM 0 H GLN A 63 14.436 -3.732 2.231 1.00 0.26 H new ATOM 0 HA GLN A 63 13.883 -2.529 -0.288 1.00 0.40 H new ATOM 0 HB2 GLN A 63 16.222 -3.913 1.034 1.00 0.62 H new ATOM 0 HB3 GLN A 63 16.319 -3.614 -0.690 1.00 0.62 H new ATOM 0 HG2 GLN A 63 15.436 -1.384 1.181 1.00 0.57 H new ATOM 0 HG3 GLN A 63 17.143 -1.739 0.996 1.00 0.57 H new ATOM 0 HE21 GLN A 63 18.087 -0.414 -0.551 1.00 2.41 H new ATOM 0 HE22 GLN A 63 17.298 0.115 -2.041 1.00 2.41 H new ATOM 981 N ASP A 64 13.570 -5.697 -0.256 1.00 0.11 N ATOM 982 CA ASP A 64 13.238 -6.874 -1.099 1.00 0.22 C ATOM 983 C ASP A 64 11.858 -6.705 -1.726 1.00 0.25 C ATOM 984 O ASP A 64 11.716 -6.673 -2.932 1.00 0.60 O ATOM 985 CB ASP A 64 13.264 -8.139 -0.239 1.00 0.35 C ATOM 986 CG ASP A 64 12.749 -7.817 1.166 1.00 0.21 C ATOM 987 OD1 ASP A 64 13.477 -7.132 1.864 1.00 1.55 O ATOM 988 OD2 ASP A 64 11.660 -8.277 1.460 1.00 1.34 O ATOM 0 H ASP A 64 13.440 -5.826 0.747 1.00 0.11 H new ATOM 0 HA ASP A 64 13.976 -6.959 -1.897 1.00 0.22 H new ATOM 0 HB2 ASP A 64 12.647 -8.913 -0.695 1.00 0.35 H new ATOM 0 HB3 ASP A 64 14.279 -8.532 -0.184 1.00 0.35 H new ATOM 993 N VAL A 65 10.874 -6.602 -0.893 1.00 0.19 N ATOM 994 CA VAL A 65 9.491 -6.433 -1.409 1.00 0.14 C ATOM 995 C VAL A 65 9.451 -5.309 -2.436 1.00 0.08 C ATOM 996 O VAL A 65 8.818 -5.423 -3.468 1.00 0.08 O ATOM 997 CB VAL A 65 8.571 -6.101 -0.253 1.00 0.08 C ATOM 998 CG1 VAL A 65 7.115 -6.238 -0.707 1.00 0.20 C ATOM 999 CG2 VAL A 65 8.835 -7.074 0.898 1.00 0.15 C ATOM 0 H VAL A 65 10.962 -6.627 0.123 1.00 0.19 H new ATOM 0 HA VAL A 65 9.166 -7.357 -1.887 1.00 0.14 H new ATOM 0 HB VAL A 65 8.756 -5.080 0.080 1.00 0.08 H new ATOM 0 HG11 VAL A 65 6.451 -5.999 0.124 1.00 0.20 H new ATOM 0 HG12 VAL A 65 6.925 -5.552 -1.532 1.00 0.20 H new ATOM 0 HG13 VAL A 65 6.931 -7.261 -1.036 1.00 0.20 H new ATOM 0 HG21 VAL A 65 8.175 -6.838 1.732 1.00 0.15 H new ATOM 0 HG22 VAL A 65 8.646 -8.094 0.563 1.00 0.15 H new ATOM 0 HG23 VAL A 65 9.872 -6.984 1.220 1.00 0.15 H new ATOM 1009 N ALA A 66 10.127 -4.247 -2.130 1.00 0.06 N ATOM 1010 CA ALA A 66 10.154 -3.099 -3.072 1.00 0.06 C ATOM 1011 C ALA A 66 10.745 -3.546 -4.402 1.00 0.07 C ATOM 1012 O ALA A 66 10.189 -3.299 -5.453 1.00 0.10 O ATOM 1013 CB ALA A 66 11.008 -1.980 -2.480 1.00 0.16 C ATOM 0 H ALA A 66 10.662 -4.121 -1.271 1.00 0.06 H new ATOM 0 HA ALA A 66 9.140 -2.735 -3.234 1.00 0.06 H new ATOM 0 HB1 ALA A 66 11.030 -1.136 -3.169 1.00 0.16 H new ATOM 0 HB2 ALA A 66 10.582 -1.661 -1.529 1.00 0.16 H new ATOM 0 HB3 ALA A 66 12.023 -2.343 -2.319 1.00 0.16 H new ATOM 1019 N SER A 67 11.861 -4.197 -4.320 1.00 0.10 N ATOM 1020 CA SER A 67 12.515 -4.688 -5.560 1.00 0.16 C ATOM 1021 C SER A 67 11.611 -5.711 -6.248 1.00 0.20 C ATOM 1022 O SER A 67 11.895 -6.166 -7.337 1.00 0.25 O ATOM 1023 CB SER A 67 13.850 -5.340 -5.200 1.00 0.23 C ATOM 1024 OG SER A 67 14.520 -5.471 -6.445 1.00 0.98 O ATOM 0 H SER A 67 12.351 -4.412 -3.452 1.00 0.10 H new ATOM 0 HA SER A 67 12.688 -3.852 -6.238 1.00 0.16 H new ATOM 0 HB2 SER A 67 14.419 -4.724 -4.504 1.00 0.23 H new ATOM 0 HB3 SER A 67 13.704 -6.309 -4.722 1.00 0.23 H new ATOM 0 HG SER A 67 13.865 -5.647 -7.152 1.00 0.98 H new ATOM 1030 N GLU A 68 10.537 -6.049 -5.588 1.00 0.28 N ATOM 1031 CA GLU A 68 9.597 -7.032 -6.172 1.00 0.36 C ATOM 1032 C GLU A 68 8.604 -6.316 -7.081 1.00 0.39 C ATOM 1033 O GLU A 68 8.202 -6.833 -8.105 1.00 0.44 O ATOM 1034 CB GLU A 68 8.847 -7.739 -5.046 1.00 0.36 C ATOM 1035 CG GLU A 68 8.550 -9.178 -5.466 1.00 0.17 C ATOM 1036 CD GLU A 68 7.761 -9.877 -4.358 1.00 1.38 C ATOM 1037 OE1 GLU A 68 6.683 -9.384 -4.068 1.00 2.06 O ATOM 1038 OE2 GLU A 68 8.280 -10.864 -3.863 1.00 2.18 O ATOM 0 H GLU A 68 10.275 -5.685 -4.672 1.00 0.28 H new ATOM 0 HA GLU A 68 10.152 -7.765 -6.758 1.00 0.36 H new ATOM 0 HB2 GLU A 68 9.443 -7.730 -4.134 1.00 0.36 H new ATOM 0 HB3 GLU A 68 7.918 -7.213 -4.825 1.00 0.36 H new ATOM 0 HG2 GLU A 68 7.980 -9.187 -6.395 1.00 0.17 H new ATOM 0 HG3 GLU A 68 9.481 -9.712 -5.658 1.00 0.17 H new ATOM 1045 N CYS A 69 8.236 -5.139 -6.683 1.00 0.36 N ATOM 1046 CA CYS A 69 7.276 -4.351 -7.504 1.00 0.40 C ATOM 1047 C CYS A 69 8.041 -3.536 -8.548 1.00 0.38 C ATOM 1048 O CYS A 69 7.453 -2.851 -9.362 1.00 0.41 O ATOM 1049 CB CYS A 69 6.493 -3.407 -6.592 1.00 0.38 C ATOM 1050 SG CYS A 69 5.106 -4.107 -5.665 1.00 0.50 S ATOM 0 H CYS A 69 8.555 -4.685 -5.827 1.00 0.36 H new ATOM 0 HA CYS A 69 6.587 -5.027 -8.011 1.00 0.40 H new ATOM 0 HB2 CYS A 69 7.192 -2.973 -5.877 1.00 0.38 H new ATOM 0 HB3 CYS A 69 6.112 -2.588 -7.202 1.00 0.38 H new ATOM 0 HG CYS A 69 5.017 -3.520 -4.508 1.00 0.50 H new ATOM 1056 N GLU A 70 9.343 -3.630 -8.502 1.00 0.35 N ATOM 1057 CA GLU A 70 10.167 -2.871 -9.484 1.00 0.38 C ATOM 1058 C GLU A 70 9.812 -1.387 -9.429 1.00 0.39 C ATOM 1059 O GLU A 70 9.664 -0.743 -10.449 1.00 0.40 O ATOM 1060 CB GLU A 70 9.900 -3.409 -10.886 1.00 0.43 C ATOM 1061 CG GLU A 70 11.054 -3.007 -11.806 1.00 1.00 C ATOM 1062 CD GLU A 70 10.515 -2.761 -13.216 1.00 1.73 C ATOM 1063 OE1 GLU A 70 10.360 -3.748 -13.916 1.00 1.73 O ATOM 1064 OE2 GLU A 70 10.288 -1.600 -13.513 1.00 2.60 O ATOM 0 H GLU A 70 9.867 -4.194 -7.833 1.00 0.35 H new ATOM 0 HA GLU A 70 11.222 -2.991 -9.238 1.00 0.38 H new ATOM 0 HB2 GLU A 70 9.801 -4.494 -10.860 1.00 0.43 H new ATOM 0 HB3 GLU A 70 8.959 -3.012 -11.268 1.00 0.43 H new ATOM 0 HG2 GLU A 70 11.539 -2.107 -11.428 1.00 1.00 H new ATOM 0 HG3 GLU A 70 11.809 -3.792 -11.825 1.00 1.00 H new ATOM 1071 N VAL A 71 9.684 -0.876 -8.240 1.00 0.39 N ATOM 1072 CA VAL A 71 9.337 0.567 -8.098 1.00 0.42 C ATOM 1073 C VAL A 71 10.399 1.430 -8.781 1.00 0.85 C ATOM 1074 O VAL A 71 11.480 0.964 -9.081 1.00 1.26 O ATOM 1075 CB VAL A 71 9.271 0.928 -6.615 1.00 0.25 C ATOM 1076 CG1 VAL A 71 8.117 1.904 -6.380 1.00 0.44 C ATOM 1077 CG2 VAL A 71 9.025 -0.340 -5.797 1.00 0.63 C ATOM 0 H VAL A 71 9.803 -1.387 -7.365 1.00 0.39 H new ATOM 0 HA VAL A 71 8.370 0.750 -8.567 1.00 0.42 H new ATOM 0 HB VAL A 71 10.211 1.389 -6.311 1.00 0.25 H new ATOM 0 HG11 VAL A 71 8.069 2.162 -5.322 1.00 0.44 H new ATOM 0 HG12 VAL A 71 8.280 2.808 -6.967 1.00 0.44 H new ATOM 0 HG13 VAL A 71 7.179 1.438 -6.683 1.00 0.44 H new ATOM 0 HG21 VAL A 71 8.977 -0.086 -4.738 1.00 0.63 H new ATOM 0 HG22 VAL A 71 8.083 -0.794 -6.104 1.00 0.63 H new ATOM 0 HG23 VAL A 71 9.839 -1.045 -5.965 1.00 0.63 H new ATOM 1087 N LYS A 72 10.061 2.670 -9.015 1.00 0.92 N ATOM 1088 CA LYS A 72 11.035 3.594 -9.671 1.00 1.38 C ATOM 1089 C LYS A 72 11.074 4.933 -8.929 1.00 0.94 C ATOM 1090 O LYS A 72 11.871 5.795 -9.239 1.00 0.86 O ATOM 1091 CB LYS A 72 10.603 3.828 -11.117 1.00 2.06 C ATOM 1092 CG LYS A 72 11.473 4.930 -11.727 1.00 3.08 C ATOM 1093 CD LYS A 72 11.480 4.783 -13.250 1.00 3.74 C ATOM 1094 CE LYS A 72 12.635 3.865 -13.661 1.00 3.45 C ATOM 1095 NZ LYS A 72 12.573 3.570 -15.120 1.00 4.36 N ATOM 0 H LYS A 72 9.158 3.083 -8.782 1.00 0.92 H new ATOM 0 HA LYS A 72 12.029 3.147 -9.646 1.00 1.38 H new ATOM 0 HB2 LYS A 72 10.703 2.908 -11.693 1.00 2.06 H new ATOM 0 HB3 LYS A 72 9.552 4.115 -11.154 1.00 2.06 H new ATOM 0 HG2 LYS A 72 11.088 5.910 -11.446 1.00 3.08 H new ATOM 0 HG3 LYS A 72 12.489 4.864 -11.339 1.00 3.08 H new ATOM 0 HD2 LYS A 72 10.531 4.369 -13.592 1.00 3.74 H new ATOM 0 HD3 LYS A 72 11.590 5.760 -13.721 1.00 3.74 H new ATOM 0 HE2 LYS A 72 13.587 4.338 -13.420 1.00 3.45 H new ATOM 0 HE3 LYS A 72 12.588 2.935 -13.094 1.00 3.45 H new ATOM 0 HZ1 LYS A 72 13.363 2.947 -15.382 1.00 4.36 H new ATOM 0 HZ2 LYS A 72 11.672 3.099 -15.341 1.00 4.36 H new ATOM 0 HZ3 LYS A 72 12.640 4.458 -15.657 1.00 4.36 H new ATOM 1109 N CYS A 73 10.208 5.080 -7.961 1.00 0.67 N ATOM 1110 CA CYS A 73 10.183 6.359 -7.192 1.00 0.24 C ATOM 1111 C CYS A 73 9.088 6.318 -6.128 1.00 0.22 C ATOM 1112 O CYS A 73 7.962 5.950 -6.402 1.00 0.51 O ATOM 1113 CB CYS A 73 9.918 7.515 -8.154 1.00 0.39 C ATOM 1114 SG CYS A 73 8.807 7.200 -9.548 1.00 0.86 S ATOM 0 H CYS A 73 9.525 4.380 -7.672 1.00 0.67 H new ATOM 0 HA CYS A 73 11.145 6.499 -6.698 1.00 0.24 H new ATOM 0 HB2 CYS A 73 9.509 8.345 -7.578 1.00 0.39 H new ATOM 0 HB3 CYS A 73 10.876 7.846 -8.555 1.00 0.39 H new ATOM 0 HG CYS A 73 8.689 8.280 -10.262 1.00 0.86 H new ATOM 1120 N THR A 74 9.444 6.697 -4.934 1.00 0.23 N ATOM 1121 CA THR A 74 8.440 6.696 -3.835 1.00 0.23 C ATOM 1122 C THR A 74 7.834 8.112 -3.697 1.00 0.25 C ATOM 1123 O THR A 74 8.476 9.086 -4.035 1.00 0.28 O ATOM 1124 CB THR A 74 9.151 6.308 -2.529 1.00 0.28 C ATOM 1125 OG1 THR A 74 10.368 7.047 -2.552 1.00 0.30 O ATOM 1126 CG2 THR A 74 9.577 4.839 -2.535 1.00 0.30 C ATOM 0 H THR A 74 10.380 7.006 -4.672 1.00 0.23 H new ATOM 0 HA THR A 74 7.642 5.985 -4.050 1.00 0.23 H new ATOM 0 HB THR A 74 8.495 6.493 -1.678 1.00 0.28 H new ATOM 0 HG1 THR A 74 10.884 6.853 -1.742 1.00 0.30 H new ATOM 0 HG21 THR A 74 10.076 4.601 -1.596 1.00 0.30 H new ATOM 0 HG22 THR A 74 8.697 4.206 -2.649 1.00 0.30 H new ATOM 0 HG23 THR A 74 10.261 4.662 -3.365 1.00 0.30 H new ATOM 1134 N PRO A 75 6.605 8.209 -3.200 1.00 0.23 N ATOM 1135 CA PRO A 75 5.770 7.057 -2.786 1.00 0.19 C ATOM 1136 C PRO A 75 5.147 6.358 -4.010 1.00 0.16 C ATOM 1137 O PRO A 75 4.811 7.003 -4.991 1.00 0.08 O ATOM 1138 CB PRO A 75 4.660 7.676 -1.931 1.00 0.20 C ATOM 1139 CG PRO A 75 4.718 9.218 -2.149 1.00 0.24 C ATOM 1140 CD PRO A 75 5.988 9.516 -2.969 1.00 0.27 C ATOM 0 HA PRO A 75 6.354 6.306 -2.254 1.00 0.19 H new ATOM 0 HB2 PRO A 75 3.686 7.283 -2.221 1.00 0.20 H new ATOM 0 HB3 PRO A 75 4.802 7.430 -0.879 1.00 0.20 H new ATOM 0 HG2 PRO A 75 3.830 9.565 -2.676 1.00 0.24 H new ATOM 0 HG3 PRO A 75 4.746 9.741 -1.193 1.00 0.24 H new ATOM 0 HD2 PRO A 75 5.744 10.009 -3.910 1.00 0.27 H new ATOM 0 HD3 PRO A 75 6.661 10.180 -2.427 1.00 0.27 H new ATOM 1148 N THR A 76 5.006 5.053 -3.921 1.00 0.23 N ATOM 1149 CA THR A 76 4.401 4.291 -5.055 1.00 0.21 C ATOM 1150 C THR A 76 3.230 3.451 -4.544 1.00 0.21 C ATOM 1151 O THR A 76 3.363 2.714 -3.586 1.00 0.16 O ATOM 1152 CB THR A 76 5.459 3.375 -5.678 1.00 0.20 C ATOM 1153 OG1 THR A 76 6.304 4.250 -6.416 1.00 0.23 O ATOM 1154 CG2 THR A 76 4.844 2.437 -6.716 1.00 0.20 C ATOM 0 H THR A 76 5.283 4.490 -3.117 1.00 0.23 H new ATOM 0 HA THR A 76 4.039 4.991 -5.808 1.00 0.21 H new ATOM 0 HB THR A 76 5.949 2.787 -4.902 1.00 0.20 H new ATOM 0 HG1 THR A 76 6.836 4.791 -5.796 1.00 0.23 H new ATOM 0 HG21 THR A 76 5.622 1.801 -7.138 1.00 0.20 H new ATOM 0 HG22 THR A 76 4.086 1.815 -6.240 1.00 0.20 H new ATOM 0 HG23 THR A 76 4.385 3.025 -7.511 1.00 0.20 H new ATOM 1162 N PHE A 77 2.105 3.582 -5.195 1.00 0.28 N ATOM 1163 CA PHE A 77 0.905 2.813 -4.753 1.00 0.28 C ATOM 1164 C PHE A 77 0.676 1.594 -5.637 1.00 0.29 C ATOM 1165 O PHE A 77 0.798 1.664 -6.843 1.00 0.37 O ATOM 1166 CB PHE A 77 -0.314 3.716 -4.833 1.00 0.31 C ATOM 1167 CG PHE A 77 -0.290 4.681 -3.657 1.00 0.29 C ATOM 1168 CD1 PHE A 77 -0.618 4.238 -2.391 1.00 0.24 C ATOM 1169 CD2 PHE A 77 0.059 6.009 -3.838 1.00 0.36 C ATOM 1170 CE1 PHE A 77 -0.602 5.108 -1.320 1.00 0.24 C ATOM 1171 CE2 PHE A 77 0.076 6.877 -2.767 1.00 0.33 C ATOM 1172 CZ PHE A 77 -0.254 6.427 -1.508 1.00 0.26 C ATOM 0 H PHE A 77 1.965 4.183 -6.007 1.00 0.28 H new ATOM 0 HA PHE A 77 1.069 2.473 -3.731 1.00 0.28 H new ATOM 0 HB2 PHE A 77 -0.314 4.267 -5.773 1.00 0.31 H new ATOM 0 HB3 PHE A 77 -1.227 3.120 -4.813 1.00 0.31 H new ATOM 0 HD1 PHE A 77 -0.889 3.204 -2.238 1.00 0.24 H new ATOM 0 HD2 PHE A 77 0.319 6.367 -4.823 1.00 0.36 H new ATOM 0 HE1 PHE A 77 -0.863 4.754 -0.333 1.00 0.24 H new ATOM 0 HE2 PHE A 77 0.349 7.911 -2.916 1.00 0.33 H new ATOM 0 HZ PHE A 77 -0.240 7.107 -0.669 1.00 0.26 H new ATOM 1182 N GLN A 78 0.346 0.502 -5.005 1.00 0.21 N ATOM 1183 CA GLN A 78 0.077 -0.750 -5.774 1.00 0.20 C ATOM 1184 C GLN A 78 -1.263 -1.353 -5.342 1.00 0.18 C ATOM 1185 O GLN A 78 -1.681 -1.197 -4.211 1.00 0.18 O ATOM 1186 CB GLN A 78 1.196 -1.745 -5.504 1.00 0.18 C ATOM 1187 CG GLN A 78 1.910 -2.100 -6.814 1.00 0.81 C ATOM 1188 CD GLN A 78 2.702 -0.884 -7.305 1.00 1.17 C ATOM 1189 OE1 GLN A 78 2.156 0.035 -7.882 1.00 2.55 O ATOM 1190 NE2 GLN A 78 3.990 -0.842 -7.095 1.00 0.83 N ATOM 0 H GLN A 78 0.251 0.420 -3.993 1.00 0.21 H new ATOM 0 HA GLN A 78 0.033 -0.521 -6.839 1.00 0.20 H new ATOM 0 HB2 GLN A 78 1.908 -1.321 -4.796 1.00 0.18 H new ATOM 0 HB3 GLN A 78 0.789 -2.647 -5.046 1.00 0.18 H new ATOM 0 HG2 GLN A 78 2.580 -2.946 -6.659 1.00 0.81 H new ATOM 0 HG3 GLN A 78 1.183 -2.403 -7.567 1.00 0.81 H new ATOM 0 HE21 GLN A 78 4.453 -1.611 -6.611 1.00 0.83 H new ATOM 0 HE22 GLN A 78 4.533 -0.040 -7.415 1.00 0.83 H new ATOM 1199 N PHE A 79 -1.904 -2.029 -6.261 1.00 0.17 N ATOM 1200 CA PHE A 79 -3.231 -2.648 -5.952 1.00 0.14 C ATOM 1201 C PHE A 79 -3.146 -4.172 -6.113 1.00 0.13 C ATOM 1202 O PHE A 79 -2.756 -4.658 -7.156 1.00 0.13 O ATOM 1203 CB PHE A 79 -4.274 -2.099 -6.936 1.00 0.13 C ATOM 1204 CG PHE A 79 -4.627 -0.644 -6.583 1.00 0.15 C ATOM 1205 CD1 PHE A 79 -3.667 0.357 -6.648 1.00 0.17 C ATOM 1206 CD2 PHE A 79 -5.916 -0.310 -6.195 1.00 0.16 C ATOM 1207 CE1 PHE A 79 -3.994 1.662 -6.329 1.00 0.19 C ATOM 1208 CE2 PHE A 79 -6.237 0.994 -5.878 1.00 0.18 C ATOM 1209 CZ PHE A 79 -5.278 1.978 -5.945 1.00 0.20 C ATOM 0 H PHE A 79 -1.567 -2.180 -7.212 1.00 0.17 H new ATOM 0 HA PHE A 79 -3.514 -2.409 -4.927 1.00 0.14 H new ATOM 0 HB2 PHE A 79 -3.886 -2.150 -7.953 1.00 0.13 H new ATOM 0 HB3 PHE A 79 -5.172 -2.716 -6.906 1.00 0.13 H new ATOM 0 HD1 PHE A 79 -2.659 0.115 -6.950 1.00 0.17 H new ATOM 0 HD2 PHE A 79 -6.675 -1.077 -6.141 1.00 0.16 H new ATOM 0 HE1 PHE A 79 -3.241 2.435 -6.381 1.00 0.19 H new ATOM 0 HE2 PHE A 79 -7.244 1.243 -5.576 1.00 0.18 H new ATOM 0 HZ PHE A 79 -5.532 2.998 -5.697 1.00 0.20 H new ATOM 1219 N PHE A 80 -3.511 -4.892 -5.075 1.00 0.11 N ATOM 1220 CA PHE A 80 -3.465 -6.388 -5.159 1.00 0.12 C ATOM 1221 C PHE A 80 -4.841 -6.967 -4.823 1.00 0.09 C ATOM 1222 O PHE A 80 -5.555 -6.434 -3.997 1.00 0.11 O ATOM 1223 CB PHE A 80 -2.435 -6.918 -4.164 1.00 0.15 C ATOM 1224 CG PHE A 80 -1.027 -6.545 -4.631 1.00 0.13 C ATOM 1225 CD1 PHE A 80 -0.449 -7.188 -5.712 1.00 0.23 C ATOM 1226 CD2 PHE A 80 -0.312 -5.560 -3.975 1.00 0.15 C ATOM 1227 CE1 PHE A 80 0.823 -6.851 -6.125 1.00 0.23 C ATOM 1228 CE2 PHE A 80 0.960 -5.226 -4.391 1.00 0.14 C ATOM 1229 CZ PHE A 80 1.526 -5.872 -5.461 1.00 0.10 C ATOM 0 H PHE A 80 -3.835 -4.514 -4.185 1.00 0.11 H new ATOM 0 HA PHE A 80 -3.186 -6.685 -6.170 1.00 0.12 H new ATOM 0 HB2 PHE A 80 -2.623 -6.501 -3.175 1.00 0.15 H new ATOM 0 HB3 PHE A 80 -2.524 -8.001 -4.076 1.00 0.15 H new ATOM 0 HD1 PHE A 80 -0.997 -7.958 -6.235 1.00 0.23 H new ATOM 0 HD2 PHE A 80 -0.752 -5.049 -3.132 1.00 0.15 H new ATOM 0 HE1 PHE A 80 1.268 -7.356 -6.970 1.00 0.23 H new ATOM 0 HE2 PHE A 80 1.511 -4.455 -3.874 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.524 -5.612 -5.782 1.00 0.10 H new ATOM 1239 N LYS A 81 -5.185 -8.045 -5.475 1.00 0.07 N ATOM 1240 CA LYS A 81 -6.513 -8.675 -5.209 1.00 0.06 C ATOM 1241 C LYS A 81 -6.384 -10.199 -5.218 1.00 0.11 C ATOM 1242 O LYS A 81 -5.901 -10.779 -6.169 1.00 0.19 O ATOM 1243 CB LYS A 81 -7.498 -8.240 -6.294 1.00 0.09 C ATOM 1244 CG LYS A 81 -8.927 -8.517 -5.820 1.00 0.20 C ATOM 1245 CD LYS A 81 -9.910 -8.035 -6.890 1.00 0.37 C ATOM 1246 CE LYS A 81 -11.337 -8.152 -6.351 1.00 0.46 C ATOM 1247 NZ LYS A 81 -12.324 -7.883 -7.434 1.00 1.24 N ATOM 0 H LYS A 81 -4.610 -8.514 -6.175 1.00 0.07 H new ATOM 0 HA LYS A 81 -6.873 -8.357 -4.230 1.00 0.06 H new ATOM 0 HB2 LYS A 81 -7.373 -7.179 -6.510 1.00 0.09 H new ATOM 0 HB3 LYS A 81 -7.299 -8.779 -7.220 1.00 0.09 H new ATOM 0 HG2 LYS A 81 -9.063 -9.583 -5.637 1.00 0.20 H new ATOM 0 HG3 LYS A 81 -9.117 -8.005 -4.877 1.00 0.20 H new ATOM 0 HD2 LYS A 81 -9.694 -7.001 -7.160 1.00 0.37 H new ATOM 0 HD3 LYS A 81 -9.801 -8.631 -7.796 1.00 0.37 H new ATOM 0 HE2 LYS A 81 -11.498 -9.150 -5.943 1.00 0.46 H new ATOM 0 HE3 LYS A 81 -11.483 -7.446 -5.533 1.00 0.46 H new ATOM 0 HZ1 LYS A 81 -13.288 -7.966 -7.053 1.00 1.24 H new ATOM 0 HZ2 LYS A 81 -12.180 -6.922 -7.805 1.00 1.24 H new ATOM 0 HZ3 LYS A 81 -12.194 -8.573 -8.201 1.00 1.24 H new ATOM 1261 N LYS A 82 -6.820 -10.815 -4.154 1.00 0.07 N ATOM 1262 CA LYS A 82 -6.724 -12.300 -4.079 1.00 0.12 C ATOM 1263 C LYS A 82 -5.295 -12.747 -4.393 1.00 0.23 C ATOM 1264 O LYS A 82 -5.036 -13.916 -4.598 1.00 0.34 O ATOM 1265 CB LYS A 82 -7.687 -12.916 -5.091 1.00 0.32 C ATOM 1266 CG LYS A 82 -8.364 -14.132 -4.460 1.00 0.63 C ATOM 1267 CD LYS A 82 -9.265 -14.800 -5.499 1.00 0.67 C ATOM 1268 CE LYS A 82 -10.221 -15.759 -4.789 1.00 1.32 C ATOM 1269 NZ LYS A 82 -9.676 -16.149 -3.458 1.00 2.44 N ATOM 0 H LYS A 82 -7.235 -10.360 -3.341 1.00 0.07 H new ATOM 0 HA LYS A 82 -6.986 -12.630 -3.073 1.00 0.12 H new ATOM 0 HB2 LYS A 82 -8.435 -12.183 -5.392 1.00 0.32 H new ATOM 0 HB3 LYS A 82 -7.148 -13.211 -5.992 1.00 0.32 H new ATOM 0 HG2 LYS A 82 -7.613 -14.838 -4.104 1.00 0.63 H new ATOM 0 HG3 LYS A 82 -8.951 -13.828 -3.594 1.00 0.63 H new ATOM 0 HD2 LYS A 82 -9.828 -14.046 -6.049 1.00 0.67 H new ATOM 0 HD3 LYS A 82 -8.662 -15.341 -6.228 1.00 0.67 H new ATOM 0 HE2 LYS A 82 -11.195 -15.286 -4.665 1.00 1.32 H new ATOM 0 HE3 LYS A 82 -10.374 -16.648 -5.401 1.00 1.32 H new ATOM 0 HZ1 LYS A 82 -10.203 -16.968 -3.094 1.00 2.44 H new ATOM 0 HZ2 LYS A 82 -8.671 -16.399 -3.554 1.00 2.44 H new ATOM 0 HZ3 LYS A 82 -9.773 -15.353 -2.796 1.00 2.44 H new ATOM 1283 N GLY A 83 -4.397 -11.798 -4.426 1.00 0.26 N ATOM 1284 CA GLY A 83 -2.978 -12.139 -4.725 1.00 0.45 C ATOM 1285 C GLY A 83 -2.670 -11.890 -6.201 1.00 0.60 C ATOM 1286 O GLY A 83 -1.835 -12.556 -6.782 1.00 0.94 O ATOM 0 H GLY A 83 -4.584 -10.809 -4.260 1.00 0.26 H new ATOM 0 HA2 GLY A 83 -2.314 -11.539 -4.102 1.00 0.45 H new ATOM 0 HA3 GLY A 83 -2.789 -13.184 -4.479 1.00 0.45 H new ATOM 1290 N GLN A 84 -3.352 -10.934 -6.777 1.00 0.43 N ATOM 1291 CA GLN A 84 -3.112 -10.622 -8.217 1.00 0.59 C ATOM 1292 C GLN A 84 -3.113 -9.108 -8.443 1.00 0.52 C ATOM 1293 O GLN A 84 -4.076 -8.431 -8.143 1.00 0.55 O ATOM 1294 CB GLN A 84 -4.215 -11.263 -9.058 1.00 0.71 C ATOM 1295 CG GLN A 84 -3.599 -12.334 -9.959 1.00 0.79 C ATOM 1296 CD GLN A 84 -4.685 -12.925 -10.860 1.00 1.00 C ATOM 1297 OE1 GLN A 84 -5.259 -13.955 -10.565 1.00 1.30 O ATOM 1298 NE2 GLN A 84 -4.997 -12.304 -11.964 1.00 1.91 N ATOM 0 H GLN A 84 -4.059 -10.360 -6.317 1.00 0.43 H new ATOM 0 HA GLN A 84 -2.140 -11.019 -8.510 1.00 0.59 H new ATOM 0 HB2 GLN A 84 -4.972 -11.706 -8.411 1.00 0.71 H new ATOM 0 HB3 GLN A 84 -4.715 -10.506 -9.662 1.00 0.71 H new ATOM 0 HG2 GLN A 84 -2.803 -11.901 -10.565 1.00 0.79 H new ATOM 0 HG3 GLN A 84 -3.147 -13.119 -9.353 1.00 0.79 H new ATOM 0 HE21 GLN A 84 -4.518 -11.439 -12.216 1.00 1.91 H new ATOM 0 HE22 GLN A 84 -5.720 -12.683 -12.576 1.00 1.91 H new ATOM 1307 N LYS A 85 -2.029 -8.614 -8.972 1.00 0.43 N ATOM 1308 CA LYS A 85 -1.936 -7.152 -9.235 1.00 0.36 C ATOM 1309 C LYS A 85 -2.967 -6.743 -10.295 1.00 0.36 C ATOM 1310 O LYS A 85 -2.990 -7.291 -11.379 1.00 0.45 O ATOM 1311 CB LYS A 85 -0.526 -6.839 -9.738 1.00 0.36 C ATOM 1312 CG LYS A 85 -0.323 -5.326 -9.782 1.00 0.38 C ATOM 1313 CD LYS A 85 1.162 -5.032 -10.008 1.00 0.55 C ATOM 1314 CE LYS A 85 1.606 -5.656 -11.335 1.00 0.70 C ATOM 1315 NZ LYS A 85 2.097 -7.047 -11.121 1.00 1.97 N ATOM 0 H LYS A 85 -1.206 -9.157 -9.233 1.00 0.43 H new ATOM 0 HA LYS A 85 -2.140 -6.597 -8.319 1.00 0.36 H new ATOM 0 HB2 LYS A 85 0.215 -7.297 -9.083 1.00 0.36 H new ATOM 0 HB3 LYS A 85 -0.380 -7.265 -10.731 1.00 0.36 H new ATOM 0 HG2 LYS A 85 -0.920 -4.889 -10.582 1.00 0.38 H new ATOM 0 HG3 LYS A 85 -0.659 -4.873 -8.849 1.00 0.38 H new ATOM 0 HD2 LYS A 85 1.333 -3.956 -10.024 1.00 0.55 H new ATOM 0 HD3 LYS A 85 1.754 -5.437 -9.187 1.00 0.55 H new ATOM 0 HE2 LYS A 85 0.772 -5.663 -12.037 1.00 0.70 H new ATOM 0 HE3 LYS A 85 2.395 -5.051 -11.782 1.00 0.70 H new ATOM 0 HZ1 LYS A 85 3.059 -7.138 -11.505 1.00 1.97 H new ATOM 0 HZ2 LYS A 85 2.109 -7.258 -10.103 1.00 1.97 H new ATOM 0 HZ3 LYS A 85 1.466 -7.716 -11.606 1.00 1.97 H new ATOM 1329 N VAL A 86 -3.796 -5.785 -9.952 1.00 0.35 N ATOM 1330 CA VAL A 86 -4.840 -5.320 -10.921 1.00 0.36 C ATOM 1331 C VAL A 86 -4.693 -3.818 -11.185 1.00 0.33 C ATOM 1332 O VAL A 86 -5.265 -3.290 -12.118 1.00 0.49 O ATOM 1333 CB VAL A 86 -6.225 -5.600 -10.335 1.00 0.36 C ATOM 1334 CG1 VAL A 86 -6.495 -7.105 -10.381 1.00 0.31 C ATOM 1335 CG2 VAL A 86 -6.262 -5.127 -8.880 1.00 0.42 C ATOM 0 H VAL A 86 -3.796 -5.308 -9.050 1.00 0.35 H new ATOM 0 HA VAL A 86 -4.716 -5.855 -11.863 1.00 0.36 H new ATOM 0 HB VAL A 86 -6.983 -5.071 -10.913 1.00 0.36 H new ATOM 0 HG11 VAL A 86 -7.481 -7.311 -9.964 1.00 0.31 H new ATOM 0 HG12 VAL A 86 -6.458 -7.450 -11.414 1.00 0.31 H new ATOM 0 HG13 VAL A 86 -5.738 -7.628 -9.797 1.00 0.31 H new ATOM 0 HG21 VAL A 86 -7.247 -5.325 -8.458 1.00 0.42 H new ATOM 0 HG22 VAL A 86 -5.507 -5.662 -8.304 1.00 0.42 H new ATOM 0 HG23 VAL A 86 -6.058 -4.057 -8.840 1.00 0.42 H new ATOM 1345 N GLY A 87 -3.928 -3.160 -10.357 1.00 0.16 N ATOM 1346 CA GLY A 87 -3.733 -1.695 -10.550 1.00 0.09 C ATOM 1347 C GLY A 87 -2.382 -1.253 -9.986 1.00 0.14 C ATOM 1348 O GLY A 87 -1.845 -1.875 -9.092 1.00 0.26 O ATOM 0 H GLY A 87 -3.434 -3.568 -9.563 1.00 0.16 H new ATOM 0 HA2 GLY A 87 -3.787 -1.452 -11.611 1.00 0.09 H new ATOM 0 HA3 GLY A 87 -4.536 -1.148 -10.056 1.00 0.09 H new ATOM 1352 N GLU A 88 -1.857 -0.187 -10.525 1.00 0.13 N ATOM 1353 CA GLU A 88 -0.542 0.311 -10.025 1.00 0.25 C ATOM 1354 C GLU A 88 -0.255 1.709 -10.581 1.00 0.24 C ATOM 1355 O GLU A 88 -0.239 1.916 -11.779 1.00 0.22 O ATOM 1356 CB GLU A 88 0.559 -0.650 -10.474 1.00 0.39 C ATOM 1357 CG GLU A 88 0.572 -0.726 -12.005 1.00 1.39 C ATOM 1358 CD GLU A 88 0.767 -2.180 -12.437 1.00 2.24 C ATOM 1359 OE1 GLU A 88 -0.244 -2.857 -12.532 1.00 3.38 O ATOM 1360 OE2 GLU A 88 1.916 -2.533 -12.648 1.00 2.08 O ATOM 0 H GLU A 88 -2.275 0.356 -11.281 1.00 0.13 H new ATOM 0 HA GLU A 88 -0.571 0.365 -8.937 1.00 0.25 H new ATOM 0 HB2 GLU A 88 1.527 -0.309 -10.107 1.00 0.39 H new ATOM 0 HB3 GLU A 88 0.388 -1.640 -10.051 1.00 0.39 H new ATOM 0 HG2 GLU A 88 -0.363 -0.337 -12.408 1.00 1.39 H new ATOM 0 HG3 GLU A 88 1.374 -0.105 -12.405 1.00 1.39 H new ATOM 1367 N PHE A 89 -0.036 2.635 -9.692 1.00 0.30 N ATOM 1368 CA PHE A 89 0.263 4.019 -10.130 1.00 0.30 C ATOM 1369 C PHE A 89 1.080 4.743 -9.053 1.00 0.32 C ATOM 1370 O PHE A 89 0.771 4.659 -7.879 1.00 0.33 O ATOM 1371 CB PHE A 89 -1.061 4.731 -10.365 1.00 0.29 C ATOM 1372 CG PHE A 89 -1.543 5.403 -9.076 1.00 0.30 C ATOM 1373 CD1 PHE A 89 -1.040 6.633 -8.686 1.00 0.31 C ATOM 1374 CD2 PHE A 89 -2.499 4.786 -8.283 1.00 0.29 C ATOM 1375 CE1 PHE A 89 -1.483 7.233 -7.525 1.00 0.32 C ATOM 1376 CE2 PHE A 89 -2.941 5.389 -7.124 1.00 0.30 C ATOM 1377 CZ PHE A 89 -2.433 6.611 -6.746 1.00 0.32 C ATOM 0 H PHE A 89 -0.052 2.491 -8.682 1.00 0.30 H new ATOM 0 HA PHE A 89 0.850 4.012 -11.048 1.00 0.30 H new ATOM 0 HB2 PHE A 89 -0.945 5.478 -11.150 1.00 0.29 H new ATOM 0 HB3 PHE A 89 -1.808 4.017 -10.712 1.00 0.29 H new ATOM 0 HD1 PHE A 89 -0.296 7.126 -9.294 1.00 0.31 H new ATOM 0 HD2 PHE A 89 -2.900 3.827 -8.575 1.00 0.29 H new ATOM 0 HE1 PHE A 89 -1.084 8.191 -7.227 1.00 0.32 H new ATOM 0 HE2 PHE A 89 -3.686 4.902 -6.513 1.00 0.30 H new ATOM 0 HZ PHE A 89 -2.780 7.082 -5.838 1.00 0.32 H new ATOM 1387 N SER A 90 2.107 5.435 -9.479 1.00 0.33 N ATOM 1388 CA SER A 90 2.968 6.162 -8.495 1.00 0.34 C ATOM 1389 C SER A 90 2.728 7.670 -8.573 1.00 0.33 C ATOM 1390 O SER A 90 2.094 8.153 -9.492 1.00 0.33 O ATOM 1391 CB SER A 90 4.434 5.865 -8.805 1.00 0.35 C ATOM 1392 OG SER A 90 4.643 6.446 -10.084 1.00 0.42 O ATOM 0 H SER A 90 2.385 5.528 -10.456 1.00 0.33 H new ATOM 0 HA SER A 90 2.717 5.825 -7.489 1.00 0.34 H new ATOM 0 HB2 SER A 90 5.096 6.301 -8.056 1.00 0.35 H new ATOM 0 HB3 SER A 90 4.629 4.793 -8.818 1.00 0.35 H new ATOM 0 HG SER A 90 5.572 6.301 -10.361 1.00 0.42 H new ATOM 1398 N GLY A 91 3.245 8.380 -7.598 1.00 0.31 N ATOM 1399 CA GLY A 91 3.067 9.864 -7.577 1.00 0.30 C ATOM 1400 C GLY A 91 2.318 10.287 -6.312 1.00 0.29 C ATOM 1401 O GLY A 91 1.329 9.684 -5.942 1.00 0.37 O ATOM 0 H GLY A 91 3.780 7.996 -6.819 1.00 0.31 H new ATOM 0 HA2 GLY A 91 4.039 10.355 -7.614 1.00 0.30 H new ATOM 0 HA3 GLY A 91 2.514 10.184 -8.460 1.00 0.30 H new ATOM 1405 N ALA A 92 2.802 11.317 -5.675 1.00 0.31 N ATOM 1406 CA ALA A 92 2.131 11.789 -4.430 1.00 0.33 C ATOM 1407 C ALA A 92 0.811 12.490 -4.770 1.00 0.28 C ATOM 1408 O ALA A 92 0.762 13.698 -4.892 1.00 0.65 O ATOM 1409 CB ALA A 92 3.054 12.766 -3.704 1.00 0.50 C ATOM 0 H ALA A 92 3.625 11.848 -5.958 1.00 0.31 H new ATOM 0 HA ALA A 92 1.919 10.932 -3.791 1.00 0.33 H new ATOM 0 HB1 ALA A 92 2.569 13.115 -2.792 1.00 0.50 H new ATOM 0 HB2 ALA A 92 3.987 12.264 -3.449 1.00 0.50 H new ATOM 0 HB3 ALA A 92 3.265 13.617 -4.352 1.00 0.50 H new ATOM 1415 N ASN A 93 -0.231 11.710 -4.917 1.00 0.11 N ATOM 1416 CA ASN A 93 -1.564 12.306 -5.242 1.00 0.15 C ATOM 1417 C ASN A 93 -2.642 11.687 -4.349 1.00 0.32 C ATOM 1418 O ASN A 93 -2.745 10.481 -4.239 1.00 0.32 O ATOM 1419 CB ASN A 93 -1.897 12.032 -6.707 1.00 0.19 C ATOM 1420 CG ASN A 93 -3.036 12.955 -7.140 1.00 0.15 C ATOM 1421 OD1 ASN A 93 -3.370 13.044 -8.305 1.00 0.34 O ATOM 1422 ND2 ASN A 93 -3.656 13.660 -6.234 1.00 0.46 N ATOM 0 H ASN A 93 -0.218 10.694 -4.827 1.00 0.11 H new ATOM 0 HA ASN A 93 -1.530 13.382 -5.068 1.00 0.15 H new ATOM 0 HB2 ASN A 93 -1.019 12.200 -7.330 1.00 0.19 H new ATOM 0 HB3 ASN A 93 -2.187 10.989 -6.839 1.00 0.19 H new ATOM 0 HD21 ASN A 93 -4.417 14.282 -6.505 1.00 0.46 H new ATOM 0 HD22 ASN A 93 -3.379 13.589 -5.255 1.00 0.46 H new ATOM 1429 N LYS A 94 -3.421 12.527 -3.728 1.00 0.53 N ATOM 1430 CA LYS A 94 -4.491 12.005 -2.831 1.00 0.73 C ATOM 1431 C LYS A 94 -5.817 11.881 -3.588 1.00 0.74 C ATOM 1432 O LYS A 94 -6.424 10.828 -3.612 1.00 0.73 O ATOM 1433 CB LYS A 94 -4.660 12.967 -1.658 1.00 1.06 C ATOM 1434 CG LYS A 94 -3.340 13.043 -0.877 1.00 0.16 C ATOM 1435 CD LYS A 94 -3.226 14.406 -0.186 1.00 0.95 C ATOM 1436 CE LYS A 94 -2.456 15.370 -1.092 1.00 0.64 C ATOM 1437 NZ LYS A 94 -3.132 15.505 -2.413 1.00 1.63 N ATOM 0 H LYS A 94 -3.365 13.543 -3.801 1.00 0.53 H new ATOM 0 HA LYS A 94 -4.207 11.016 -2.471 1.00 0.73 H new ATOM 0 HB2 LYS A 94 -4.940 13.956 -2.020 1.00 1.06 H new ATOM 0 HB3 LYS A 94 -5.464 12.627 -1.005 1.00 1.06 H new ATOM 0 HG2 LYS A 94 -3.298 12.244 -0.136 1.00 0.16 H new ATOM 0 HG3 LYS A 94 -2.498 12.896 -1.553 1.00 0.16 H new ATOM 0 HD2 LYS A 94 -4.219 14.803 0.026 1.00 0.95 H new ATOM 0 HD3 LYS A 94 -2.714 14.300 0.770 1.00 0.95 H new ATOM 0 HE2 LYS A 94 -2.383 16.347 -0.614 1.00 0.64 H new ATOM 0 HE3 LYS A 94 -1.438 15.008 -1.234 1.00 0.64 H new ATOM 0 HZ1 LYS A 94 -2.731 16.315 -2.927 1.00 1.63 H new ATOM 0 HZ2 LYS A 94 -2.987 14.637 -2.967 1.00 1.63 H new ATOM 0 HZ3 LYS A 94 -4.151 15.657 -2.268 1.00 1.63 H new ATOM 1451 N GLU A 95 -6.237 12.956 -4.195 1.00 0.82 N ATOM 1452 CA GLU A 95 -7.521 12.914 -4.950 1.00 0.94 C ATOM 1453 C GLU A 95 -7.549 11.693 -5.871 1.00 0.78 C ATOM 1454 O GLU A 95 -8.589 11.306 -6.365 1.00 0.90 O ATOM 1455 CB GLU A 95 -7.651 14.186 -5.784 1.00 1.12 C ATOM 1456 CG GLU A 95 -8.304 15.278 -4.935 1.00 0.93 C ATOM 1457 CD GLU A 95 -7.506 15.458 -3.642 1.00 1.31 C ATOM 1458 OE1 GLU A 95 -6.434 16.032 -3.745 1.00 2.32 O ATOM 1459 OE2 GLU A 95 -8.013 15.013 -2.626 1.00 2.32 O ATOM 0 H GLU A 95 -5.753 13.854 -4.202 1.00 0.82 H new ATOM 0 HA GLU A 95 -8.351 12.845 -4.247 1.00 0.94 H new ATOM 0 HB2 GLU A 95 -6.669 14.513 -6.126 1.00 1.12 H new ATOM 0 HB3 GLU A 95 -8.251 13.993 -6.673 1.00 1.12 H new ATOM 0 HG2 GLU A 95 -8.336 16.216 -5.490 1.00 0.93 H new ATOM 0 HG3 GLU A 95 -9.335 15.008 -4.705 1.00 0.93 H new ATOM 1466 N LYS A 96 -6.400 11.112 -6.081 1.00 0.54 N ATOM 1467 CA LYS A 96 -6.339 9.915 -6.969 1.00 0.47 C ATOM 1468 C LYS A 96 -6.697 8.646 -6.182 1.00 0.34 C ATOM 1469 O LYS A 96 -7.606 7.932 -6.545 1.00 0.22 O ATOM 1470 CB LYS A 96 -4.922 9.787 -7.537 1.00 0.45 C ATOM 1471 CG LYS A 96 -4.865 8.603 -8.511 1.00 0.62 C ATOM 1472 CD LYS A 96 -4.068 9.014 -9.755 1.00 1.05 C ATOM 1473 CE LYS A 96 -4.895 9.997 -10.592 1.00 0.34 C ATOM 1474 NZ LYS A 96 -4.111 11.234 -10.865 1.00 1.13 N ATOM 0 H LYS A 96 -5.510 11.409 -5.682 1.00 0.54 H new ATOM 0 HA LYS A 96 -7.056 10.033 -7.781 1.00 0.47 H new ATOM 0 HB2 LYS A 96 -4.640 10.707 -8.049 1.00 0.45 H new ATOM 0 HB3 LYS A 96 -4.206 9.641 -6.728 1.00 0.45 H new ATOM 0 HG2 LYS A 96 -4.396 7.744 -8.031 1.00 0.62 H new ATOM 0 HG3 LYS A 96 -5.873 8.300 -8.794 1.00 0.62 H new ATOM 0 HD2 LYS A 96 -3.125 9.475 -9.460 1.00 1.05 H new ATOM 0 HD3 LYS A 96 -3.820 8.134 -10.348 1.00 1.05 H new ATOM 0 HE2 LYS A 96 -5.186 9.529 -11.532 1.00 0.34 H new ATOM 0 HE3 LYS A 96 -5.814 10.250 -10.064 1.00 0.34 H new ATOM 0 HZ1 LYS A 96 -4.643 11.846 -11.516 1.00 1.13 H new ATOM 0 HZ2 LYS A 96 -3.942 11.742 -9.973 1.00 1.13 H new ATOM 0 HZ3 LYS A 96 -3.200 10.979 -11.297 1.00 1.13 H new ATOM 1488 N LEU A 97 -5.976 8.399 -5.118 1.00 0.40 N ATOM 1489 CA LEU A 97 -6.259 7.174 -4.297 1.00 0.33 C ATOM 1490 C LEU A 97 -7.769 6.983 -4.113 1.00 0.35 C ATOM 1491 O LEU A 97 -8.347 6.075 -4.666 1.00 0.44 O ATOM 1492 CB LEU A 97 -5.617 7.329 -2.913 1.00 0.41 C ATOM 1493 CG LEU A 97 -4.085 7.394 -3.039 1.00 0.52 C ATOM 1494 CD1 LEU A 97 -3.498 7.970 -1.745 1.00 0.58 C ATOM 1495 CD2 LEU A 97 -3.510 5.984 -3.250 1.00 0.60 C ATOM 0 H LEU A 97 -5.211 8.983 -4.782 1.00 0.40 H new ATOM 0 HA LEU A 97 -5.847 6.309 -4.816 1.00 0.33 H new ATOM 0 HB2 LEU A 97 -5.988 8.234 -2.432 1.00 0.41 H new ATOM 0 HB3 LEU A 97 -5.901 6.491 -2.277 1.00 0.41 H new ATOM 0 HG LEU A 97 -3.827 8.024 -3.890 1.00 0.52 H new ATOM 0 HD11 LEU A 97 -2.412 8.019 -1.828 1.00 0.58 H new ATOM 0 HD12 LEU A 97 -3.895 8.972 -1.580 1.00 0.58 H new ATOM 0 HD13 LEU A 97 -3.769 7.330 -0.906 1.00 0.58 H new ATOM 0 HD21 LEU A 97 -2.425 6.043 -3.338 1.00 0.60 H new ATOM 0 HD22 LEU A 97 -3.772 5.353 -2.400 1.00 0.60 H new ATOM 0 HD23 LEU A 97 -3.925 5.555 -4.162 1.00 0.60 H new ATOM 1507 N GLU A 98 -8.363 7.857 -3.338 1.00 0.42 N ATOM 1508 CA GLU A 98 -9.837 7.753 -3.061 1.00 0.50 C ATOM 1509 C GLU A 98 -10.605 7.228 -4.273 1.00 0.46 C ATOM 1510 O GLU A 98 -11.218 6.181 -4.217 1.00 0.55 O ATOM 1511 CB GLU A 98 -10.369 9.135 -2.690 1.00 0.59 C ATOM 1512 CG GLU A 98 -11.897 9.085 -2.640 1.00 0.56 C ATOM 1513 CD GLU A 98 -12.412 10.222 -1.756 1.00 1.06 C ATOM 1514 OE1 GLU A 98 -11.755 11.250 -1.758 1.00 2.15 O ATOM 1515 OE2 GLU A 98 -13.434 10.000 -1.127 1.00 1.04 O ATOM 0 H GLU A 98 -7.894 8.640 -2.883 1.00 0.42 H new ATOM 0 HA GLU A 98 -9.981 7.049 -2.241 1.00 0.50 H new ATOM 0 HB2 GLU A 98 -9.971 9.444 -1.724 1.00 0.59 H new ATOM 0 HB3 GLU A 98 -10.040 9.873 -3.421 1.00 0.59 H new ATOM 0 HG2 GLU A 98 -12.308 9.176 -3.645 1.00 0.56 H new ATOM 0 HG3 GLU A 98 -12.228 8.124 -2.246 1.00 0.56 H new ATOM 1522 N ALA A 99 -10.555 7.959 -5.334 1.00 0.44 N ATOM 1523 CA ALA A 99 -11.289 7.524 -6.559 1.00 0.40 C ATOM 1524 C ALA A 99 -10.708 6.214 -7.100 1.00 0.34 C ATOM 1525 O ALA A 99 -11.418 5.414 -7.676 1.00 0.31 O ATOM 1526 CB ALA A 99 -11.180 8.612 -7.624 1.00 0.35 C ATOM 0 H ALA A 99 -10.043 8.837 -5.418 1.00 0.44 H new ATOM 0 HA ALA A 99 -12.336 7.359 -6.303 1.00 0.40 H new ATOM 0 HB1 ALA A 99 -11.715 8.298 -8.521 1.00 0.35 H new ATOM 0 HB2 ALA A 99 -11.617 9.536 -7.246 1.00 0.35 H new ATOM 0 HB3 ALA A 99 -10.131 8.779 -7.867 1.00 0.35 H new ATOM 1532 N THR A 100 -9.434 6.018 -6.908 1.00 0.35 N ATOM 1533 CA THR A 100 -8.820 4.758 -7.409 1.00 0.27 C ATOM 1534 C THR A 100 -9.403 3.567 -6.649 1.00 0.31 C ATOM 1535 O THR A 100 -9.774 2.572 -7.239 1.00 0.30 O ATOM 1536 CB THR A 100 -7.304 4.808 -7.214 1.00 0.19 C ATOM 1537 OG1 THR A 100 -6.905 6.053 -7.778 1.00 0.16 O ATOM 1538 CG2 THR A 100 -6.605 3.745 -8.055 1.00 0.11 C ATOM 0 H THR A 100 -8.801 6.663 -6.435 1.00 0.35 H new ATOM 0 HA THR A 100 -9.038 4.648 -8.471 1.00 0.27 H new ATOM 0 HB THR A 100 -7.057 4.666 -6.162 1.00 0.19 H new ATOM 0 HG1 THR A 100 -7.373 6.784 -7.322 1.00 0.16 H new ATOM 0 HG21 THR A 100 -5.528 3.805 -7.896 1.00 0.11 H new ATOM 0 HG22 THR A 100 -6.961 2.757 -7.762 1.00 0.11 H new ATOM 0 HG23 THR A 100 -6.826 3.912 -9.109 1.00 0.11 H new ATOM 1546 N ILE A 101 -9.472 3.691 -5.350 1.00 0.38 N ATOM 1547 CA ILE A 101 -10.049 2.579 -4.548 1.00 0.43 C ATOM 1548 C ILE A 101 -11.447 2.278 -5.067 1.00 0.45 C ATOM 1549 O ILE A 101 -11.799 1.139 -5.298 1.00 0.41 O ATOM 1550 CB ILE A 101 -10.114 2.997 -3.065 1.00 0.47 C ATOM 1551 CG1 ILE A 101 -8.840 2.527 -2.346 1.00 0.45 C ATOM 1552 CG2 ILE A 101 -11.330 2.351 -2.388 1.00 0.48 C ATOM 1553 CD1 ILE A 101 -7.619 3.207 -2.971 1.00 1.51 C ATOM 0 H ILE A 101 -9.158 4.503 -4.818 1.00 0.38 H new ATOM 0 HA ILE A 101 -9.427 1.688 -4.636 1.00 0.43 H new ATOM 0 HB ILE A 101 -10.200 4.082 -3.008 1.00 0.47 H new ATOM 0 HG12 ILE A 101 -8.899 2.767 -1.284 1.00 0.45 H new ATOM 0 HG13 ILE A 101 -8.745 1.444 -2.423 1.00 0.45 H new ATOM 0 HG21 ILE A 101 -11.367 2.653 -1.341 1.00 0.48 H new ATOM 0 HG22 ILE A 101 -12.241 2.675 -2.891 1.00 0.48 H new ATOM 0 HG23 ILE A 101 -11.247 1.266 -2.450 1.00 0.48 H new ATOM 0 HD11 ILE A 101 -6.716 2.873 -2.461 1.00 1.51 H new ATOM 0 HD12 ILE A 101 -7.557 2.944 -4.027 1.00 1.51 H new ATOM 0 HD13 ILE A 101 -7.714 4.288 -2.871 1.00 1.51 H new ATOM 1565 N ASN A 102 -12.209 3.312 -5.246 1.00 0.54 N ATOM 1566 CA ASN A 102 -13.588 3.118 -5.757 1.00 0.60 C ATOM 1567 C ASN A 102 -13.529 2.441 -7.123 1.00 0.56 C ATOM 1568 O ASN A 102 -14.525 1.968 -7.632 1.00 0.60 O ATOM 1569 CB ASN A 102 -14.272 4.476 -5.883 1.00 0.68 C ATOM 1570 CG ASN A 102 -15.110 4.503 -7.159 1.00 0.73 C ATOM 1571 OD1 ASN A 102 -16.286 4.197 -7.152 1.00 0.69 O ATOM 1572 ND2 ASN A 102 -14.542 4.860 -8.277 1.00 2.09 N ATOM 0 H ASN A 102 -11.940 4.279 -5.062 1.00 0.54 H new ATOM 0 HA ASN A 102 -14.153 2.490 -5.068 1.00 0.60 H new ATOM 0 HB2 ASN A 102 -14.905 4.659 -5.015 1.00 0.68 H new ATOM 0 HB3 ASN A 102 -13.526 5.271 -5.907 1.00 0.68 H new ATOM 0 HD21 ASN A 102 -15.084 4.882 -9.141 1.00 2.09 H new ATOM 0 HD22 ASN A 102 -13.555 5.118 -8.288 1.00 2.09 H new ATOM 1579 N GLU A 103 -12.352 2.410 -7.690 1.00 0.48 N ATOM 1580 CA GLU A 103 -12.202 1.765 -9.019 1.00 0.46 C ATOM 1581 C GLU A 103 -12.172 0.240 -8.866 1.00 0.44 C ATOM 1582 O GLU A 103 -12.884 -0.464 -9.556 1.00 0.49 O ATOM 1583 CB GLU A 103 -10.899 2.240 -9.662 1.00 0.42 C ATOM 1584 CG GLU A 103 -11.068 2.250 -11.184 1.00 0.56 C ATOM 1585 CD GLU A 103 -11.860 3.492 -11.598 1.00 1.75 C ATOM 1586 OE1 GLU A 103 -11.252 4.550 -11.590 1.00 2.12 O ATOM 1587 OE2 GLU A 103 -13.029 3.314 -11.898 1.00 2.68 O ATOM 0 H GLU A 103 -11.498 2.800 -7.292 1.00 0.48 H new ATOM 0 HA GLU A 103 -13.048 2.039 -9.649 1.00 0.46 H new ATOM 0 HB2 GLU A 103 -10.645 3.238 -9.305 1.00 0.42 H new ATOM 0 HB3 GLU A 103 -10.078 1.582 -9.379 1.00 0.42 H new ATOM 0 HG2 GLU A 103 -10.092 2.249 -11.670 1.00 0.56 H new ATOM 0 HG3 GLU A 103 -11.587 1.349 -11.509 1.00 0.56 H new ATOM 1594 N LEU A 104 -11.349 -0.239 -7.960 1.00 0.43 N ATOM 1595 CA LEU A 104 -11.258 -1.723 -7.758 1.00 0.47 C ATOM 1596 C LEU A 104 -12.002 -2.146 -6.481 1.00 0.68 C ATOM 1597 O LEU A 104 -11.995 -3.305 -6.118 1.00 0.84 O ATOM 1598 CB LEU A 104 -9.786 -2.134 -7.635 1.00 0.46 C ATOM 1599 CG LEU A 104 -8.964 -1.490 -8.759 1.00 0.33 C ATOM 1600 CD1 LEU A 104 -7.555 -2.091 -8.751 1.00 0.47 C ATOM 1601 CD2 LEU A 104 -9.624 -1.778 -10.114 1.00 0.21 C ATOM 0 H LEU A 104 -10.745 0.323 -7.360 1.00 0.43 H new ATOM 0 HA LEU A 104 -11.717 -2.215 -8.615 1.00 0.47 H new ATOM 0 HB2 LEU A 104 -9.394 -1.827 -6.665 1.00 0.46 H new ATOM 0 HB3 LEU A 104 -9.698 -3.219 -7.685 1.00 0.46 H new ATOM 0 HG LEU A 104 -8.914 -0.412 -8.603 1.00 0.33 H new ATOM 0 HD11 LEU A 104 -6.962 -1.640 -9.547 1.00 0.47 H new ATOM 0 HD12 LEU A 104 -7.081 -1.894 -7.789 1.00 0.47 H new ATOM 0 HD13 LEU A 104 -7.618 -3.167 -8.911 1.00 0.47 H new ATOM 0 HD21 LEU A 104 -9.037 -1.319 -10.909 1.00 0.21 H new ATOM 0 HD22 LEU A 104 -9.672 -2.855 -10.274 1.00 0.21 H new ATOM 0 HD23 LEU A 104 -10.633 -1.365 -10.123 1.00 0.21 H new ATOM 1613 N VAL A 105 -12.627 -1.203 -5.824 1.00 0.69 N ATOM 1614 CA VAL A 105 -13.364 -1.560 -4.572 1.00 0.91 C ATOM 1615 C VAL A 105 -14.239 -2.796 -4.807 1.00 1.11 C ATOM 1616 O VAL A 105 -14.383 -3.546 -3.855 1.00 2.28 O ATOM 1617 CB VAL A 105 -14.246 -0.387 -4.149 1.00 0.84 C ATOM 1618 CG1 VAL A 105 -15.284 -0.115 -5.239 1.00 0.81 C ATOM 1619 CG2 VAL A 105 -14.966 -0.745 -2.846 1.00 0.82 C ATOM 1620 OXT VAL A 105 -14.713 -2.921 -5.924 1.00 0.72 O ATOM 0 H VAL A 105 -12.660 -0.219 -6.092 1.00 0.69 H new ATOM 0 HA VAL A 105 -12.642 -1.780 -3.786 1.00 0.91 H new ATOM 0 HB VAL A 105 -13.631 0.500 -4.000 1.00 0.84 H new ATOM 0 HG11 VAL A 105 -15.915 0.722 -4.940 1.00 0.81 H new ATOM 0 HG12 VAL A 105 -14.776 0.129 -6.172 1.00 0.81 H new ATOM 0 HG13 VAL A 105 -15.901 -1.002 -5.383 1.00 0.81 H new ATOM 0 HG21 VAL A 105 -15.598 0.088 -2.538 1.00 0.82 H new ATOM 0 HG22 VAL A 105 -15.583 -1.630 -3.003 1.00 0.82 H new ATOM 0 HG23 VAL A 105 -14.230 -0.949 -2.068 1.00 0.82 H new