USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 817 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc=-0.00289 X(o=-0.0029,f=-0.0053) USER MOD Single : A 7 SER OG : rot 33:sc= 0.255 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= -2.01 K(o=-2,f=-0.35) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 115:sc= 0.121 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc=-0.00975 X(o=-0.0097,f=-0.045) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -120:sc= -1.34! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.231 K(o=-0.23,f=-2!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.117) USER MOD Single : A 69 TYR OH : rot -76:sc= 0.735 USER MOD Single : A 76 THR OG1 : rot -62:sc= 1.25 USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= -0.0208 (180deg=-0.175) USER MOD Single : A 82 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.17) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0699 K(o=-0.07,f=-4.8!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.94 K(o=-1.9,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 0.442 -3.777 -2.529 1.00 0.40 N ATOM 21 CA VAL A 2 -0.998 -3.684 -2.789 1.00 0.33 C ATOM 22 C VAL A 2 -1.232 -3.336 -4.262 1.00 0.29 C ATOM 23 O VAL A 2 -0.381 -2.682 -4.870 1.00 0.31 O ATOM 24 CB VAL A 2 -1.643 -2.589 -1.889 1.00 0.36 C ATOM 25 CG1 VAL A 2 -3.073 -2.270 -2.308 1.00 0.30 C ATOM 26 CG2 VAL A 2 -1.610 -2.989 -0.419 1.00 0.42 C ATOM 0 HA VAL A 2 -1.458 -4.645 -2.560 1.00 0.33 H new ATOM 0 HB VAL A 2 -1.044 -1.688 -2.022 1.00 0.36 H new ATOM 0 HG11 VAL A 2 -3.481 -1.501 -1.652 1.00 0.30 H new ATOM 0 HG12 VAL A 2 -3.079 -1.910 -3.337 1.00 0.30 H new ATOM 0 HG13 VAL A 2 -3.683 -3.171 -2.235 1.00 0.30 H new ATOM 0 HG21 VAL A 2 -2.068 -2.203 0.182 1.00 0.42 H new ATOM 0 HG22 VAL A 2 -2.162 -3.919 -0.282 1.00 0.42 H new ATOM 0 HG23 VAL A 2 -0.576 -3.131 -0.104 1.00 0.42 H new ATOM 36 N LYS A 3 -2.361 -3.757 -4.866 1.00 0.25 N ATOM 37 CA LYS A 3 -2.575 -3.418 -6.264 1.00 0.24 C ATOM 38 C LYS A 3 -4.032 -3.126 -6.560 1.00 0.21 C ATOM 39 O LYS A 3 -4.926 -3.925 -6.292 1.00 0.20 O ATOM 40 CB LYS A 3 -2.036 -4.493 -7.216 1.00 0.26 C ATOM 41 CG LYS A 3 -2.218 -5.929 -6.752 1.00 0.28 C ATOM 42 CD LYS A 3 -1.833 -6.901 -7.862 1.00 0.90 C ATOM 43 CE LYS A 3 -1.211 -8.177 -7.316 1.00 1.00 C ATOM 44 NZ LYS A 3 0.277 -8.109 -7.302 1.00 1.43 N ATOM 0 H LYS A 3 -3.099 -4.305 -4.424 1.00 0.25 H new ATOM 0 HA LYS A 3 -2.005 -2.506 -6.443 1.00 0.24 H new ATOM 0 HB2 LYS A 3 -2.527 -4.377 -8.182 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.973 -4.313 -7.375 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -1.604 -6.113 -5.870 1.00 0.28 H new ATOM 0 HG3 LYS A 3 -3.255 -6.094 -6.459 1.00 0.28 H new ATOM 0 HD2 LYS A 3 -2.718 -7.151 -8.447 1.00 0.90 H new ATOM 0 HD3 LYS A 3 -1.130 -6.417 -8.539 1.00 0.90 H new ATOM 0 HE2 LYS A 3 -1.576 -8.354 -6.304 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -1.530 -9.025 -7.923 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.662 -8.998 -6.923 1.00 1.43 H new ATOM 0 HZ2 LYS A 3 0.627 -7.965 -8.271 1.00 1.43 H new ATOM 0 HZ3 LYS A 3 0.583 -7.316 -6.702 1.00 1.43 H new ATOM 58 N GLN A 4 -4.241 -1.943 -7.110 1.00 0.21 N ATOM 59 CA GLN A 4 -5.562 -1.464 -7.458 1.00 0.21 C ATOM 60 C GLN A 4 -6.055 -2.140 -8.742 1.00 0.19 C ATOM 61 O GLN A 4 -5.430 -2.006 -9.793 1.00 0.21 O ATOM 62 CB GLN A 4 -5.484 0.057 -7.643 1.00 0.24 C ATOM 63 CG GLN A 4 -6.803 0.739 -7.963 1.00 0.87 C ATOM 64 CD GLN A 4 -7.147 1.826 -6.963 1.00 1.61 C ATOM 65 OE1 GLN A 4 -6.386 2.777 -6.773 1.00 2.28 O ATOM 66 NE2 GLN A 4 -8.295 1.687 -6.314 1.00 1.95 N ATOM 0 H GLN A 4 -3.492 -1.285 -7.328 1.00 0.21 H new ATOM 0 HA GLN A 4 -6.270 -1.706 -6.666 1.00 0.21 H new ATOM 0 HB2 GLN A 4 -5.078 0.497 -6.732 1.00 0.24 H new ATOM 0 HB3 GLN A 4 -4.778 0.274 -8.444 1.00 0.24 H new ATOM 0 HG2 GLN A 4 -6.753 1.171 -8.963 1.00 0.87 H new ATOM 0 HG3 GLN A 4 -7.600 -0.005 -7.976 1.00 0.87 H new ATOM 0 HE21 GLN A 4 -8.894 0.883 -6.503 1.00 1.95 H new ATOM 0 HE22 GLN A 4 -8.579 2.384 -5.625 1.00 1.95 H new ATOM 75 N ILE A 5 -7.181 -2.853 -8.665 1.00 0.19 N ATOM 76 CA ILE A 5 -7.731 -3.519 -9.851 1.00 0.19 C ATOM 77 C ILE A 5 -8.890 -2.732 -10.433 1.00 0.22 C ATOM 78 O ILE A 5 -9.947 -2.616 -9.815 1.00 0.24 O ATOM 79 CB ILE A 5 -8.223 -4.953 -9.571 1.00 0.19 C ATOM 80 CG1 ILE A 5 -7.062 -5.859 -9.196 1.00 0.32 C ATOM 81 CG2 ILE A 5 -8.936 -5.513 -10.794 1.00 0.36 C ATOM 82 CD1 ILE A 5 -6.524 -5.590 -7.823 1.00 0.18 C ATOM 0 H ILE A 5 -7.723 -2.984 -7.811 1.00 0.19 H new ATOM 0 HA ILE A 5 -6.904 -3.569 -10.559 1.00 0.19 H new ATOM 0 HB ILE A 5 -8.920 -4.915 -8.734 1.00 0.19 H new ATOM 0 HG12 ILE A 5 -7.386 -6.898 -9.255 1.00 0.32 H new ATOM 0 HG13 ILE A 5 -6.261 -5.733 -9.924 1.00 0.32 H new ATOM 0 HG21 ILE A 5 -9.279 -6.526 -10.583 1.00 0.36 H new ATOM 0 HG22 ILE A 5 -9.792 -4.883 -11.036 1.00 0.36 H new ATOM 0 HG23 ILE A 5 -8.248 -5.531 -11.640 1.00 0.36 H new ATOM 0 HD11 ILE A 5 -5.697 -6.270 -7.616 1.00 0.18 H new ATOM 0 HD12 ILE A 5 -6.170 -4.561 -7.766 1.00 0.18 H new ATOM 0 HD13 ILE A 5 -7.313 -5.744 -7.087 1.00 0.18 H new ATOM 94 N GLU A 6 -8.692 -2.203 -11.630 1.00 0.22 N ATOM 95 CA GLU A 6 -9.730 -1.436 -12.294 1.00 0.26 C ATOM 96 C GLU A 6 -10.459 -2.250 -13.359 1.00 0.24 C ATOM 97 O GLU A 6 -11.159 -1.690 -14.204 1.00 0.27 O ATOM 98 CB GLU A 6 -9.141 -0.168 -12.899 1.00 0.30 C ATOM 99 CG GLU A 6 -9.210 1.020 -11.957 1.00 0.50 C ATOM 100 CD GLU A 6 -8.305 2.156 -12.384 1.00 0.71 C ATOM 101 OE1 GLU A 6 -7.130 2.168 -11.964 1.00 1.37 O ATOM 102 OE2 GLU A 6 -8.773 3.034 -13.139 1.00 1.38 O ATOM 0 H GLU A 6 -7.824 -2.291 -12.159 1.00 0.22 H new ATOM 0 HA GLU A 6 -10.468 -1.164 -11.540 1.00 0.26 H new ATOM 0 HB2 GLU A 6 -8.101 -0.350 -13.172 1.00 0.30 H new ATOM 0 HB3 GLU A 6 -9.674 0.072 -13.819 1.00 0.30 H new ATOM 0 HG2 GLU A 6 -10.238 1.379 -11.906 1.00 0.50 H new ATOM 0 HG3 GLU A 6 -8.934 0.699 -10.953 1.00 0.50 H new ATOM 109 N SER A 7 -10.306 -3.566 -13.319 1.00 0.22 N ATOM 110 CA SER A 7 -10.970 -4.434 -14.294 1.00 0.22 C ATOM 111 C SER A 7 -11.204 -5.826 -13.724 1.00 0.21 C ATOM 112 O SER A 7 -10.560 -6.229 -12.759 1.00 0.25 O ATOM 113 CB SER A 7 -10.151 -4.523 -15.586 1.00 0.22 C ATOM 114 OG SER A 7 -10.559 -3.530 -16.514 1.00 0.98 O ATOM 0 H SER A 7 -9.735 -4.057 -12.631 1.00 0.22 H new ATOM 0 HA SER A 7 -11.940 -3.992 -14.523 1.00 0.22 H new ATOM 0 HB2 SER A 7 -9.092 -4.401 -15.359 1.00 0.22 H new ATOM 0 HB3 SER A 7 -10.270 -5.512 -16.029 1.00 0.22 H new ATOM 0 HG SER A 7 -10.843 -2.727 -16.030 1.00 0.98 H new ATOM 120 N LYS A 8 -12.130 -6.559 -14.328 1.00 0.19 N ATOM 121 CA LYS A 8 -12.451 -7.904 -13.876 1.00 0.21 C ATOM 122 C LYS A 8 -11.372 -8.895 -14.294 1.00 0.21 C ATOM 123 O LYS A 8 -11.204 -9.944 -13.669 1.00 0.23 O ATOM 124 CB LYS A 8 -13.816 -8.319 -14.427 1.00 0.24 C ATOM 125 CG LYS A 8 -14.288 -9.687 -13.963 1.00 0.27 C ATOM 126 CD LYS A 8 -14.938 -10.459 -15.098 1.00 0.54 C ATOM 127 CE LYS A 8 -13.902 -11.200 -15.925 1.00 1.22 C ATOM 128 NZ LYS A 8 -14.392 -12.535 -16.363 1.00 1.65 N ATOM 0 H LYS A 8 -12.672 -6.244 -15.133 1.00 0.19 H new ATOM 0 HA LYS A 8 -12.493 -7.907 -12.787 1.00 0.21 H new ATOM 0 HB2 LYS A 8 -14.555 -7.574 -14.133 1.00 0.24 H new ATOM 0 HB3 LYS A 8 -13.772 -8.313 -15.516 1.00 0.24 H new ATOM 0 HG2 LYS A 8 -13.442 -10.253 -13.572 1.00 0.27 H new ATOM 0 HG3 LYS A 8 -14.999 -9.571 -13.145 1.00 0.27 H new ATOM 0 HD2 LYS A 8 -15.658 -11.169 -14.692 1.00 0.54 H new ATOM 0 HD3 LYS A 8 -15.493 -9.772 -15.737 1.00 0.54 H new ATOM 0 HE2 LYS A 8 -13.642 -10.604 -16.800 1.00 1.22 H new ATOM 0 HE3 LYS A 8 -12.990 -11.322 -15.340 1.00 1.22 H new ATOM 0 HZ1 LYS A 8 -13.655 -13.008 -16.925 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 -14.616 -13.114 -15.528 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 -15.247 -12.418 -16.943 1.00 1.65 H new ATOM 142 N THR A 9 -10.627 -8.549 -15.340 1.00 0.20 N ATOM 143 CA THR A 9 -9.549 -9.400 -15.820 1.00 0.21 C ATOM 144 C THR A 9 -8.319 -9.217 -14.939 1.00 0.20 C ATOM 145 O THR A 9 -7.527 -10.140 -14.756 1.00 0.22 O ATOM 146 CB THR A 9 -9.211 -9.074 -17.276 1.00 0.22 C ATOM 147 OG1 THR A 9 -10.391 -8.883 -18.036 1.00 0.63 O ATOM 148 CG2 THR A 9 -8.399 -10.157 -17.953 1.00 0.80 C ATOM 0 H THR A 9 -10.752 -7.686 -15.869 1.00 0.20 H new ATOM 0 HA THR A 9 -9.874 -10.439 -15.771 1.00 0.21 H new ATOM 0 HB THR A 9 -8.616 -8.161 -17.239 1.00 0.22 H new ATOM 0 HG1 THR A 9 -10.153 -8.674 -18.963 1.00 0.63 H new ATOM 0 HG21 THR A 9 -8.192 -9.866 -18.983 1.00 0.80 H new ATOM 0 HG22 THR A 9 -7.459 -10.295 -17.419 1.00 0.80 H new ATOM 0 HG23 THR A 9 -8.961 -11.091 -17.946 1.00 0.80 H new ATOM 156 N ALA A 10 -8.181 -8.016 -14.384 1.00 0.18 N ATOM 157 CA ALA A 10 -7.066 -7.697 -13.504 1.00 0.18 C ATOM 158 C ALA A 10 -7.184 -8.469 -12.192 1.00 0.22 C ATOM 159 O ALA A 10 -6.199 -8.996 -11.679 1.00 0.24 O ATOM 160 CB ALA A 10 -7.030 -6.198 -13.232 1.00 0.18 C ATOM 0 H ALA A 10 -8.833 -7.245 -14.531 1.00 0.18 H new ATOM 0 HA ALA A 10 -6.138 -7.990 -13.995 1.00 0.18 H new ATOM 0 HB1 ALA A 10 -6.193 -5.968 -12.573 1.00 0.18 H new ATOM 0 HB2 ALA A 10 -6.910 -5.660 -14.173 1.00 0.18 H new ATOM 0 HB3 ALA A 10 -7.962 -5.892 -12.756 1.00 0.18 H new ATOM 166 N PHE A 11 -8.408 -8.542 -11.663 1.00 0.25 N ATOM 167 CA PHE A 11 -8.678 -9.250 -10.412 1.00 0.31 C ATOM 168 C PHE A 11 -8.220 -10.695 -10.509 1.00 0.24 C ATOM 169 O PHE A 11 -7.483 -11.181 -9.650 1.00 0.26 O ATOM 170 CB PHE A 11 -10.180 -9.157 -10.093 1.00 0.41 C ATOM 171 CG PHE A 11 -10.541 -9.497 -8.675 1.00 0.49 C ATOM 172 CD1 PHE A 11 -9.933 -8.848 -7.611 1.00 0.32 C ATOM 173 CD2 PHE A 11 -11.489 -10.469 -8.406 1.00 1.03 C ATOM 174 CE1 PHE A 11 -10.266 -9.163 -6.308 1.00 0.39 C ATOM 175 CE2 PHE A 11 -11.828 -10.787 -7.104 1.00 1.13 C ATOM 176 CZ PHE A 11 -11.213 -10.135 -6.054 1.00 0.70 C ATOM 0 H PHE A 11 -9.232 -8.116 -12.086 1.00 0.25 H new ATOM 0 HA PHE A 11 -8.119 -8.786 -9.600 1.00 0.31 H new ATOM 0 HB2 PHE A 11 -10.522 -8.144 -10.308 1.00 0.41 H new ATOM 0 HB3 PHE A 11 -10.722 -9.825 -10.762 1.00 0.41 H new ATOM 0 HD1 PHE A 11 -9.191 -8.088 -7.803 1.00 0.32 H new ATOM 0 HD2 PHE A 11 -11.970 -10.985 -9.224 1.00 1.03 H new ATOM 0 HE1 PHE A 11 -9.786 -8.649 -5.488 1.00 0.39 H new ATOM 0 HE2 PHE A 11 -12.573 -11.544 -6.909 1.00 1.13 H new ATOM 0 HZ PHE A 11 -11.472 -10.385 -5.036 1.00 0.70 H new ATOM 186 N GLN A 12 -8.615 -11.371 -11.580 1.00 0.21 N ATOM 187 CA GLN A 12 -8.194 -12.748 -11.790 1.00 0.19 C ATOM 188 C GLN A 12 -6.677 -12.782 -11.905 1.00 0.20 C ATOM 189 O GLN A 12 -6.019 -13.707 -11.430 1.00 0.20 O ATOM 190 CB GLN A 12 -8.825 -13.331 -13.057 1.00 0.22 C ATOM 191 CG GLN A 12 -10.334 -13.168 -13.129 1.00 0.25 C ATOM 192 CD GLN A 12 -11.059 -13.974 -12.065 1.00 0.54 C ATOM 193 OE1 GLN A 12 -11.752 -14.944 -12.371 1.00 0.89 O ATOM 194 NE2 GLN A 12 -10.896 -13.574 -10.808 1.00 0.94 N ATOM 0 H GLN A 12 -9.220 -10.993 -12.309 1.00 0.21 H new ATOM 0 HA GLN A 12 -8.523 -13.353 -10.945 1.00 0.19 H new ATOM 0 HB2 GLN A 12 -8.376 -12.852 -13.927 1.00 0.22 H new ATOM 0 HB3 GLN A 12 -8.581 -14.392 -13.116 1.00 0.22 H new ATOM 0 HG2 GLN A 12 -10.588 -12.114 -13.017 1.00 0.25 H new ATOM 0 HG3 GLN A 12 -10.683 -13.477 -14.114 1.00 0.25 H new ATOM 0 HE21 GLN A 12 -10.312 -12.764 -10.602 1.00 0.94 H new ATOM 0 HE22 GLN A 12 -11.355 -14.077 -10.049 1.00 0.94 H new ATOM 203 N GLU A 13 -6.141 -11.750 -12.545 1.00 0.22 N ATOM 204 CA GLU A 13 -4.709 -11.618 -12.750 1.00 0.24 C ATOM 205 C GLU A 13 -3.951 -11.516 -11.427 1.00 0.25 C ATOM 206 O GLU A 13 -2.916 -12.160 -11.253 1.00 0.26 O ATOM 207 CB GLU A 13 -4.428 -10.397 -13.630 1.00 0.27 C ATOM 208 CG GLU A 13 -4.211 -10.760 -15.086 1.00 0.81 C ATOM 209 CD GLU A 13 -3.788 -9.577 -15.936 1.00 0.86 C ATOM 210 OE1 GLU A 13 -4.399 -8.497 -15.801 1.00 1.24 O ATOM 211 OE2 GLU A 13 -2.845 -9.733 -16.742 1.00 1.40 O ATOM 0 H GLU A 13 -6.689 -10.983 -12.935 1.00 0.22 H new ATOM 0 HA GLU A 13 -4.353 -12.517 -13.252 1.00 0.24 H new ATOM 0 HB2 GLU A 13 -5.263 -9.700 -13.554 1.00 0.27 H new ATOM 0 HB3 GLU A 13 -3.546 -9.879 -13.254 1.00 0.27 H new ATOM 0 HG2 GLU A 13 -3.450 -11.538 -15.151 1.00 0.81 H new ATOM 0 HG3 GLU A 13 -5.132 -11.180 -15.491 1.00 0.81 H new ATOM 218 N ALA A 14 -4.460 -10.710 -10.495 1.00 0.24 N ATOM 219 CA ALA A 14 -3.811 -10.548 -9.197 1.00 0.26 C ATOM 220 C ALA A 14 -3.977 -11.793 -8.334 1.00 0.27 C ATOM 221 O ALA A 14 -3.097 -12.137 -7.544 1.00 0.28 O ATOM 222 CB ALA A 14 -4.358 -9.329 -8.471 1.00 0.25 C ATOM 0 H ALA A 14 -5.313 -10.164 -10.614 1.00 0.24 H new ATOM 0 HA ALA A 14 -2.746 -10.401 -9.378 1.00 0.26 H new ATOM 0 HB1 ALA A 14 -3.861 -9.227 -7.506 1.00 0.25 H new ATOM 0 HB2 ALA A 14 -4.175 -8.437 -9.070 1.00 0.25 H new ATOM 0 HB3 ALA A 14 -5.430 -9.449 -8.316 1.00 0.25 H new ATOM 228 N LEU A 15 -5.113 -12.465 -8.487 1.00 0.27 N ATOM 229 CA LEU A 15 -5.392 -13.668 -7.711 1.00 0.29 C ATOM 230 C LEU A 15 -4.400 -14.778 -8.064 1.00 0.32 C ATOM 231 O LEU A 15 -3.905 -15.504 -7.187 1.00 0.34 O ATOM 232 CB LEU A 15 -6.834 -14.133 -7.957 1.00 0.28 C ATOM 233 CG LEU A 15 -7.899 -13.413 -7.126 1.00 0.29 C ATOM 234 CD1 LEU A 15 -9.295 -13.776 -7.612 1.00 0.29 C ATOM 235 CD2 LEU A 15 -7.744 -13.753 -5.649 1.00 0.40 C ATOM 0 H LEU A 15 -5.852 -12.199 -9.138 1.00 0.27 H new ATOM 0 HA LEU A 15 -5.278 -13.434 -6.652 1.00 0.29 H new ATOM 0 HB2 LEU A 15 -7.067 -13.999 -9.013 1.00 0.28 H new ATOM 0 HB3 LEU A 15 -6.895 -15.201 -7.750 1.00 0.28 H new ATOM 0 HG LEU A 15 -7.761 -12.339 -7.250 1.00 0.29 H new ATOM 0 HD11 LEU A 15 -10.038 -13.254 -7.008 1.00 0.29 H new ATOM 0 HD12 LEU A 15 -9.405 -13.483 -8.656 1.00 0.29 H new ATOM 0 HD13 LEU A 15 -9.444 -14.852 -7.520 1.00 0.29 H new ATOM 0 HD21 LEU A 15 -8.509 -13.232 -5.074 1.00 0.40 H new ATOM 0 HD22 LEU A 15 -7.854 -14.828 -5.510 1.00 0.40 H new ATOM 0 HD23 LEU A 15 -6.757 -13.442 -5.306 1.00 0.40 H new ATOM 247 N ASP A 16 -4.095 -14.899 -9.353 1.00 0.32 N ATOM 248 CA ASP A 16 -3.155 -15.911 -9.809 1.00 0.34 C ATOM 249 C ASP A 16 -1.786 -15.692 -9.177 1.00 0.32 C ATOM 250 O ASP A 16 -1.035 -16.643 -8.955 1.00 0.31 O ATOM 251 CB ASP A 16 -3.035 -15.878 -11.334 1.00 0.36 C ATOM 252 CG ASP A 16 -4.017 -16.812 -12.013 1.00 0.95 C ATOM 253 OD1 ASP A 16 -3.817 -18.044 -11.935 1.00 1.54 O ATOM 254 OD2 ASP A 16 -4.985 -16.314 -12.623 1.00 1.84 O ATOM 0 H ASP A 16 -4.483 -14.313 -10.092 1.00 0.32 H new ATOM 0 HA ASP A 16 -3.530 -16.888 -9.504 1.00 0.34 H new ATOM 0 HB2 ASP A 16 -3.203 -14.860 -11.687 1.00 0.36 H new ATOM 0 HB3 ASP A 16 -2.020 -16.152 -11.622 1.00 0.36 H new ATOM 259 N ALA A 17 -1.474 -14.434 -8.876 1.00 0.32 N ATOM 260 CA ALA A 17 -0.205 -14.086 -8.251 1.00 0.31 C ATOM 261 C ALA A 17 -0.203 -14.412 -6.760 1.00 0.21 C ATOM 262 O ALA A 17 0.855 -14.611 -6.165 1.00 0.31 O ATOM 263 CB ALA A 17 0.098 -12.610 -8.455 1.00 0.43 C ATOM 0 H ALA A 17 -2.086 -13.638 -9.056 1.00 0.32 H new ATOM 0 HA ALA A 17 0.570 -14.685 -8.729 1.00 0.31 H new ATOM 0 HB1 ALA A 17 1.049 -12.365 -7.982 1.00 0.43 H new ATOM 0 HB2 ALA A 17 0.157 -12.395 -9.522 1.00 0.43 H new ATOM 0 HB3 ALA A 17 -0.695 -12.011 -8.007 1.00 0.43 H new ATOM 269 N ALA A 18 -1.391 -14.471 -6.161 1.00 0.29 N ATOM 270 CA ALA A 18 -1.505 -14.775 -4.743 1.00 0.37 C ATOM 271 C ALA A 18 -1.202 -16.234 -4.467 1.00 0.29 C ATOM 272 O ALA A 18 -0.757 -16.579 -3.374 1.00 0.66 O ATOM 273 CB ALA A 18 -2.878 -14.410 -4.213 1.00 0.58 C ATOM 0 H ALA A 18 -2.280 -14.313 -6.635 1.00 0.29 H new ATOM 0 HA ALA A 18 -0.765 -14.169 -4.220 1.00 0.37 H new ATOM 0 HB1 ALA A 18 -2.933 -14.649 -3.151 1.00 0.58 H new ATOM 0 HB2 ALA A 18 -3.051 -13.343 -4.355 1.00 0.58 H new ATOM 0 HB3 ALA A 18 -3.638 -14.976 -4.752 1.00 0.58 H new ATOM 279 N GLY A 19 -1.421 -17.108 -5.451 1.00 0.35 N ATOM 280 CA GLY A 19 -1.128 -18.516 -5.240 1.00 0.49 C ATOM 281 C GLY A 19 -1.766 -19.078 -3.991 1.00 0.48 C ATOM 282 O GLY A 19 -2.990 -19.111 -3.865 1.00 1.04 O ATOM 0 H GLY A 19 -1.789 -16.871 -6.372 1.00 0.35 H new ATOM 0 HA2 GLY A 19 -1.473 -19.085 -6.103 1.00 0.49 H new ATOM 0 HA3 GLY A 19 -0.048 -18.650 -5.180 1.00 0.49 H new ATOM 286 N ASP A 20 -0.929 -19.525 -3.068 1.00 0.24 N ATOM 287 CA ASP A 20 -1.404 -20.097 -1.821 1.00 0.17 C ATOM 288 C ASP A 20 -1.428 -19.057 -0.713 1.00 0.15 C ATOM 289 O ASP A 20 -1.632 -19.391 0.454 1.00 0.15 O ATOM 290 CB ASP A 20 -0.505 -21.261 -1.412 1.00 0.31 C ATOM 291 CG ASP A 20 -0.392 -22.306 -2.501 1.00 1.51 C ATOM 292 OD1 ASP A 20 0.508 -22.175 -3.357 1.00 2.36 O ATOM 293 OD2 ASP A 20 -1.206 -23.253 -2.501 1.00 2.28 O ATOM 0 H ASP A 20 0.086 -19.502 -3.161 1.00 0.24 H new ATOM 0 HA ASP A 20 -2.422 -20.454 -1.977 1.00 0.17 H new ATOM 0 HB2 ASP A 20 0.488 -20.883 -1.169 1.00 0.31 H new ATOM 0 HB3 ASP A 20 -0.900 -21.723 -0.507 1.00 0.31 H new ATOM 298 N LYS A 21 -1.235 -17.792 -1.073 1.00 0.18 N ATOM 299 CA LYS A 21 -1.256 -16.724 -0.097 1.00 0.18 C ATOM 300 C LYS A 21 -2.686 -16.312 0.185 1.00 0.16 C ATOM 301 O LYS A 21 -3.558 -16.422 -0.680 1.00 0.17 O ATOM 302 CB LYS A 21 -0.442 -15.529 -0.597 1.00 0.23 C ATOM 303 CG LYS A 21 1.053 -15.799 -0.616 1.00 0.36 C ATOM 304 CD LYS A 21 1.844 -14.605 -1.128 1.00 0.54 C ATOM 305 CE LYS A 21 3.338 -14.791 -0.898 1.00 1.04 C ATOM 306 NZ LYS A 21 4.110 -14.732 -2.170 1.00 1.82 N ATOM 0 H LYS A 21 -1.063 -17.489 -2.032 1.00 0.18 H new ATOM 0 HA LYS A 21 -0.805 -17.082 0.828 1.00 0.18 H new ATOM 0 HB2 LYS A 21 -0.772 -15.266 -1.602 1.00 0.23 H new ATOM 0 HB3 LYS A 21 -0.643 -14.667 0.040 1.00 0.23 H new ATOM 0 HG2 LYS A 21 1.388 -16.051 0.390 1.00 0.36 H new ATOM 0 HG3 LYS A 21 1.256 -16.665 -1.246 1.00 0.36 H new ATOM 0 HD2 LYS A 21 1.652 -14.468 -2.192 1.00 0.54 H new ATOM 0 HD3 LYS A 21 1.506 -13.699 -0.624 1.00 0.54 H new ATOM 0 HE2 LYS A 21 3.699 -14.019 -0.219 1.00 1.04 H new ATOM 0 HE3 LYS A 21 3.513 -15.751 -0.412 1.00 1.04 H new ATOM 0 HZ1 LYS A 21 5.122 -14.863 -1.968 1.00 1.82 H new ATOM 0 HZ2 LYS A 21 3.784 -15.485 -2.809 1.00 1.82 H new ATOM 0 HZ3 LYS A 21 3.964 -13.807 -2.622 1.00 1.82 H new ATOM 320 N LEU A 22 -2.926 -15.829 1.385 1.00 0.16 N ATOM 321 CA LEU A 22 -4.255 -15.397 1.759 1.00 0.16 C ATOM 322 C LEU A 22 -4.551 -14.049 1.123 1.00 0.17 C ATOM 323 O LEU A 22 -3.822 -13.082 1.340 1.00 0.23 O ATOM 324 CB LEU A 22 -4.371 -15.304 3.282 1.00 0.16 C ATOM 325 CG LEU A 22 -5.683 -14.716 3.814 1.00 0.20 C ATOM 326 CD1 LEU A 22 -6.836 -14.999 2.862 1.00 0.28 C ATOM 327 CD2 LEU A 22 -5.985 -15.278 5.192 1.00 0.19 C ATOM 0 H LEU A 22 -2.222 -15.726 2.115 1.00 0.16 H new ATOM 0 HA LEU A 22 -4.983 -16.126 1.402 1.00 0.16 H new ATOM 0 HB2 LEU A 22 -4.247 -16.303 3.699 1.00 0.16 H new ATOM 0 HB3 LEU A 22 -3.545 -14.698 3.655 1.00 0.16 H new ATOM 0 HG LEU A 22 -5.567 -13.635 3.889 1.00 0.20 H new ATOM 0 HD11 LEU A 22 -7.754 -14.571 3.265 1.00 0.28 H new ATOM 0 HD12 LEU A 22 -6.623 -14.553 1.890 1.00 0.28 H new ATOM 0 HD13 LEU A 22 -6.958 -16.076 2.748 1.00 0.28 H new ATOM 0 HD21 LEU A 22 -6.919 -14.854 5.561 1.00 0.19 H new ATOM 0 HD22 LEU A 22 -6.078 -16.362 5.130 1.00 0.19 H new ATOM 0 HD23 LEU A 22 -5.175 -15.022 5.875 1.00 0.19 H new ATOM 339 N VAL A 23 -5.604 -13.985 0.321 1.00 0.16 N ATOM 340 CA VAL A 23 -5.948 -12.741 -0.346 1.00 0.17 C ATOM 341 C VAL A 23 -7.096 -12.027 0.338 1.00 0.19 C ATOM 342 O VAL A 23 -8.246 -12.467 0.302 1.00 0.22 O ATOM 343 CB VAL A 23 -6.322 -12.948 -1.828 1.00 0.19 C ATOM 344 CG1 VAL A 23 -6.187 -11.643 -2.603 1.00 0.19 C ATOM 345 CG2 VAL A 23 -5.484 -14.046 -2.467 1.00 0.22 C ATOM 0 H VAL A 23 -6.226 -14.768 0.119 1.00 0.16 H new ATOM 0 HA VAL A 23 -5.048 -12.129 -0.287 1.00 0.17 H new ATOM 0 HB VAL A 23 -7.364 -13.266 -1.866 1.00 0.19 H new ATOM 0 HG11 VAL A 23 -6.455 -11.810 -3.646 1.00 0.19 H new ATOM 0 HG12 VAL A 23 -6.852 -10.894 -2.173 1.00 0.19 H new ATOM 0 HG13 VAL A 23 -5.157 -11.290 -2.545 1.00 0.19 H new ATOM 0 HG21 VAL A 23 -5.774 -14.165 -3.511 1.00 0.22 H new ATOM 0 HG22 VAL A 23 -4.429 -13.777 -2.412 1.00 0.22 H new ATOM 0 HG23 VAL A 23 -5.647 -14.984 -1.936 1.00 0.22 H new ATOM 355 N VAL A 24 -6.773 -10.893 0.930 1.00 0.19 N ATOM 356 CA VAL A 24 -7.762 -10.068 1.586 1.00 0.23 C ATOM 357 C VAL A 24 -7.970 -8.836 0.734 1.00 0.23 C ATOM 358 O VAL A 24 -7.020 -8.121 0.413 1.00 0.25 O ATOM 359 CB VAL A 24 -7.332 -9.662 3.003 1.00 0.28 C ATOM 360 CG1 VAL A 24 -6.040 -8.868 2.959 1.00 0.30 C ATOM 361 CG2 VAL A 24 -8.434 -8.870 3.691 1.00 0.36 C ATOM 0 H VAL A 24 -5.824 -10.522 0.968 1.00 0.19 H new ATOM 0 HA VAL A 24 -8.686 -10.636 1.692 1.00 0.23 H new ATOM 0 HB VAL A 24 -7.155 -10.567 3.583 1.00 0.28 H new ATOM 0 HG11 VAL A 24 -5.750 -8.589 3.972 1.00 0.30 H new ATOM 0 HG12 VAL A 24 -5.254 -9.476 2.511 1.00 0.30 H new ATOM 0 HG13 VAL A 24 -6.186 -7.968 2.362 1.00 0.30 H new ATOM 0 HG21 VAL A 24 -8.110 -8.592 4.694 1.00 0.36 H new ATOM 0 HG22 VAL A 24 -8.648 -7.969 3.116 1.00 0.36 H new ATOM 0 HG23 VAL A 24 -9.334 -9.481 3.757 1.00 0.36 H new ATOM 371 N VAL A 25 -9.198 -8.620 0.318 1.00 0.24 N ATOM 372 CA VAL A 25 -9.494 -7.504 -0.554 1.00 0.26 C ATOM 373 C VAL A 25 -10.717 -6.721 -0.087 1.00 0.35 C ATOM 374 O VAL A 25 -11.692 -7.286 0.411 1.00 0.67 O ATOM 375 CB VAL A 25 -9.673 -8.012 -1.996 1.00 0.27 C ATOM 376 CG1 VAL A 25 -8.335 -8.421 -2.581 1.00 0.26 C ATOM 377 CG2 VAL A 25 -10.606 -9.191 -2.032 1.00 0.29 C ATOM 0 H VAL A 25 -10.002 -9.196 0.566 1.00 0.24 H new ATOM 0 HA VAL A 25 -8.653 -6.811 -0.521 1.00 0.26 H new ATOM 0 HB VAL A 25 -10.097 -7.200 -2.587 1.00 0.27 H new ATOM 0 HG11 VAL A 25 -8.478 -8.778 -3.601 1.00 0.26 H new ATOM 0 HG12 VAL A 25 -7.663 -7.563 -2.588 1.00 0.26 H new ATOM 0 HG13 VAL A 25 -7.901 -9.217 -1.975 1.00 0.26 H new ATOM 0 HG21 VAL A 25 -10.719 -9.534 -3.060 1.00 0.29 H new ATOM 0 HG22 VAL A 25 -10.197 -9.997 -1.423 1.00 0.29 H new ATOM 0 HG23 VAL A 25 -11.579 -8.897 -1.639 1.00 0.29 H new ATOM 387 N ASP A 26 -10.640 -5.405 -0.235 1.00 0.19 N ATOM 388 CA ASP A 26 -11.726 -4.529 0.185 1.00 0.23 C ATOM 389 C ASP A 26 -12.489 -3.943 -0.996 1.00 0.21 C ATOM 390 O ASP A 26 -11.897 -3.380 -1.916 1.00 0.21 O ATOM 391 CB ASP A 26 -11.201 -3.396 1.067 1.00 0.27 C ATOM 392 CG ASP A 26 -12.328 -2.619 1.722 1.00 0.35 C ATOM 393 OD1 ASP A 26 -13.492 -3.059 1.617 1.00 1.13 O ATOM 394 OD2 ASP A 26 -12.047 -1.572 2.342 1.00 1.12 O ATOM 0 H ASP A 26 -9.839 -4.922 -0.642 1.00 0.19 H new ATOM 0 HA ASP A 26 -12.418 -5.146 0.758 1.00 0.23 H new ATOM 0 HB2 ASP A 26 -10.549 -3.808 1.837 1.00 0.27 H new ATOM 0 HB3 ASP A 26 -10.595 -2.719 0.465 1.00 0.27 H new ATOM 399 N PHE A 27 -13.813 -4.040 -0.933 1.00 0.21 N ATOM 400 CA PHE A 27 -14.678 -3.488 -1.968 1.00 0.22 C ATOM 401 C PHE A 27 -15.152 -2.106 -1.523 1.00 0.22 C ATOM 402 O PHE A 27 -15.911 -1.988 -0.561 1.00 0.21 O ATOM 403 CB PHE A 27 -15.871 -4.412 -2.212 1.00 0.24 C ATOM 404 CG PHE A 27 -15.684 -5.270 -3.422 1.00 0.22 C ATOM 405 CD1 PHE A 27 -15.013 -6.477 -3.329 1.00 0.22 C ATOM 406 CD2 PHE A 27 -16.145 -4.853 -4.662 1.00 0.26 C ATOM 407 CE1 PHE A 27 -14.804 -7.258 -4.448 1.00 0.25 C ATOM 408 CE2 PHE A 27 -15.945 -5.633 -5.785 1.00 0.28 C ATOM 409 CZ PHE A 27 -15.273 -6.837 -5.679 1.00 0.27 C ATOM 0 H PHE A 27 -14.312 -4.499 -0.171 1.00 0.21 H new ATOM 0 HA PHE A 27 -14.125 -3.401 -2.903 1.00 0.22 H new ATOM 0 HB2 PHE A 27 -16.021 -5.047 -1.339 1.00 0.24 H new ATOM 0 HB3 PHE A 27 -16.774 -3.813 -2.330 1.00 0.24 H new ATOM 0 HD1 PHE A 27 -14.648 -6.812 -2.369 1.00 0.22 H new ATOM 0 HD2 PHE A 27 -16.665 -3.910 -4.751 1.00 0.26 H new ATOM 0 HE1 PHE A 27 -14.275 -8.196 -4.362 1.00 0.25 H new ATOM 0 HE2 PHE A 27 -16.313 -5.303 -6.745 1.00 0.28 H new ATOM 0 HZ PHE A 27 -15.115 -7.447 -6.556 1.00 0.27 H new ATOM 419 N SER A 28 -14.669 -1.059 -2.189 1.00 0.27 N ATOM 420 CA SER A 28 -15.019 0.305 -1.807 1.00 0.28 C ATOM 421 C SER A 28 -15.696 1.080 -2.939 1.00 0.25 C ATOM 422 O SER A 28 -16.078 0.514 -3.960 1.00 0.32 O ATOM 423 CB SER A 28 -13.753 1.036 -1.353 1.00 0.29 C ATOM 424 OG SER A 28 -12.651 0.705 -2.183 1.00 1.03 O ATOM 0 H SER A 28 -14.040 -1.129 -2.989 1.00 0.27 H new ATOM 0 HA SER A 28 -15.741 0.248 -0.992 1.00 0.28 H new ATOM 0 HB2 SER A 28 -13.921 2.113 -1.378 1.00 0.29 H new ATOM 0 HB3 SER A 28 -13.527 0.772 -0.320 1.00 0.29 H new ATOM 0 HG SER A 28 -11.854 1.185 -1.875 1.00 1.03 H new ATOM 430 N ALA A 29 -15.825 2.390 -2.730 1.00 0.23 N ATOM 431 CA ALA A 29 -16.438 3.285 -3.708 1.00 0.26 C ATOM 432 C ALA A 29 -15.873 4.696 -3.576 1.00 0.23 C ATOM 433 O ALA A 29 -15.403 5.085 -2.507 1.00 0.22 O ATOM 434 CB ALA A 29 -17.950 3.300 -3.541 1.00 0.37 C ATOM 0 H ALA A 29 -15.508 2.858 -1.881 1.00 0.23 H new ATOM 0 HA ALA A 29 -16.203 2.914 -4.706 1.00 0.26 H new ATOM 0 HB1 ALA A 29 -18.391 3.972 -4.278 1.00 0.37 H new ATOM 0 HB2 ALA A 29 -18.342 2.294 -3.687 1.00 0.37 H new ATOM 0 HB3 ALA A 29 -18.202 3.645 -2.538 1.00 0.37 H new ATOM 440 N THR A 30 -15.945 5.472 -4.654 1.00 0.30 N ATOM 441 CA THR A 30 -15.460 6.850 -4.635 1.00 0.36 C ATOM 442 C THR A 30 -16.378 7.719 -3.783 1.00 0.39 C ATOM 443 O THR A 30 -15.929 8.615 -3.069 1.00 0.42 O ATOM 444 CB THR A 30 -15.390 7.407 -6.057 1.00 0.49 C ATOM 445 OG1 THR A 30 -15.220 6.361 -6.996 1.00 1.14 O ATOM 446 CG2 THR A 30 -14.262 8.395 -6.261 1.00 1.04 C ATOM 0 H THR A 30 -16.333 5.172 -5.549 1.00 0.30 H new ATOM 0 HA THR A 30 -14.460 6.860 -4.202 1.00 0.36 H new ATOM 0 HB THR A 30 -16.336 7.927 -6.210 1.00 0.49 H new ATOM 0 HG1 THR A 30 -16.009 6.310 -7.575 1.00 1.14 H new ATOM 0 HG21 THR A 30 -14.271 8.750 -7.292 1.00 1.04 H new ATOM 0 HG22 THR A 30 -14.392 9.240 -5.585 1.00 1.04 H new ATOM 0 HG23 THR A 30 -13.309 7.908 -6.054 1.00 1.04 H new ATOM 454 N TRP A 31 -17.671 7.435 -3.883 1.00 0.41 N ATOM 455 CA TRP A 31 -18.699 8.173 -3.153 1.00 0.51 C ATOM 456 C TRP A 31 -18.918 7.594 -1.754 1.00 0.49 C ATOM 457 O TRP A 31 -19.866 7.967 -1.068 1.00 0.59 O ATOM 458 CB TRP A 31 -20.016 8.119 -3.938 1.00 0.58 C ATOM 459 CG TRP A 31 -20.491 6.711 -4.157 1.00 0.41 C ATOM 460 CD1 TRP A 31 -19.992 5.801 -5.050 1.00 0.65 C ATOM 461 CD2 TRP A 31 -21.551 6.046 -3.458 1.00 0.46 C ATOM 462 NE1 TRP A 31 -20.659 4.605 -4.922 1.00 0.78 N ATOM 463 CE2 TRP A 31 -21.623 4.735 -3.961 1.00 0.64 C ATOM 464 CE3 TRP A 31 -22.441 6.427 -2.448 1.00 0.73 C ATOM 465 CZ2 TRP A 31 -22.545 3.803 -3.489 1.00 0.89 C ATOM 466 CZ3 TRP A 31 -23.359 5.500 -1.981 1.00 0.97 C ATOM 467 CH2 TRP A 31 -23.403 4.203 -2.504 1.00 0.99 C ATOM 0 H TRP A 31 -18.038 6.687 -4.472 1.00 0.41 H new ATOM 0 HA TRP A 31 -18.364 9.205 -3.044 1.00 0.51 H new ATOM 0 HB2 TRP A 31 -20.781 8.679 -3.399 1.00 0.58 H new ATOM 0 HB3 TRP A 31 -19.882 8.609 -4.902 1.00 0.58 H new ATOM 0 HD1 TRP A 31 -19.193 5.994 -5.751 1.00 0.65 H new ATOM 0 HE1 TRP A 31 -20.466 3.758 -5.457 1.00 0.78 H new ATOM 0 HE3 TRP A 31 -22.413 7.426 -2.039 1.00 0.73 H new ATOM 0 HZ2 TRP A 31 -22.580 2.800 -3.888 1.00 0.89 H new ATOM 0 HZ3 TRP A 31 -24.051 5.783 -1.202 1.00 0.97 H new ATOM 0 HH2 TRP A 31 -24.131 3.503 -2.121 1.00 0.99 H new ATOM 478 N CYS A 32 -18.034 6.695 -1.326 1.00 0.41 N ATOM 479 CA CYS A 32 -18.145 6.104 0.002 1.00 0.49 C ATOM 480 C CYS A 32 -17.181 6.785 0.964 1.00 0.58 C ATOM 481 O CYS A 32 -16.051 7.110 0.599 1.00 0.99 O ATOM 482 CB CYS A 32 -17.875 4.594 -0.032 1.00 0.47 C ATOM 483 SG CYS A 32 -18.223 3.749 1.547 1.00 0.64 S ATOM 0 H CYS A 32 -17.241 6.364 -1.875 1.00 0.41 H new ATOM 0 HA CYS A 32 -19.167 6.256 0.350 1.00 0.49 H new ATOM 0 HB2 CYS A 32 -18.483 4.143 -0.816 1.00 0.47 H new ATOM 0 HB3 CYS A 32 -16.832 4.427 -0.301 1.00 0.47 H new ATOM 488 N GLY A 33 -17.634 7.004 2.192 1.00 0.30 N ATOM 489 CA GLY A 33 -16.794 7.646 3.186 1.00 0.33 C ATOM 490 C GLY A 33 -16.115 6.648 4.103 1.00 0.34 C ATOM 491 O GLY A 33 -14.892 6.518 4.085 1.00 0.36 O ATOM 0 H GLY A 33 -18.566 6.749 2.518 1.00 0.30 H new ATOM 0 HA2 GLY A 33 -16.036 8.247 2.683 1.00 0.33 H new ATOM 0 HA3 GLY A 33 -17.399 8.329 3.782 1.00 0.33 H new ATOM 495 N PRO A 34 -16.890 5.916 4.922 1.00 0.39 N ATOM 496 CA PRO A 34 -16.341 4.917 5.843 1.00 0.44 C ATOM 497 C PRO A 34 -15.382 3.963 5.137 1.00 0.38 C ATOM 498 O PRO A 34 -14.430 3.462 5.735 1.00 0.37 O ATOM 499 CB PRO A 34 -17.583 4.169 6.334 1.00 0.55 C ATOM 500 CG PRO A 34 -18.694 5.154 6.202 1.00 0.68 C ATOM 501 CD PRO A 34 -18.361 5.999 5.004 1.00 0.47 C ATOM 0 HA PRO A 34 -15.759 5.368 6.647 1.00 0.44 H new ATOM 0 HB2 PRO A 34 -17.771 3.278 5.736 1.00 0.55 H new ATOM 0 HB3 PRO A 34 -17.465 3.841 7.367 1.00 0.55 H new ATOM 0 HG2 PRO A 34 -19.650 4.648 6.068 1.00 0.68 H new ATOM 0 HG3 PRO A 34 -18.780 5.767 7.099 1.00 0.68 H new ATOM 0 HD2 PRO A 34 -18.836 5.618 4.100 1.00 0.47 H new ATOM 0 HD3 PRO A 34 -18.698 7.028 5.132 1.00 0.47 H new ATOM 509 N CYS A 35 -15.646 3.722 3.856 1.00 0.38 N ATOM 510 CA CYS A 35 -14.814 2.832 3.056 1.00 0.39 C ATOM 511 C CYS A 35 -13.371 3.324 3.031 1.00 0.35 C ATOM 512 O CYS A 35 -12.430 2.534 3.113 1.00 0.39 O ATOM 513 CB CYS A 35 -15.353 2.741 1.624 1.00 0.45 C ATOM 514 SG CYS A 35 -17.052 2.090 1.499 1.00 0.65 S ATOM 0 H CYS A 35 -16.431 4.132 3.350 1.00 0.38 H new ATOM 0 HA CYS A 35 -14.841 1.842 3.511 1.00 0.39 H new ATOM 0 HB2 CYS A 35 -15.323 3.733 1.174 1.00 0.45 H new ATOM 0 HB3 CYS A 35 -14.689 2.105 1.039 1.00 0.45 H new ATOM 519 N LYS A 36 -13.207 4.636 2.923 1.00 0.33 N ATOM 520 CA LYS A 36 -11.882 5.245 2.893 1.00 0.38 C ATOM 521 C LYS A 36 -11.206 5.163 4.256 1.00 0.40 C ATOM 522 O LYS A 36 -9.978 5.173 4.352 1.00 0.50 O ATOM 523 CB LYS A 36 -11.977 6.706 2.461 1.00 0.41 C ATOM 524 CG LYS A 36 -11.923 6.906 0.956 1.00 0.47 C ATOM 525 CD LYS A 36 -12.844 8.030 0.514 1.00 0.72 C ATOM 526 CE LYS A 36 -12.124 9.368 0.510 1.00 1.48 C ATOM 527 NZ LYS A 36 -13.042 10.489 0.173 1.00 2.15 N ATOM 0 H LYS A 36 -13.977 5.301 2.854 1.00 0.33 H new ATOM 0 HA LYS A 36 -11.281 4.691 2.172 1.00 0.38 H new ATOM 0 HB2 LYS A 36 -12.908 7.128 2.841 1.00 0.41 H new ATOM 0 HB3 LYS A 36 -11.162 7.265 2.922 1.00 0.41 H new ATOM 0 HG2 LYS A 36 -10.900 7.131 0.654 1.00 0.47 H new ATOM 0 HG3 LYS A 36 -12.208 5.981 0.454 1.00 0.47 H new ATOM 0 HD2 LYS A 36 -13.226 7.818 -0.485 1.00 0.72 H new ATOM 0 HD3 LYS A 36 -13.705 8.080 1.181 1.00 0.72 H new ATOM 0 HE2 LYS A 36 -11.679 9.544 1.489 1.00 1.48 H new ATOM 0 HE3 LYS A 36 -11.307 9.339 -0.210 1.00 1.48 H new ATOM 0 HZ1 LYS A 36 -12.514 11.385 0.181 1.00 2.15 H new ATOM 0 HZ2 LYS A 36 -13.447 10.334 -0.772 1.00 2.15 H new ATOM 0 HZ3 LYS A 36 -13.808 10.533 0.875 1.00 2.15 H new ATOM 541 N MET A 37 -12.016 5.098 5.309 1.00 0.36 N ATOM 542 CA MET A 37 -11.496 5.035 6.667 1.00 0.42 C ATOM 543 C MET A 37 -10.806 3.703 6.934 1.00 0.39 C ATOM 544 O MET A 37 -9.980 3.602 7.840 1.00 0.43 O ATOM 545 CB MET A 37 -12.622 5.269 7.678 1.00 0.48 C ATOM 546 CG MET A 37 -13.256 6.647 7.560 1.00 0.61 C ATOM 547 SD MET A 37 -12.671 7.790 8.825 1.00 1.01 S ATOM 548 CE MET A 37 -14.216 8.510 9.368 1.00 1.48 C ATOM 0 H MET A 37 -13.034 5.088 5.246 1.00 0.36 H new ATOM 0 HA MET A 37 -10.752 5.824 6.780 1.00 0.42 H new ATOM 0 HB2 MET A 37 -13.391 4.509 7.538 1.00 0.48 H new ATOM 0 HB3 MET A 37 -12.228 5.142 8.686 1.00 0.48 H new ATOM 0 HG2 MET A 37 -13.039 7.059 6.575 1.00 0.61 H new ATOM 0 HG3 MET A 37 -14.339 6.552 7.634 1.00 0.61 H new ATOM 0 HE1 MET A 37 -14.021 9.241 10.153 1.00 1.48 H new ATOM 0 HE2 MET A 37 -14.703 9.003 8.527 1.00 1.48 H new ATOM 0 HE3 MET A 37 -14.866 7.726 9.756 1.00 1.48 H new ATOM 558 N ILE A 38 -11.125 2.686 6.135 1.00 0.36 N ATOM 559 CA ILE A 38 -10.505 1.374 6.299 1.00 0.37 C ATOM 560 C ILE A 38 -9.204 1.290 5.501 1.00 0.29 C ATOM 561 O ILE A 38 -8.362 0.431 5.758 1.00 0.27 O ATOM 562 CB ILE A 38 -11.449 0.239 5.844 1.00 0.45 C ATOM 563 CG1 ILE A 38 -12.835 0.400 6.496 1.00 0.61 C ATOM 564 CG2 ILE A 38 -10.833 -1.128 6.148 1.00 0.46 C ATOM 565 CD1 ILE A 38 -12.980 -0.265 7.851 1.00 0.28 C ATOM 0 H ILE A 38 -11.803 2.744 5.375 1.00 0.36 H new ATOM 0 HA ILE A 38 -10.294 1.250 7.361 1.00 0.37 H new ATOM 0 HB ILE A 38 -11.583 0.303 4.764 1.00 0.45 H new ATOM 0 HG12 ILE A 38 -13.049 1.463 6.604 1.00 0.61 H new ATOM 0 HG13 ILE A 38 -13.588 -0.010 5.823 1.00 0.61 H new ATOM 0 HG21 ILE A 38 -11.513 -1.914 5.820 1.00 0.46 H new ATOM 0 HG22 ILE A 38 -9.884 -1.225 5.620 1.00 0.46 H new ATOM 0 HG23 ILE A 38 -10.662 -1.220 7.221 1.00 0.46 H new ATOM 0 HD11 ILE A 38 -13.988 -0.099 8.232 1.00 0.28 H new ATOM 0 HD12 ILE A 38 -12.802 -1.336 7.752 1.00 0.28 H new ATOM 0 HD13 ILE A 38 -12.255 0.161 8.545 1.00 0.28 H new ATOM 577 N LYS A 39 -9.038 2.197 4.535 1.00 0.27 N ATOM 578 CA LYS A 39 -7.832 2.223 3.712 1.00 0.25 C ATOM 579 C LYS A 39 -6.580 2.258 4.588 1.00 0.23 C ATOM 580 O LYS A 39 -5.696 1.411 4.455 1.00 0.25 O ATOM 581 CB LYS A 39 -7.850 3.427 2.763 1.00 0.31 C ATOM 582 CG LYS A 39 -7.595 3.055 1.309 1.00 0.54 C ATOM 583 CD LYS A 39 -7.021 4.222 0.521 1.00 1.09 C ATOM 584 CE LYS A 39 -7.577 4.266 -0.894 1.00 1.45 C ATOM 585 NZ LYS A 39 -7.505 5.635 -1.479 1.00 2.12 N ATOM 0 H LYS A 39 -9.721 2.919 4.306 1.00 0.27 H new ATOM 0 HA LYS A 39 -7.811 1.311 3.115 1.00 0.25 H new ATOM 0 HB2 LYS A 39 -8.816 3.925 2.839 1.00 0.31 H new ATOM 0 HB3 LYS A 39 -7.095 4.145 3.084 1.00 0.31 H new ATOM 0 HG2 LYS A 39 -6.905 2.212 1.265 1.00 0.54 H new ATOM 0 HG3 LYS A 39 -8.527 2.729 0.848 1.00 0.54 H new ATOM 0 HD2 LYS A 39 -7.251 5.156 1.033 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -5.935 4.138 0.484 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -7.020 3.573 -1.524 1.00 1.45 H new ATOM 0 HE3 LYS A 39 -8.613 3.929 -0.887 1.00 1.45 H new ATOM 0 HZ1 LYS A 39 -7.894 5.621 -2.444 1.00 2.12 H new ATOM 0 HZ2 LYS A 39 -8.057 6.293 -0.892 1.00 2.12 H new ATOM 0 HZ3 LYS A 39 -6.514 5.948 -1.510 1.00 2.12 H new ATOM 599 N PRO A 40 -6.493 3.241 5.504 1.00 0.25 N ATOM 600 CA PRO A 40 -5.346 3.381 6.409 1.00 0.27 C ATOM 601 C PRO A 40 -4.974 2.071 7.098 1.00 0.23 C ATOM 602 O PRO A 40 -3.811 1.666 7.090 1.00 0.24 O ATOM 603 CB PRO A 40 -5.830 4.401 7.438 1.00 0.36 C ATOM 604 CG PRO A 40 -6.842 5.219 6.715 1.00 0.47 C ATOM 605 CD PRO A 40 -7.505 4.293 5.731 1.00 0.32 C ATOM 0 HA PRO A 40 -4.446 3.682 5.873 1.00 0.27 H new ATOM 0 HB2 PRO A 40 -6.267 3.909 8.307 1.00 0.36 H new ATOM 0 HB3 PRO A 40 -5.008 5.018 7.800 1.00 0.36 H new ATOM 0 HG2 PRO A 40 -7.572 5.637 7.408 1.00 0.47 H new ATOM 0 HG3 PRO A 40 -6.371 6.058 6.203 1.00 0.47 H new ATOM 0 HD2 PRO A 40 -8.430 3.879 6.132 1.00 0.32 H new ATOM 0 HD3 PRO A 40 -7.761 4.809 4.806 1.00 0.32 H new ATOM 613 N PHE A 41 -5.961 1.423 7.715 1.00 0.22 N ATOM 614 CA PHE A 41 -5.722 0.175 8.440 1.00 0.23 C ATOM 615 C PHE A 41 -5.528 -0.995 7.486 1.00 0.22 C ATOM 616 O PHE A 41 -4.716 -1.884 7.745 1.00 0.22 O ATOM 617 CB PHE A 41 -6.896 -0.136 9.373 1.00 0.27 C ATOM 618 CG PHE A 41 -7.404 1.051 10.140 1.00 0.31 C ATOM 619 CD1 PHE A 41 -6.548 1.810 10.919 1.00 0.49 C ATOM 620 CD2 PHE A 41 -8.742 1.403 10.083 1.00 0.28 C ATOM 621 CE1 PHE A 41 -7.018 2.899 11.628 1.00 0.56 C ATOM 622 CE2 PHE A 41 -9.218 2.490 10.788 1.00 0.34 C ATOM 623 CZ PHE A 41 -8.355 3.240 11.561 1.00 0.45 C ATOM 0 H PHE A 41 -6.931 1.740 7.728 1.00 0.22 H new ATOM 0 HA PHE A 41 -4.811 0.310 9.023 1.00 0.23 H new ATOM 0 HB2 PHE A 41 -7.714 -0.551 8.784 1.00 0.27 H new ATOM 0 HB3 PHE A 41 -6.589 -0.907 10.080 1.00 0.27 H new ATOM 0 HD1 PHE A 41 -5.502 1.548 10.973 1.00 0.49 H new ATOM 0 HD2 PHE A 41 -9.422 0.820 9.479 1.00 0.28 H new ATOM 0 HE1 PHE A 41 -6.341 3.483 12.234 1.00 0.56 H new ATOM 0 HE2 PHE A 41 -10.264 2.753 10.735 1.00 0.34 H new ATOM 0 HZ PHE A 41 -8.724 4.092 12.113 1.00 0.45 H new ATOM 633 N PHE A 42 -6.256 -0.998 6.378 1.00 0.26 N ATOM 634 CA PHE A 42 -6.122 -2.072 5.410 1.00 0.29 C ATOM 635 C PHE A 42 -4.720 -2.055 4.801 1.00 0.29 C ATOM 636 O PHE A 42 -4.070 -3.092 4.696 1.00 0.31 O ATOM 637 CB PHE A 42 -7.190 -1.948 4.317 1.00 0.35 C ATOM 638 CG PHE A 42 -7.567 -3.260 3.670 1.00 0.34 C ATOM 639 CD1 PHE A 42 -8.454 -4.133 4.286 1.00 0.35 C ATOM 640 CD2 PHE A 42 -7.034 -3.616 2.439 1.00 0.37 C ATOM 641 CE1 PHE A 42 -8.800 -5.333 3.687 1.00 0.35 C ATOM 642 CE2 PHE A 42 -7.375 -4.814 1.838 1.00 0.38 C ATOM 643 CZ PHE A 42 -8.259 -5.672 2.461 1.00 0.36 C ATOM 0 H PHE A 42 -6.936 -0.279 6.131 1.00 0.26 H new ATOM 0 HA PHE A 42 -6.269 -3.024 5.919 1.00 0.29 H new ATOM 0 HB2 PHE A 42 -8.084 -1.498 4.748 1.00 0.35 H new ATOM 0 HB3 PHE A 42 -6.829 -1.266 3.547 1.00 0.35 H new ATOM 0 HD1 PHE A 42 -8.879 -3.873 5.244 1.00 0.35 H new ATOM 0 HD2 PHE A 42 -6.344 -2.949 1.944 1.00 0.37 H new ATOM 0 HE1 PHE A 42 -9.491 -6.003 4.177 1.00 0.35 H new ATOM 0 HE2 PHE A 42 -6.950 -5.078 0.881 1.00 0.38 H new ATOM 0 HZ PHE A 42 -8.527 -6.607 1.991 1.00 0.36 H new ATOM 653 N HIS A 43 -4.253 -0.873 4.403 1.00 0.30 N ATOM 654 CA HIS A 43 -2.925 -0.745 3.810 1.00 0.35 C ATOM 655 C HIS A 43 -1.825 -1.038 4.829 1.00 0.30 C ATOM 656 O HIS A 43 -0.845 -1.706 4.506 1.00 0.31 O ATOM 657 CB HIS A 43 -2.724 0.644 3.200 1.00 0.42 C ATOM 658 CG HIS A 43 -2.028 0.600 1.876 1.00 0.42 C ATOM 659 ND1 HIS A 43 -2.511 1.190 0.728 1.00 0.95 N ATOM 660 CD2 HIS A 43 -0.867 -0.006 1.524 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.648 0.925 -0.263 1.00 0.98 C ATOM 662 NE2 HIS A 43 -0.633 0.204 0.169 1.00 0.55 N ATOM 0 H HIS A 43 -4.770 0.003 4.480 1.00 0.30 H new ATOM 0 HA HIS A 43 -2.856 -1.486 3.014 1.00 0.35 H new ATOM 0 HB2 HIS A 43 -3.694 1.127 3.080 1.00 0.42 H new ATOM 0 HB3 HIS A 43 -2.145 1.258 3.890 1.00 0.42 H new ATOM 0 HD2 HIS A 43 -0.225 -0.564 2.190 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.769 1.259 -1.283 1.00 0.98 H new ATOM 0 HE2 HIS A 43 0.160 -0.131 -0.377 1.00 0.55 H new ATOM 670 N SER A 44 -1.974 -0.539 6.055 1.00 0.25 N ATOM 671 CA SER A 44 -0.965 -0.770 7.088 1.00 0.23 C ATOM 672 C SER A 44 -0.801 -2.259 7.358 1.00 0.20 C ATOM 673 O SER A 44 0.318 -2.768 7.415 1.00 0.20 O ATOM 674 CB SER A 44 -1.345 -0.054 8.385 1.00 0.23 C ATOM 675 OG SER A 44 -0.821 1.262 8.415 1.00 1.19 O ATOM 0 H SER A 44 -2.772 0.021 6.355 1.00 0.25 H new ATOM 0 HA SER A 44 -0.019 -0.369 6.725 1.00 0.23 H new ATOM 0 HB2 SER A 44 -2.430 -0.019 8.480 1.00 0.23 H new ATOM 0 HB3 SER A 44 -0.969 -0.618 9.239 1.00 0.23 H new ATOM 0 HG SER A 44 -1.080 1.698 9.254 1.00 1.19 H new ATOM 681 N LEU A 45 -1.922 -2.958 7.514 1.00 0.19 N ATOM 682 CA LEU A 45 -1.887 -4.394 7.770 1.00 0.21 C ATOM 683 C LEU A 45 -1.066 -5.079 6.688 1.00 0.24 C ATOM 684 O LEU A 45 -0.328 -6.029 6.950 1.00 0.26 O ATOM 685 CB LEU A 45 -3.307 -4.965 7.779 1.00 0.24 C ATOM 686 CG LEU A 45 -4.164 -4.575 8.984 1.00 0.23 C ATOM 687 CD1 LEU A 45 -5.645 -4.708 8.656 1.00 0.23 C ATOM 688 CD2 LEU A 45 -3.805 -5.433 10.187 1.00 0.32 C ATOM 0 H LEU A 45 -2.859 -2.557 7.468 1.00 0.19 H new ATOM 0 HA LEU A 45 -1.431 -4.572 8.744 1.00 0.21 H new ATOM 0 HB2 LEU A 45 -3.817 -4.640 6.872 1.00 0.24 H new ATOM 0 HB3 LEU A 45 -3.243 -6.052 7.737 1.00 0.24 H new ATOM 0 HG LEU A 45 -3.961 -3.532 9.228 1.00 0.23 H new ATOM 0 HD11 LEU A 45 -6.237 -4.426 9.527 1.00 0.23 H new ATOM 0 HD12 LEU A 45 -5.893 -4.053 7.821 1.00 0.23 H new ATOM 0 HD13 LEU A 45 -5.866 -5.740 8.386 1.00 0.23 H new ATOM 0 HD21 LEU A 45 -4.423 -5.144 11.037 1.00 0.32 H new ATOM 0 HD22 LEU A 45 -3.980 -6.483 9.951 1.00 0.32 H new ATOM 0 HD23 LEU A 45 -2.754 -5.288 10.437 1.00 0.32 H new ATOM 700 N SER A 46 -1.190 -4.565 5.472 1.00 0.26 N ATOM 701 CA SER A 46 -0.456 -5.096 4.337 1.00 0.29 C ATOM 702 C SER A 46 1.051 -5.053 4.587 1.00 0.29 C ATOM 703 O SER A 46 1.798 -5.855 4.026 1.00 0.32 O ATOM 704 CB SER A 46 -0.797 -4.317 3.067 1.00 0.33 C ATOM 705 OG SER A 46 -0.204 -4.915 1.928 1.00 1.30 O ATOM 0 H SER A 46 -1.796 -3.776 5.248 1.00 0.26 H new ATOM 0 HA SER A 46 -0.753 -6.137 4.205 1.00 0.29 H new ATOM 0 HB2 SER A 46 -1.879 -4.278 2.940 1.00 0.33 H new ATOM 0 HB3 SER A 46 -0.450 -3.288 3.164 1.00 0.33 H new ATOM 0 HG SER A 46 0.399 -4.273 1.498 1.00 1.30 H new ATOM 711 N GLU A 47 1.500 -4.125 5.434 1.00 0.28 N ATOM 712 CA GLU A 47 2.923 -4.006 5.745 1.00 0.29 C ATOM 713 C GLU A 47 3.299 -4.885 6.933 1.00 0.28 C ATOM 714 O GLU A 47 4.475 -5.183 7.148 1.00 0.32 O ATOM 715 CB GLU A 47 3.296 -2.548 6.036 1.00 0.30 C ATOM 716 CG GLU A 47 4.665 -2.153 5.504 1.00 1.09 C ATOM 717 CD GLU A 47 4.712 -0.718 5.014 1.00 1.58 C ATOM 718 OE1 GLU A 47 3.855 -0.345 4.187 1.00 2.30 O ATOM 719 OE2 GLU A 47 5.606 0.033 5.460 1.00 2.07 O ATOM 0 H GLU A 47 0.903 -3.450 5.913 1.00 0.28 H new ATOM 0 HA GLU A 47 3.481 -4.345 4.872 1.00 0.29 H new ATOM 0 HB2 GLU A 47 2.542 -1.894 5.597 1.00 0.30 H new ATOM 0 HB3 GLU A 47 3.273 -2.384 7.113 1.00 0.30 H new ATOM 0 HG2 GLU A 47 5.408 -2.289 6.290 1.00 1.09 H new ATOM 0 HG3 GLU A 47 4.939 -2.821 4.687 1.00 1.09 H new ATOM 726 N LYS A 48 2.298 -5.303 7.699 1.00 0.25 N ATOM 727 CA LYS A 48 2.530 -6.153 8.859 1.00 0.27 C ATOM 728 C LYS A 48 2.300 -7.617 8.502 1.00 0.31 C ATOM 729 O LYS A 48 2.690 -8.520 9.241 1.00 0.44 O ATOM 730 CB LYS A 48 1.608 -5.740 10.008 1.00 0.26 C ATOM 731 CG LYS A 48 2.172 -6.061 11.378 1.00 0.31 C ATOM 732 CD LYS A 48 1.095 -6.024 12.449 1.00 0.50 C ATOM 733 CE LYS A 48 0.578 -7.418 12.762 1.00 1.10 C ATOM 734 NZ LYS A 48 1.197 -7.975 13.995 1.00 1.48 N ATOM 0 H LYS A 48 1.319 -5.067 7.537 1.00 0.25 H new ATOM 0 HA LYS A 48 3.566 -6.032 9.176 1.00 0.27 H new ATOM 0 HB2 LYS A 48 1.417 -4.669 9.944 1.00 0.26 H new ATOM 0 HB3 LYS A 48 0.648 -6.242 9.892 1.00 0.26 H new ATOM 0 HG2 LYS A 48 2.634 -7.048 11.360 1.00 0.31 H new ATOM 0 HG3 LYS A 48 2.957 -5.346 11.626 1.00 0.31 H new ATOM 0 HD2 LYS A 48 1.496 -5.571 13.355 1.00 0.50 H new ATOM 0 HD3 LYS A 48 0.270 -5.394 12.116 1.00 0.50 H new ATOM 0 HE2 LYS A 48 -0.505 -7.385 12.882 1.00 1.10 H new ATOM 0 HE3 LYS A 48 0.785 -8.080 11.921 1.00 1.10 H new ATOM 0 HZ1 LYS A 48 0.818 -8.927 14.174 1.00 1.48 H new ATOM 0 HZ2 LYS A 48 2.228 -8.030 13.871 1.00 1.48 H new ATOM 0 HZ3 LYS A 48 0.978 -7.358 14.803 1.00 1.48 H new ATOM 748 N TYR A 49 1.652 -7.839 7.367 1.00 0.28 N ATOM 749 CA TYR A 49 1.356 -9.186 6.907 1.00 0.33 C ATOM 750 C TYR A 49 2.258 -9.586 5.746 1.00 0.46 C ATOM 751 O TYR A 49 1.886 -9.462 4.580 1.00 0.98 O ATOM 752 CB TYR A 49 -0.108 -9.279 6.507 1.00 0.29 C ATOM 753 CG TYR A 49 -1.012 -9.553 7.688 1.00 0.26 C ATOM 754 CD1 TYR A 49 -1.355 -8.535 8.572 1.00 0.26 C ATOM 755 CD2 TYR A 49 -1.506 -10.830 7.933 1.00 0.31 C ATOM 756 CE1 TYR A 49 -2.167 -8.781 9.664 1.00 0.27 C ATOM 757 CE2 TYR A 49 -2.316 -11.082 9.025 1.00 0.35 C ATOM 758 CZ TYR A 49 -2.644 -10.056 9.886 1.00 0.32 C ATOM 759 OH TYR A 49 -3.449 -10.304 10.975 1.00 0.39 O ATOM 0 H TYR A 49 1.321 -7.100 6.747 1.00 0.28 H new ATOM 0 HA TYR A 49 1.549 -9.881 7.724 1.00 0.33 H new ATOM 0 HB2 TYR A 49 -0.411 -8.347 6.029 1.00 0.29 H new ATOM 0 HB3 TYR A 49 -0.230 -10.071 5.768 1.00 0.29 H new ATOM 0 HD1 TYR A 49 -0.981 -7.536 8.403 1.00 0.26 H new ATOM 0 HD2 TYR A 49 -1.253 -11.636 7.261 1.00 0.31 H new ATOM 0 HE1 TYR A 49 -2.426 -7.979 10.339 1.00 0.27 H new ATOM 0 HE2 TYR A 49 -2.691 -12.079 9.203 1.00 0.35 H new ATOM 0 HH TYR A 49 -3.701 -11.251 10.987 1.00 0.39 H new ATOM 769 N SER A 50 3.449 -10.073 6.086 1.00 0.34 N ATOM 770 CA SER A 50 4.430 -10.503 5.095 1.00 0.38 C ATOM 771 C SER A 50 4.095 -11.887 4.537 1.00 0.47 C ATOM 772 O SER A 50 4.981 -12.724 4.361 1.00 0.95 O ATOM 773 CB SER A 50 5.825 -10.527 5.728 1.00 0.46 C ATOM 774 OG SER A 50 6.833 -10.285 4.762 1.00 1.25 O ATOM 0 H SER A 50 3.759 -10.180 7.052 1.00 0.34 H new ATOM 0 HA SER A 50 4.408 -9.792 4.269 1.00 0.38 H new ATOM 0 HB2 SER A 50 5.883 -9.774 6.514 1.00 0.46 H new ATOM 0 HB3 SER A 50 5.996 -11.494 6.200 1.00 0.46 H new ATOM 0 HG SER A 50 7.712 -10.305 5.195 1.00 1.25 H new ATOM 780 N ASN A 51 2.819 -12.118 4.239 1.00 0.36 N ATOM 781 CA ASN A 51 2.387 -13.391 3.677 1.00 0.33 C ATOM 782 C ASN A 51 1.101 -13.233 2.865 1.00 0.32 C ATOM 783 O ASN A 51 0.859 -13.986 1.923 1.00 0.69 O ATOM 784 CB ASN A 51 2.196 -14.443 4.773 1.00 0.34 C ATOM 785 CG ASN A 51 2.524 -15.836 4.278 1.00 0.47 C ATOM 786 OD1 ASN A 51 3.319 -16.008 3.352 1.00 1.03 O ATOM 787 ND2 ASN A 51 1.913 -16.844 4.890 1.00 0.73 N ATOM 0 H ASN A 51 2.069 -11.441 4.378 1.00 0.36 H new ATOM 0 HA ASN A 51 3.175 -13.732 3.005 1.00 0.33 H new ATOM 0 HB2 ASN A 51 2.832 -14.201 5.624 1.00 0.34 H new ATOM 0 HB3 ASN A 51 1.165 -14.416 5.127 1.00 0.34 H new ATOM 0 HD21 ASN A 51 2.095 -17.804 4.597 1.00 0.73 H new ATOM 0 HD22 ASN A 51 1.262 -16.658 5.653 1.00 0.73 H new ATOM 794 N VAL A 52 0.272 -12.259 3.237 1.00 0.25 N ATOM 795 CA VAL A 52 -0.987 -12.030 2.535 1.00 0.19 C ATOM 796 C VAL A 52 -0.875 -10.890 1.540 1.00 0.18 C ATOM 797 O VAL A 52 -0.015 -10.019 1.659 1.00 0.19 O ATOM 798 CB VAL A 52 -2.139 -11.734 3.514 1.00 0.22 C ATOM 799 CG1 VAL A 52 -2.172 -12.770 4.616 1.00 0.21 C ATOM 800 CG2 VAL A 52 -2.019 -10.337 4.093 1.00 0.29 C ATOM 0 H VAL A 52 0.448 -11.622 4.014 1.00 0.25 H new ATOM 0 HA VAL A 52 -1.208 -12.951 1.996 1.00 0.19 H new ATOM 0 HB VAL A 52 -3.077 -11.785 2.961 1.00 0.22 H new ATOM 0 HG11 VAL A 52 -2.991 -12.548 5.300 1.00 0.21 H new ATOM 0 HG12 VAL A 52 -2.320 -13.759 4.182 1.00 0.21 H new ATOM 0 HG13 VAL A 52 -1.229 -12.751 5.162 1.00 0.21 H new ATOM 0 HG21 VAL A 52 -2.845 -10.156 4.780 1.00 0.29 H new ATOM 0 HG22 VAL A 52 -1.074 -10.245 4.629 1.00 0.29 H new ATOM 0 HG23 VAL A 52 -2.051 -9.605 3.286 1.00 0.29 H new ATOM 810 N ILE A 53 -1.743 -10.927 0.544 1.00 0.18 N ATOM 811 CA ILE A 53 -1.762 -9.931 -0.511 1.00 0.18 C ATOM 812 C ILE A 53 -2.927 -8.953 -0.321 1.00 0.18 C ATOM 813 O ILE A 53 -4.096 -9.326 -0.422 1.00 0.17 O ATOM 814 CB ILE A 53 -1.832 -10.658 -1.885 1.00 0.19 C ATOM 815 CG1 ILE A 53 -0.901 -10.000 -2.903 1.00 0.20 C ATOM 816 CG2 ILE A 53 -3.255 -10.738 -2.419 1.00 0.21 C ATOM 817 CD1 ILE A 53 0.544 -10.428 -2.752 1.00 0.29 C ATOM 0 H ILE A 53 -2.455 -11.650 0.445 1.00 0.18 H new ATOM 0 HA ILE A 53 -0.849 -9.337 -0.474 1.00 0.18 H new ATOM 0 HB ILE A 53 -1.492 -11.681 -1.723 1.00 0.19 H new ATOM 0 HG12 ILE A 53 -1.242 -10.244 -3.909 1.00 0.20 H new ATOM 0 HG13 ILE A 53 -0.966 -8.917 -2.798 1.00 0.20 H new ATOM 0 HG21 ILE A 53 -3.255 -11.253 -3.379 1.00 0.21 H new ATOM 0 HG22 ILE A 53 -3.878 -11.287 -1.713 1.00 0.21 H new ATOM 0 HG23 ILE A 53 -3.653 -9.731 -2.548 1.00 0.21 H new ATOM 0 HD11 ILE A 53 1.153 -9.926 -3.504 1.00 0.29 H new ATOM 0 HD12 ILE A 53 0.901 -10.160 -1.758 1.00 0.29 H new ATOM 0 HD13 ILE A 53 0.620 -11.507 -2.886 1.00 0.29 H new ATOM 829 N PHE A 54 -2.594 -7.695 -0.036 1.00 0.19 N ATOM 830 CA PHE A 54 -3.611 -6.668 0.173 1.00 0.20 C ATOM 831 C PHE A 54 -3.792 -5.834 -1.064 1.00 0.19 C ATOM 832 O PHE A 54 -2.888 -5.119 -1.478 1.00 0.21 O ATOM 833 CB PHE A 54 -3.235 -5.708 1.298 1.00 0.19 C ATOM 834 CG PHE A 54 -3.691 -6.129 2.665 1.00 0.21 C ATOM 835 CD1 PHE A 54 -3.307 -7.337 3.214 1.00 0.29 C ATOM 836 CD2 PHE A 54 -4.524 -5.301 3.397 1.00 0.22 C ATOM 837 CE1 PHE A 54 -3.746 -7.710 4.474 1.00 0.32 C ATOM 838 CE2 PHE A 54 -4.965 -5.666 4.652 1.00 0.25 C ATOM 839 CZ PHE A 54 -4.577 -6.875 5.191 1.00 0.28 C ATOM 0 H PHE A 54 -1.633 -7.365 0.055 1.00 0.19 H new ATOM 0 HA PHE A 54 -4.526 -7.203 0.428 1.00 0.20 H new ATOM 0 HB2 PHE A 54 -2.151 -5.593 1.311 1.00 0.19 H new ATOM 0 HB3 PHE A 54 -3.657 -4.728 1.076 1.00 0.19 H new ATOM 0 HD1 PHE A 54 -2.659 -7.997 2.656 1.00 0.29 H new ATOM 0 HD2 PHE A 54 -4.834 -4.354 2.979 1.00 0.22 H new ATOM 0 HE1 PHE A 54 -3.437 -8.655 4.895 1.00 0.32 H new ATOM 0 HE2 PHE A 54 -5.612 -5.007 5.211 1.00 0.25 H new ATOM 0 HZ PHE A 54 -4.923 -7.167 6.172 1.00 0.28 H new ATOM 849 N LEU A 55 -4.967 -5.897 -1.632 1.00 0.18 N ATOM 850 CA LEU A 55 -5.254 -5.117 -2.796 1.00 0.18 C ATOM 851 C LEU A 55 -6.571 -4.376 -2.623 1.00 0.17 C ATOM 852 O LEU A 55 -7.326 -4.648 -1.689 1.00 0.17 O ATOM 853 CB LEU A 55 -5.278 -6.012 -4.020 1.00 0.19 C ATOM 854 CG LEU A 55 -6.597 -6.666 -4.307 1.00 0.19 C ATOM 855 CD1 LEU A 55 -7.468 -5.692 -5.057 1.00 0.24 C ATOM 856 CD2 LEU A 55 -6.393 -7.964 -5.081 1.00 0.19 C ATOM 0 H LEU A 55 -5.737 -6.481 -1.305 1.00 0.18 H new ATOM 0 HA LEU A 55 -4.471 -4.372 -2.934 1.00 0.18 H new ATOM 0 HB2 LEU A 55 -4.987 -5.421 -4.888 1.00 0.19 H new ATOM 0 HB3 LEU A 55 -4.524 -6.790 -3.897 1.00 0.19 H new ATOM 0 HG LEU A 55 -7.095 -6.931 -3.375 1.00 0.19 H new ATOM 0 HD11 LEU A 55 -8.431 -6.156 -5.272 1.00 0.24 H new ATOM 0 HD12 LEU A 55 -7.622 -4.800 -4.450 1.00 0.24 H new ATOM 0 HD13 LEU A 55 -6.982 -5.415 -5.992 1.00 0.24 H new ATOM 0 HD21 LEU A 55 -7.361 -8.425 -5.280 1.00 0.19 H new ATOM 0 HD22 LEU A 55 -5.892 -7.750 -6.025 1.00 0.19 H new ATOM 0 HD23 LEU A 55 -5.781 -8.647 -4.492 1.00 0.19 H new ATOM 868 N GLU A 56 -6.840 -3.432 -3.509 1.00 0.17 N ATOM 869 CA GLU A 56 -8.062 -2.649 -3.422 1.00 0.18 C ATOM 870 C GLU A 56 -8.904 -2.772 -4.671 1.00 0.16 C ATOM 871 O GLU A 56 -8.437 -2.503 -5.776 1.00 0.16 O ATOM 872 CB GLU A 56 -7.714 -1.190 -3.225 1.00 0.22 C ATOM 873 CG GLU A 56 -8.797 -0.391 -2.514 1.00 0.25 C ATOM 874 CD GLU A 56 -8.239 0.735 -1.664 1.00 1.19 C ATOM 875 OE1 GLU A 56 -7.097 0.606 -1.180 1.00 2.16 O ATOM 876 OE2 GLU A 56 -8.950 1.747 -1.481 1.00 1.76 O ATOM 0 H GLU A 56 -6.233 -3.190 -4.292 1.00 0.17 H new ATOM 0 HA GLU A 56 -8.635 -3.033 -2.578 1.00 0.18 H new ATOM 0 HB2 GLU A 56 -6.789 -1.121 -2.652 1.00 0.22 H new ATOM 0 HB3 GLU A 56 -7.521 -0.738 -4.198 1.00 0.22 H new ATOM 0 HG2 GLU A 56 -9.480 0.024 -3.255 1.00 0.25 H new ATOM 0 HG3 GLU A 56 -9.380 -1.061 -1.883 1.00 0.25 H new ATOM 883 N VAL A 57 -10.152 -3.163 -4.491 1.00 0.16 N ATOM 884 CA VAL A 57 -11.054 -3.299 -5.614 1.00 0.15 C ATOM 885 C VAL A 57 -12.146 -2.259 -5.558 1.00 0.15 C ATOM 886 O VAL A 57 -12.958 -2.228 -4.636 1.00 0.17 O ATOM 887 CB VAL A 57 -11.707 -4.682 -5.680 1.00 0.15 C ATOM 888 CG1 VAL A 57 -12.351 -4.845 -7.034 1.00 0.16 C ATOM 889 CG2 VAL A 57 -10.696 -5.791 -5.420 1.00 0.16 C ATOM 0 H VAL A 57 -10.560 -3.390 -3.584 1.00 0.16 H new ATOM 0 HA VAL A 57 -10.444 -3.160 -6.506 1.00 0.15 H new ATOM 0 HB VAL A 57 -12.464 -4.759 -4.900 1.00 0.15 H new ATOM 0 HG11 VAL A 57 -12.821 -5.826 -7.097 1.00 0.16 H new ATOM 0 HG12 VAL A 57 -13.106 -4.071 -7.173 1.00 0.16 H new ATOM 0 HG13 VAL A 57 -11.592 -4.756 -7.811 1.00 0.16 H new ATOM 0 HG21 VAL A 57 -11.195 -6.758 -5.475 1.00 0.16 H new ATOM 0 HG22 VAL A 57 -9.907 -5.747 -6.170 1.00 0.16 H new ATOM 0 HG23 VAL A 57 -10.262 -5.662 -4.429 1.00 0.16 H new ATOM 899 N ASP A 58 -12.149 -1.394 -6.551 1.00 0.15 N ATOM 900 CA ASP A 58 -13.125 -0.332 -6.626 1.00 0.17 C ATOM 901 C ASP A 58 -14.318 -0.765 -7.476 1.00 0.17 C ATOM 902 O ASP A 58 -14.174 -1.041 -8.665 1.00 0.16 O ATOM 903 CB ASP A 58 -12.471 0.913 -7.214 1.00 0.19 C ATOM 904 CG ASP A 58 -11.916 0.677 -8.606 1.00 1.24 C ATOM 905 OD1 ASP A 58 -11.762 -0.501 -8.993 1.00 2.12 O ATOM 906 OD2 ASP A 58 -11.636 1.671 -9.307 1.00 1.94 O ATOM 0 H ASP A 58 -11.481 -1.408 -7.321 1.00 0.15 H new ATOM 0 HA ASP A 58 -13.489 -0.105 -5.624 1.00 0.17 H new ATOM 0 HB2 ASP A 58 -13.202 1.721 -7.250 1.00 0.19 H new ATOM 0 HB3 ASP A 58 -11.666 1.241 -6.557 1.00 0.19 H new ATOM 911 N VAL A 59 -15.485 -0.864 -6.843 1.00 0.17 N ATOM 912 CA VAL A 59 -16.703 -1.303 -7.525 1.00 0.18 C ATOM 913 C VAL A 59 -17.089 -0.370 -8.664 1.00 0.19 C ATOM 914 O VAL A 59 -17.802 -0.765 -9.587 1.00 0.20 O ATOM 915 CB VAL A 59 -17.890 -1.410 -6.550 1.00 0.20 C ATOM 916 CG1 VAL A 59 -18.287 -0.036 -6.033 1.00 0.22 C ATOM 917 CG2 VAL A 59 -19.074 -2.096 -7.216 1.00 0.21 C ATOM 0 H VAL A 59 -15.614 -0.645 -5.855 1.00 0.17 H new ATOM 0 HA VAL A 59 -16.479 -2.288 -7.935 1.00 0.18 H new ATOM 0 HB VAL A 59 -17.578 -2.017 -5.700 1.00 0.20 H new ATOM 0 HG11 VAL A 59 -19.127 -0.135 -5.346 1.00 0.22 H new ATOM 0 HG12 VAL A 59 -17.443 0.414 -5.511 1.00 0.22 H new ATOM 0 HG13 VAL A 59 -18.576 0.598 -6.871 1.00 0.22 H new ATOM 0 HG21 VAL A 59 -19.901 -2.161 -6.509 1.00 0.21 H new ATOM 0 HG22 VAL A 59 -19.385 -1.520 -8.087 1.00 0.21 H new ATOM 0 HG23 VAL A 59 -18.784 -3.099 -7.529 1.00 0.21 H new ATOM 927 N ASP A 60 -16.613 0.867 -8.603 1.00 0.20 N ATOM 928 CA ASP A 60 -16.908 1.831 -9.649 1.00 0.23 C ATOM 929 C ASP A 60 -16.328 1.331 -10.965 1.00 0.24 C ATOM 930 O ASP A 60 -16.921 1.498 -12.031 1.00 0.27 O ATOM 931 CB ASP A 60 -16.324 3.206 -9.298 1.00 0.24 C ATOM 932 CG ASP A 60 -17.122 4.349 -9.897 1.00 0.44 C ATOM 933 OD1 ASP A 60 -17.639 4.187 -11.022 1.00 1.09 O ATOM 934 OD2 ASP A 60 -17.232 5.406 -9.240 1.00 1.30 O ATOM 0 H ASP A 60 -16.027 1.222 -7.847 1.00 0.20 H new ATOM 0 HA ASP A 60 -17.989 1.938 -9.744 1.00 0.23 H new ATOM 0 HB2 ASP A 60 -16.294 3.318 -8.214 1.00 0.24 H new ATOM 0 HB3 ASP A 60 -15.295 3.261 -9.653 1.00 0.24 H new ATOM 939 N ASP A 61 -15.150 0.724 -10.868 1.00 0.23 N ATOM 940 CA ASP A 61 -14.453 0.196 -12.037 1.00 0.26 C ATOM 941 C ASP A 61 -14.614 -1.318 -12.174 1.00 0.23 C ATOM 942 O ASP A 61 -14.829 -1.826 -13.275 1.00 0.24 O ATOM 943 CB ASP A 61 -12.978 0.575 -11.963 1.00 0.29 C ATOM 944 CG ASP A 61 -12.781 2.074 -12.076 1.00 0.49 C ATOM 945 OD1 ASP A 61 -13.600 2.822 -11.502 1.00 1.11 O ATOM 946 OD2 ASP A 61 -11.817 2.502 -12.742 1.00 1.31 O ATOM 0 H ASP A 61 -14.655 0.585 -9.987 1.00 0.23 H new ATOM 0 HA ASP A 61 -14.903 0.640 -12.925 1.00 0.26 H new ATOM 0 HB2 ASP A 61 -12.558 0.222 -11.021 1.00 0.29 H new ATOM 0 HB3 ASP A 61 -12.432 0.074 -12.763 1.00 0.29 H new ATOM 951 N ALA A 62 -14.510 -2.039 -11.065 1.00 0.22 N ATOM 952 CA ALA A 62 -14.654 -3.488 -11.097 1.00 0.21 C ATOM 953 C ALA A 62 -16.119 -3.880 -10.944 1.00 0.26 C ATOM 954 O ALA A 62 -16.479 -4.667 -10.069 1.00 0.25 O ATOM 955 CB ALA A 62 -13.802 -4.136 -10.015 1.00 0.21 C ATOM 0 H ALA A 62 -14.328 -1.648 -10.140 1.00 0.22 H new ATOM 0 HA ALA A 62 -14.303 -3.850 -12.063 1.00 0.21 H new ATOM 0 HB1 ALA A 62 -13.924 -5.218 -10.056 1.00 0.21 H new ATOM 0 HB2 ALA A 62 -12.754 -3.882 -10.176 1.00 0.21 H new ATOM 0 HB3 ALA A 62 -14.117 -3.772 -9.037 1.00 0.21 H new ATOM 961 N GLN A 63 -16.960 -3.310 -11.801 1.00 0.34 N ATOM 962 CA GLN A 63 -18.391 -3.581 -11.775 1.00 0.42 C ATOM 963 C GLN A 63 -18.705 -4.956 -12.351 1.00 0.40 C ATOM 964 O GLN A 63 -19.824 -5.441 -12.226 1.00 0.47 O ATOM 965 CB GLN A 63 -19.139 -2.516 -12.574 1.00 0.52 C ATOM 966 CG GLN A 63 -19.544 -1.305 -11.757 1.00 1.27 C ATOM 967 CD GLN A 63 -20.868 -0.737 -12.216 1.00 1.88 C ATOM 968 OE1 GLN A 63 -20.934 -0.010 -13.206 1.00 2.51 O ATOM 969 NE2 GLN A 63 -21.934 -1.070 -11.499 1.00 2.58 N ATOM 0 H GLN A 63 -16.671 -2.653 -12.526 1.00 0.34 H new ATOM 0 HA GLN A 63 -18.715 -3.559 -10.735 1.00 0.42 H new ATOM 0 HB2 GLN A 63 -18.510 -2.189 -13.402 1.00 0.52 H new ATOM 0 HB3 GLN A 63 -20.033 -2.963 -13.009 1.00 0.52 H new ATOM 0 HG2 GLN A 63 -19.612 -1.582 -10.705 1.00 1.27 H new ATOM 0 HG3 GLN A 63 -18.773 -0.539 -11.835 1.00 1.27 H new ATOM 0 HE21 GLN A 63 -21.832 -1.676 -10.685 1.00 2.58 H new ATOM 0 HE22 GLN A 63 -22.855 -0.720 -11.762 1.00 2.58 H new ATOM 978 N ASP A 64 -17.718 -5.578 -12.987 1.00 0.32 N ATOM 979 CA ASP A 64 -17.908 -6.896 -13.581 1.00 0.31 C ATOM 980 C ASP A 64 -17.644 -7.992 -12.555 1.00 0.24 C ATOM 981 O ASP A 64 -18.247 -9.064 -12.606 1.00 0.23 O ATOM 982 CB ASP A 64 -16.962 -7.080 -14.768 1.00 0.35 C ATOM 983 CG ASP A 64 -17.586 -6.668 -16.086 1.00 0.59 C ATOM 984 OD1 ASP A 64 -17.945 -5.480 -16.228 1.00 1.25 O ATOM 985 OD2 ASP A 64 -17.710 -7.532 -16.979 1.00 1.37 O ATOM 0 H ASP A 64 -16.781 -5.192 -13.104 1.00 0.32 H new ATOM 0 HA ASP A 64 -18.941 -6.968 -13.922 1.00 0.31 H new ATOM 0 HB2 ASP A 64 -16.058 -6.494 -14.600 1.00 0.35 H new ATOM 0 HB3 ASP A 64 -16.658 -8.125 -14.826 1.00 0.35 H new ATOM 990 N VAL A 65 -16.739 -7.710 -11.624 1.00 0.21 N ATOM 991 CA VAL A 65 -16.384 -8.667 -10.585 1.00 0.16 C ATOM 992 C VAL A 65 -17.460 -8.729 -9.502 1.00 0.17 C ATOM 993 O VAL A 65 -17.851 -9.812 -9.073 1.00 0.17 O ATOM 994 CB VAL A 65 -15.017 -8.335 -9.944 1.00 0.15 C ATOM 995 CG1 VAL A 65 -13.902 -8.556 -10.945 1.00 0.15 C ATOM 996 CG2 VAL A 65 -14.973 -6.906 -9.431 1.00 0.17 C ATOM 0 H VAL A 65 -16.237 -6.824 -11.569 1.00 0.21 H new ATOM 0 HA VAL A 65 -16.309 -9.642 -11.066 1.00 0.16 H new ATOM 0 HB VAL A 65 -14.880 -9.003 -9.094 1.00 0.15 H new ATOM 0 HG11 VAL A 65 -12.944 -8.319 -10.481 1.00 0.15 H new ATOM 0 HG12 VAL A 65 -13.902 -9.598 -11.265 1.00 0.15 H new ATOM 0 HG13 VAL A 65 -14.056 -7.911 -11.810 1.00 0.15 H new ATOM 0 HG21 VAL A 65 -13.997 -6.709 -8.987 1.00 0.17 H new ATOM 0 HG22 VAL A 65 -15.141 -6.217 -10.259 1.00 0.17 H new ATOM 0 HG23 VAL A 65 -15.749 -6.766 -8.678 1.00 0.17 H new ATOM 1006 N ALA A 66 -17.906 -7.566 -9.037 1.00 0.20 N ATOM 1007 CA ALA A 66 -18.907 -7.480 -7.975 1.00 0.24 C ATOM 1008 C ALA A 66 -20.135 -8.360 -8.231 1.00 0.27 C ATOM 1009 O ALA A 66 -20.512 -9.174 -7.386 1.00 0.28 O ATOM 1010 CB ALA A 66 -19.342 -6.029 -7.831 1.00 0.29 C ATOM 0 H ALA A 66 -17.587 -6.661 -9.382 1.00 0.20 H new ATOM 0 HA ALA A 66 -18.445 -7.848 -7.059 1.00 0.24 H new ATOM 0 HB1 ALA A 66 -20.089 -5.950 -7.042 1.00 0.29 H new ATOM 0 HB2 ALA A 66 -18.479 -5.414 -7.577 1.00 0.29 H new ATOM 0 HB3 ALA A 66 -19.770 -5.682 -8.772 1.00 0.29 H new ATOM 1016 N PRO A 67 -20.793 -8.186 -9.384 1.00 0.29 N ATOM 1017 CA PRO A 67 -22.001 -8.942 -9.742 1.00 0.31 C ATOM 1018 C PRO A 67 -21.821 -10.457 -9.705 1.00 0.28 C ATOM 1019 O PRO A 67 -22.780 -11.195 -9.475 1.00 0.31 O ATOM 1020 CB PRO A 67 -22.294 -8.495 -11.173 1.00 0.33 C ATOM 1021 CG PRO A 67 -21.636 -7.169 -11.305 1.00 0.49 C ATOM 1022 CD PRO A 67 -20.426 -7.213 -10.424 1.00 0.30 C ATOM 0 HA PRO A 67 -22.800 -8.744 -9.028 1.00 0.31 H new ATOM 0 HB2 PRO A 67 -21.897 -9.206 -11.898 1.00 0.33 H new ATOM 0 HB3 PRO A 67 -23.367 -8.423 -11.352 1.00 0.33 H new ATOM 0 HG2 PRO A 67 -21.357 -6.975 -12.340 1.00 0.49 H new ATOM 0 HG3 PRO A 67 -22.310 -6.368 -11.001 1.00 0.49 H new ATOM 0 HD2 PRO A 67 -19.540 -7.529 -10.975 1.00 0.30 H new ATOM 0 HD3 PRO A 67 -20.204 -6.235 -9.998 1.00 0.30 H new ATOM 1030 N LYS A 68 -20.599 -10.923 -9.940 1.00 0.24 N ATOM 1031 CA LYS A 68 -20.330 -12.355 -9.939 1.00 0.23 C ATOM 1032 C LYS A 68 -20.285 -12.923 -8.526 1.00 0.27 C ATOM 1033 O LYS A 68 -20.565 -14.105 -8.323 1.00 0.32 O ATOM 1034 CB LYS A 68 -19.024 -12.663 -10.665 1.00 0.20 C ATOM 1035 CG LYS A 68 -19.217 -12.939 -12.145 1.00 0.35 C ATOM 1036 CD LYS A 68 -18.002 -12.518 -12.954 1.00 0.43 C ATOM 1037 CE LYS A 68 -17.618 -13.579 -13.971 1.00 0.92 C ATOM 1038 NZ LYS A 68 -18.742 -13.899 -14.893 1.00 1.47 N ATOM 0 H LYS A 68 -19.787 -10.336 -10.132 1.00 0.24 H new ATOM 0 HA LYS A 68 -21.153 -12.834 -10.469 1.00 0.23 H new ATOM 0 HB2 LYS A 68 -18.341 -11.822 -10.544 1.00 0.20 H new ATOM 0 HB3 LYS A 68 -18.551 -13.527 -10.199 1.00 0.20 H new ATOM 0 HG2 LYS A 68 -19.405 -14.002 -12.296 1.00 0.35 H new ATOM 0 HG3 LYS A 68 -20.097 -12.405 -12.504 1.00 0.35 H new ATOM 0 HD2 LYS A 68 -18.212 -11.579 -13.467 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -17.163 -12.334 -12.283 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -16.761 -13.234 -14.550 1.00 0.92 H new ATOM 0 HE3 LYS A 68 -17.307 -14.485 -13.450 1.00 0.92 H new ATOM 0 HZ1 LYS A 68 -18.376 -14.409 -15.722 1.00 1.47 H new ATOM 0 HZ2 LYS A 68 -19.437 -14.495 -14.399 1.00 1.47 H new ATOM 0 HZ3 LYS A 68 -19.199 -13.017 -15.202 1.00 1.47 H new ATOM 1052 N TYR A 69 -19.947 -12.088 -7.545 1.00 0.28 N ATOM 1053 CA TYR A 69 -19.878 -12.528 -6.150 1.00 0.33 C ATOM 1054 C TYR A 69 -21.136 -12.122 -5.396 1.00 0.40 C ATOM 1055 O TYR A 69 -21.368 -12.549 -4.265 1.00 0.46 O ATOM 1056 CB TYR A 69 -18.671 -11.888 -5.470 1.00 0.30 C ATOM 1057 CG TYR A 69 -17.345 -12.299 -6.067 1.00 0.30 C ATOM 1058 CD1 TYR A 69 -16.948 -13.630 -6.081 1.00 0.36 C ATOM 1059 CD2 TYR A 69 -16.497 -11.355 -6.628 1.00 0.30 C ATOM 1060 CE1 TYR A 69 -15.743 -14.006 -6.641 1.00 0.38 C ATOM 1061 CE2 TYR A 69 -15.289 -11.723 -7.187 1.00 0.31 C ATOM 1062 CZ TYR A 69 -14.918 -13.050 -7.192 1.00 0.33 C ATOM 1063 OH TYR A 69 -13.716 -13.421 -7.752 1.00 0.36 O ATOM 0 H TYR A 69 -19.717 -11.105 -7.688 1.00 0.28 H new ATOM 0 HA TYR A 69 -19.787 -13.614 -6.137 1.00 0.33 H new ATOM 0 HB2 TYR A 69 -18.765 -10.804 -5.529 1.00 0.30 H new ATOM 0 HB3 TYR A 69 -18.680 -12.151 -4.412 1.00 0.30 H new ATOM 0 HD1 TYR A 69 -17.591 -14.382 -5.648 1.00 0.36 H new ATOM 0 HD2 TYR A 69 -16.787 -10.315 -6.628 1.00 0.30 H new ATOM 0 HE1 TYR A 69 -15.449 -15.045 -6.647 1.00 0.38 H new ATOM 0 HE2 TYR A 69 -14.639 -10.975 -7.618 1.00 0.31 H new ATOM 0 HH TYR A 69 -13.067 -13.606 -7.041 1.00 0.36 H new ATOM 1073 N GLY A 70 -21.949 -11.304 -6.043 1.00 0.42 N ATOM 1074 CA GLY A 70 -23.180 -10.845 -5.446 1.00 0.51 C ATOM 1075 C GLY A 70 -22.952 -9.887 -4.293 1.00 0.47 C ATOM 1076 O GLY A 70 -23.677 -9.933 -3.299 1.00 0.55 O ATOM 0 H GLY A 70 -21.774 -10.947 -6.982 1.00 0.42 H new ATOM 0 HA2 GLY A 70 -23.786 -10.353 -6.207 1.00 0.51 H new ATOM 0 HA3 GLY A 70 -23.749 -11.704 -5.091 1.00 0.51 H new ATOM 1080 N ILE A 71 -21.972 -8.994 -4.426 1.00 0.37 N ATOM 1081 CA ILE A 71 -21.700 -8.011 -3.387 1.00 0.35 C ATOM 1082 C ILE A 71 -22.753 -6.912 -3.456 1.00 0.50 C ATOM 1083 O ILE A 71 -23.006 -6.365 -4.529 1.00 1.35 O ATOM 1084 CB ILE A 71 -20.297 -7.378 -3.541 1.00 0.28 C ATOM 1085 CG1 ILE A 71 -19.207 -8.455 -3.587 1.00 0.26 C ATOM 1086 CG2 ILE A 71 -20.022 -6.403 -2.405 1.00 0.36 C ATOM 1087 CD1 ILE A 71 -17.831 -7.905 -3.898 1.00 0.33 C ATOM 0 H ILE A 71 -21.359 -8.934 -5.239 1.00 0.37 H new ATOM 0 HA ILE A 71 -21.733 -8.522 -2.425 1.00 0.35 H new ATOM 0 HB ILE A 71 -20.279 -6.833 -4.485 1.00 0.28 H new ATOM 0 HG12 ILE A 71 -19.176 -8.971 -2.627 1.00 0.26 H new ATOM 0 HG13 ILE A 71 -19.472 -9.198 -4.340 1.00 0.26 H new ATOM 0 HG21 ILE A 71 -19.030 -5.968 -2.531 1.00 0.36 H new ATOM 0 HG22 ILE A 71 -20.770 -5.610 -2.417 1.00 0.36 H new ATOM 0 HG23 ILE A 71 -20.068 -6.931 -1.453 1.00 0.36 H new ATOM 0 HD11 ILE A 71 -17.108 -8.721 -3.915 1.00 0.33 H new ATOM 0 HD12 ILE A 71 -17.847 -7.414 -4.871 1.00 0.33 H new ATOM 0 HD13 ILE A 71 -17.546 -7.184 -3.132 1.00 0.33 H new ATOM 1099 N ARG A 72 -23.379 -6.596 -2.331 1.00 0.73 N ATOM 1100 CA ARG A 72 -24.410 -5.569 -2.321 1.00 0.74 C ATOM 1101 C ARG A 72 -24.374 -4.745 -1.040 1.00 0.61 C ATOM 1102 O ARG A 72 -25.317 -4.762 -0.247 1.00 1.19 O ATOM 1103 CB ARG A 72 -25.790 -6.204 -2.498 1.00 1.11 C ATOM 1104 CG ARG A 72 -26.852 -5.218 -2.956 1.00 1.26 C ATOM 1105 CD ARG A 72 -28.203 -5.523 -2.331 1.00 1.72 C ATOM 1106 NE ARG A 72 -28.939 -4.303 -2.003 1.00 2.25 N ATOM 1107 CZ ARG A 72 -30.044 -4.282 -1.263 1.00 2.76 C ATOM 1108 NH1 ARG A 72 -30.544 -5.409 -0.773 1.00 3.10 N ATOM 1109 NH2 ARG A 72 -30.651 -3.131 -1.012 1.00 3.47 N ATOM 0 H ARG A 72 -23.195 -7.029 -1.426 1.00 0.73 H new ATOM 0 HA ARG A 72 -24.212 -4.895 -3.155 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -25.719 -7.014 -3.224 1.00 1.11 H new ATOM 0 HB3 ARG A 72 -26.101 -6.649 -1.553 1.00 1.11 H new ATOM 0 HG2 ARG A 72 -26.548 -4.205 -2.691 1.00 1.26 H new ATOM 0 HG3 ARG A 72 -26.937 -5.252 -4.042 1.00 1.26 H new ATOM 0 HD2 ARG A 72 -28.793 -6.129 -3.019 1.00 1.72 H new ATOM 0 HD3 ARG A 72 -28.060 -6.115 -1.427 1.00 1.72 H new ATOM 0 HE ARG A 72 -28.585 -3.417 -2.362 1.00 2.25 H new ATOM 0 HH11 ARG A 72 -30.081 -6.298 -0.963 1.00 3.10 H new ATOM 0 HH12 ARG A 72 -31.392 -5.387 -0.206 1.00 3.10 H new ATOM 0 HH21 ARG A 72 -30.271 -2.262 -1.386 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -31.498 -3.114 -0.445 1.00 3.47 H new ATOM 1123 N GLY A 73 -23.282 -4.021 -0.855 1.00 0.69 N ATOM 1124 CA GLY A 73 -23.136 -3.189 0.323 1.00 0.86 C ATOM 1125 C GLY A 73 -21.689 -2.953 0.687 1.00 0.77 C ATOM 1126 O GLY A 73 -20.941 -3.897 0.944 1.00 1.15 O ATOM 0 H GLY A 73 -22.492 -3.994 -1.500 1.00 0.69 H new ATOM 0 HA2 GLY A 73 -23.625 -2.230 0.150 1.00 0.86 H new ATOM 0 HA3 GLY A 73 -23.647 -3.660 1.163 1.00 0.86 H new ATOM 1130 N ILE A 74 -21.291 -1.688 0.711 1.00 0.41 N ATOM 1131 CA ILE A 74 -19.923 -1.326 1.051 1.00 0.31 C ATOM 1132 C ILE A 74 -19.869 -0.656 2.420 1.00 0.25 C ATOM 1133 O ILE A 74 -20.854 -0.061 2.861 1.00 0.29 O ATOM 1134 CB ILE A 74 -19.317 -0.386 -0.009 1.00 0.41 C ATOM 1135 CG1 ILE A 74 -20.294 0.740 -0.353 1.00 0.52 C ATOM 1136 CG2 ILE A 74 -18.953 -1.173 -1.260 1.00 0.51 C ATOM 1137 CD1 ILE A 74 -19.689 1.819 -1.225 1.00 0.65 C ATOM 0 H ILE A 74 -21.897 -0.895 0.499 1.00 0.41 H new ATOM 0 HA ILE A 74 -19.337 -2.244 1.078 1.00 0.31 H new ATOM 0 HB ILE A 74 -18.411 0.061 0.401 1.00 0.41 H new ATOM 0 HG12 ILE A 74 -21.160 0.316 -0.861 1.00 0.52 H new ATOM 0 HG13 ILE A 74 -20.656 1.191 0.571 1.00 0.52 H new ATOM 0 HG21 ILE A 74 -18.526 -0.499 -2.002 1.00 0.51 H new ATOM 0 HG22 ILE A 74 -18.224 -1.943 -1.006 1.00 0.51 H new ATOM 0 HG23 ILE A 74 -19.848 -1.642 -1.668 1.00 0.51 H new ATOM 0 HD11 ILE A 74 -20.438 2.584 -1.429 1.00 0.65 H new ATOM 0 HD12 ILE A 74 -18.840 2.270 -0.710 1.00 0.65 H new ATOM 0 HD13 ILE A 74 -19.352 1.381 -2.165 1.00 0.65 H new ATOM 1149 N PRO A 75 -18.724 -0.746 3.126 1.00 0.20 N ATOM 1150 CA PRO A 75 -17.515 -1.439 2.660 1.00 0.17 C ATOM 1151 C PRO A 75 -17.551 -2.950 2.877 1.00 0.14 C ATOM 1152 O PRO A 75 -17.822 -3.423 3.980 1.00 0.12 O ATOM 1153 CB PRO A 75 -16.396 -0.840 3.527 1.00 0.20 C ATOM 1154 CG PRO A 75 -17.047 0.172 4.420 1.00 0.40 C ATOM 1155 CD PRO A 75 -18.512 -0.154 4.444 1.00 0.23 C ATOM 0 HA PRO A 75 -17.391 -1.304 1.586 1.00 0.17 H new ATOM 0 HB2 PRO A 75 -15.903 -1.615 4.114 1.00 0.20 H new ATOM 0 HB3 PRO A 75 -15.631 -0.374 2.906 1.00 0.20 H new ATOM 0 HG2 PRO A 75 -16.625 0.131 5.424 1.00 0.40 H new ATOM 0 HG3 PRO A 75 -16.881 1.182 4.046 1.00 0.40 H new ATOM 0 HD2 PRO A 75 -18.760 -0.849 5.246 1.00 0.23 H new ATOM 0 HD3 PRO A 75 -19.124 0.736 4.593 1.00 0.23 H new ATOM 1163 N THR A 76 -17.249 -3.701 1.822 1.00 0.16 N ATOM 1164 CA THR A 76 -17.211 -5.158 1.897 1.00 0.15 C ATOM 1165 C THR A 76 -15.775 -5.676 1.989 1.00 0.15 C ATOM 1166 O THR A 76 -14.890 -5.208 1.269 1.00 0.20 O ATOM 1167 CB THR A 76 -17.903 -5.781 0.684 1.00 0.18 C ATOM 1168 OG1 THR A 76 -18.612 -4.800 -0.049 1.00 0.45 O ATOM 1169 CG2 THR A 76 -18.878 -6.878 1.054 1.00 0.32 C ATOM 0 H THR A 76 -17.026 -3.323 0.901 1.00 0.16 H new ATOM 0 HA THR A 76 -17.743 -5.449 2.803 1.00 0.15 H new ATOM 0 HB THR A 76 -17.103 -6.215 0.084 1.00 0.18 H new ATOM 0 HG1 THR A 76 -19.318 -4.418 0.513 1.00 0.45 H new ATOM 0 HG21 THR A 76 -19.335 -7.279 0.149 1.00 0.32 H new ATOM 0 HG22 THR A 76 -18.348 -7.675 1.576 1.00 0.32 H new ATOM 0 HG23 THR A 76 -19.654 -6.472 1.703 1.00 0.32 H new ATOM 1177 N LEU A 77 -15.555 -6.672 2.835 1.00 0.12 N ATOM 1178 CA LEU A 77 -14.241 -7.275 2.964 1.00 0.15 C ATOM 1179 C LEU A 77 -14.300 -8.680 2.381 1.00 0.14 C ATOM 1180 O LEU A 77 -15.013 -9.545 2.891 1.00 0.15 O ATOM 1181 CB LEU A 77 -13.777 -7.305 4.430 1.00 0.18 C ATOM 1182 CG LEU A 77 -12.534 -6.466 4.744 1.00 0.75 C ATOM 1183 CD1 LEU A 77 -12.716 -5.036 4.258 1.00 0.27 C ATOM 1184 CD2 LEU A 77 -12.244 -6.489 6.238 1.00 1.81 C ATOM 0 H LEU A 77 -16.269 -7.077 3.440 1.00 0.12 H new ATOM 0 HA LEU A 77 -13.512 -6.677 2.418 1.00 0.15 H new ATOM 0 HB2 LEU A 77 -14.597 -6.959 5.060 1.00 0.18 H new ATOM 0 HB3 LEU A 77 -13.576 -8.339 4.709 1.00 0.18 H new ATOM 0 HG LEU A 77 -11.683 -6.900 4.219 1.00 0.75 H new ATOM 0 HD11 LEU A 77 -11.823 -4.456 4.490 1.00 0.27 H new ATOM 0 HD12 LEU A 77 -12.879 -5.036 3.180 1.00 0.27 H new ATOM 0 HD13 LEU A 77 -13.577 -4.590 4.755 1.00 0.27 H new ATOM 0 HD21 LEU A 77 -11.358 -5.889 6.446 1.00 1.81 H new ATOM 0 HD22 LEU A 77 -13.096 -6.079 6.780 1.00 1.81 H new ATOM 0 HD23 LEU A 77 -12.070 -7.516 6.559 1.00 1.81 H new ATOM 1196 N LEU A 78 -13.579 -8.887 1.284 1.00 0.14 N ATOM 1197 CA LEU A 78 -13.588 -10.179 0.605 1.00 0.15 C ATOM 1198 C LEU A 78 -12.306 -10.954 0.867 1.00 0.15 C ATOM 1199 O LEU A 78 -11.202 -10.423 0.754 1.00 0.15 O ATOM 1200 CB LEU A 78 -13.779 -9.985 -0.910 1.00 0.18 C ATOM 1201 CG LEU A 78 -15.220 -9.763 -1.392 1.00 0.21 C ATOM 1202 CD1 LEU A 78 -15.364 -10.220 -2.830 1.00 0.26 C ATOM 1203 CD2 LEU A 78 -16.221 -10.496 -0.514 1.00 0.24 C ATOM 0 H LEU A 78 -12.984 -8.182 0.848 1.00 0.14 H new ATOM 0 HA LEU A 78 -14.422 -10.756 1.004 1.00 0.15 H new ATOM 0 HB2 LEU A 78 -13.178 -9.131 -1.224 1.00 0.18 H new ATOM 0 HB3 LEU A 78 -13.379 -10.861 -1.420 1.00 0.18 H new ATOM 0 HG LEU A 78 -15.432 -8.696 -1.326 1.00 0.21 H new ATOM 0 HD11 LEU A 78 -16.389 -10.058 -3.162 1.00 0.26 H new ATOM 0 HD12 LEU A 78 -14.683 -9.650 -3.463 1.00 0.26 H new ATOM 0 HD13 LEU A 78 -15.123 -11.281 -2.901 1.00 0.26 H new ATOM 0 HD21 LEU A 78 -17.230 -10.316 -0.885 1.00 0.24 H new ATOM 0 HD22 LEU A 78 -16.011 -11.565 -0.537 1.00 0.24 H new ATOM 0 HD23 LEU A 78 -16.141 -10.133 0.511 1.00 0.24 H new ATOM 1215 N LEU A 79 -12.475 -12.215 1.233 1.00 0.15 N ATOM 1216 CA LEU A 79 -11.350 -13.083 1.537 1.00 0.15 C ATOM 1217 C LEU A 79 -11.226 -14.194 0.511 1.00 0.16 C ATOM 1218 O LEU A 79 -12.116 -15.026 0.392 1.00 0.18 O ATOM 1219 CB LEU A 79 -11.538 -13.704 2.927 1.00 0.17 C ATOM 1220 CG LEU A 79 -10.701 -13.088 4.044 1.00 0.22 C ATOM 1221 CD1 LEU A 79 -9.227 -13.371 3.829 1.00 0.27 C ATOM 1222 CD2 LEU A 79 -10.954 -11.595 4.134 1.00 0.29 C ATOM 0 H LEU A 79 -13.387 -12.662 1.327 1.00 0.15 H new ATOM 0 HA LEU A 79 -10.441 -12.481 1.514 1.00 0.15 H new ATOM 0 HB2 LEU A 79 -12.590 -13.626 3.201 1.00 0.17 H new ATOM 0 HB3 LEU A 79 -11.303 -14.767 2.865 1.00 0.17 H new ATOM 0 HG LEU A 79 -10.999 -13.544 4.988 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -8.649 -12.923 4.637 1.00 0.27 H new ATOM 0 HD12 LEU A 79 -9.061 -14.448 3.818 1.00 0.27 H new ATOM 0 HD13 LEU A 79 -8.910 -12.946 2.877 1.00 0.27 H new ATOM 0 HD21 LEU A 79 -10.349 -11.171 4.936 1.00 0.29 H new ATOM 0 HD22 LEU A 79 -10.686 -11.123 3.189 1.00 0.29 H new ATOM 0 HD23 LEU A 79 -12.009 -11.417 4.342 1.00 0.29 H new ATOM 1234 N PHE A 80 -10.117 -14.225 -0.219 1.00 0.19 N ATOM 1235 CA PHE A 80 -9.902 -15.270 -1.210 1.00 0.21 C ATOM 1236 C PHE A 80 -8.760 -16.179 -0.754 1.00 0.22 C ATOM 1237 O PHE A 80 -7.771 -15.719 -0.184 1.00 0.24 O ATOM 1238 CB PHE A 80 -9.597 -14.659 -2.583 1.00 0.23 C ATOM 1239 CG PHE A 80 -10.802 -14.073 -3.270 1.00 0.22 C ATOM 1240 CD1 PHE A 80 -11.256 -12.804 -2.935 1.00 0.22 C ATOM 1241 CD2 PHE A 80 -11.479 -14.785 -4.252 1.00 0.25 C ATOM 1242 CE1 PHE A 80 -12.359 -12.258 -3.562 1.00 0.23 C ATOM 1243 CE2 PHE A 80 -12.586 -14.241 -4.881 1.00 0.26 C ATOM 1244 CZ PHE A 80 -13.026 -12.976 -4.536 1.00 0.25 C ATOM 0 H PHE A 80 -9.360 -13.545 -0.144 1.00 0.19 H new ATOM 0 HA PHE A 80 -10.811 -15.864 -1.305 1.00 0.21 H new ATOM 0 HB2 PHE A 80 -8.844 -13.880 -2.464 1.00 0.23 H new ATOM 0 HB3 PHE A 80 -9.163 -15.427 -3.223 1.00 0.23 H new ATOM 0 HD1 PHE A 80 -10.740 -12.237 -2.174 1.00 0.22 H new ATOM 0 HD2 PHE A 80 -11.139 -15.772 -4.527 1.00 0.25 H new ATOM 0 HE1 PHE A 80 -12.700 -11.270 -3.291 1.00 0.23 H new ATOM 0 HE2 PHE A 80 -13.106 -14.805 -5.641 1.00 0.26 H new ATOM 0 HZ PHE A 80 -13.889 -12.550 -5.027 1.00 0.25 H new ATOM 1254 N LYS A 81 -8.926 -17.472 -0.992 1.00 0.22 N ATOM 1255 CA LYS A 81 -7.945 -18.484 -0.598 1.00 0.23 C ATOM 1256 C LYS A 81 -7.862 -19.528 -1.698 1.00 0.24 C ATOM 1257 O LYS A 81 -8.783 -20.329 -1.869 1.00 0.24 O ATOM 1258 CB LYS A 81 -8.400 -19.131 0.720 1.00 0.24 C ATOM 1259 CG LYS A 81 -7.302 -19.660 1.641 1.00 0.24 C ATOM 1260 CD LYS A 81 -7.716 -19.477 3.116 1.00 0.25 C ATOM 1261 CE LYS A 81 -6.620 -19.862 4.127 1.00 0.34 C ATOM 1262 NZ LYS A 81 -5.630 -20.808 3.550 1.00 0.46 N ATOM 0 H LYS A 81 -9.745 -17.854 -1.465 1.00 0.22 H new ATOM 0 HA LYS A 81 -6.963 -18.035 -0.451 1.00 0.23 H new ATOM 0 HB2 LYS A 81 -8.985 -18.397 1.275 1.00 0.24 H new ATOM 0 HB3 LYS A 81 -9.070 -19.957 0.480 1.00 0.24 H new ATOM 0 HG2 LYS A 81 -7.119 -20.715 1.434 1.00 0.24 H new ATOM 0 HG3 LYS A 81 -6.369 -19.131 1.449 1.00 0.24 H new ATOM 0 HD2 LYS A 81 -7.995 -18.436 3.278 1.00 0.25 H new ATOM 0 HD3 LYS A 81 -8.603 -20.079 3.311 1.00 0.25 H new ATOM 0 HE2 LYS A 81 -6.106 -18.962 4.463 1.00 0.34 H new ATOM 0 HE3 LYS A 81 -7.081 -20.313 5.006 1.00 0.34 H new ATOM 0 HZ1 LYS A 81 -5.003 -21.157 4.303 1.00 0.46 H new ATOM 0 HZ2 LYS A 81 -6.129 -21.610 3.115 1.00 0.46 H new ATOM 0 HZ3 LYS A 81 -5.064 -20.320 2.827 1.00 0.46 H new ATOM 1276 N ASN A 82 -6.782 -19.501 -2.472 1.00 0.27 N ATOM 1277 CA ASN A 82 -6.639 -20.436 -3.573 1.00 0.29 C ATOM 1278 C ASN A 82 -7.689 -20.128 -4.639 1.00 0.24 C ATOM 1279 O ASN A 82 -8.356 -21.023 -5.156 1.00 0.24 O ATOM 1280 CB ASN A 82 -6.776 -21.872 -3.069 1.00 0.33 C ATOM 1281 CG ASN A 82 -5.985 -22.100 -1.797 1.00 0.55 C ATOM 1282 OD1 ASN A 82 -6.511 -22.592 -0.801 1.00 1.13 O ATOM 1283 ND2 ASN A 82 -4.707 -21.738 -1.831 1.00 0.35 N ATOM 0 H ASN A 82 -6.005 -18.850 -2.357 1.00 0.27 H new ATOM 0 HA ASN A 82 -5.648 -20.330 -4.015 1.00 0.29 H new ATOM 0 HB2 ASN A 82 -7.828 -22.095 -2.888 1.00 0.33 H new ATOM 0 HB3 ASN A 82 -6.432 -22.562 -3.840 1.00 0.33 H new ATOM 0 HD21 ASN A 82 -4.119 -21.865 -1.007 1.00 0.35 H new ATOM 0 HD22 ASN A 82 -4.314 -21.333 -2.681 1.00 0.35 H new ATOM 1290 N GLY A 83 -7.802 -18.840 -4.976 1.00 0.24 N ATOM 1291 CA GLY A 83 -8.747 -18.397 -5.988 1.00 0.23 C ATOM 1292 C GLY A 83 -10.202 -18.603 -5.598 1.00 0.20 C ATOM 1293 O GLY A 83 -11.102 -18.345 -6.394 1.00 0.21 O ATOM 0 H GLY A 83 -7.248 -18.091 -4.559 1.00 0.24 H new ATOM 0 HA2 GLY A 83 -8.580 -17.339 -6.189 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.550 -18.933 -6.916 1.00 0.23 H new ATOM 1297 N GLU A 84 -10.441 -19.055 -4.375 1.00 0.18 N ATOM 1298 CA GLU A 84 -11.797 -19.275 -3.902 1.00 0.18 C ATOM 1299 C GLU A 84 -12.065 -18.380 -2.708 1.00 0.17 C ATOM 1300 O GLU A 84 -11.279 -18.345 -1.761 1.00 0.16 O ATOM 1301 CB GLU A 84 -12.001 -20.746 -3.515 1.00 0.20 C ATOM 1302 CG GLU A 84 -13.413 -21.258 -3.765 1.00 0.61 C ATOM 1303 CD GLU A 84 -13.858 -22.280 -2.732 1.00 0.77 C ATOM 1304 OE1 GLU A 84 -14.050 -21.895 -1.559 1.00 1.38 O ATOM 1305 OE2 GLU A 84 -14.016 -23.463 -3.098 1.00 1.56 O ATOM 0 H GLU A 84 -9.714 -19.276 -3.695 1.00 0.18 H new ATOM 0 HA GLU A 84 -12.496 -19.032 -4.702 1.00 0.18 H new ATOM 0 HB2 GLU A 84 -11.297 -21.360 -4.076 1.00 0.20 H new ATOM 0 HB3 GLU A 84 -11.761 -20.871 -2.459 1.00 0.20 H new ATOM 0 HG2 GLU A 84 -14.106 -20.417 -3.760 1.00 0.61 H new ATOM 0 HG3 GLU A 84 -13.462 -21.706 -4.758 1.00 0.61 H new ATOM 1312 N VAL A 85 -13.179 -17.659 -2.739 1.00 0.18 N ATOM 1313 CA VAL A 85 -13.513 -16.779 -1.632 1.00 0.18 C ATOM 1314 C VAL A 85 -13.522 -17.596 -0.344 1.00 0.18 C ATOM 1315 O VAL A 85 -14.283 -18.553 -0.208 1.00 0.21 O ATOM 1316 CB VAL A 85 -14.874 -16.086 -1.841 1.00 0.21 C ATOM 1317 CG1 VAL A 85 -15.963 -17.106 -2.133 1.00 1.21 C ATOM 1318 CG2 VAL A 85 -15.232 -15.229 -0.634 1.00 1.21 C ATOM 0 H VAL A 85 -13.854 -17.666 -3.504 1.00 0.18 H new ATOM 0 HA VAL A 85 -12.762 -15.991 -1.572 1.00 0.18 H new ATOM 0 HB VAL A 85 -14.793 -15.430 -2.707 1.00 0.21 H new ATOM 0 HG11 VAL A 85 -16.914 -16.592 -2.277 1.00 1.21 H new ATOM 0 HG12 VAL A 85 -15.710 -17.660 -3.037 1.00 1.21 H new ATOM 0 HG13 VAL A 85 -16.048 -17.798 -1.295 1.00 1.21 H new ATOM 0 HG21 VAL A 85 -16.196 -14.749 -0.802 1.00 1.21 H new ATOM 0 HG22 VAL A 85 -15.290 -15.858 0.254 1.00 1.21 H new ATOM 0 HG23 VAL A 85 -14.467 -14.466 -0.490 1.00 1.21 H new ATOM 1328 N ALA A 86 -12.632 -17.247 0.573 1.00 0.17 N ATOM 1329 CA ALA A 86 -12.493 -17.977 1.820 1.00 0.19 C ATOM 1330 C ALA A 86 -13.246 -17.340 2.966 1.00 0.20 C ATOM 1331 O ALA A 86 -13.346 -17.912 4.050 1.00 0.23 O ATOM 1332 CB ALA A 86 -11.022 -18.096 2.162 1.00 0.21 C ATOM 0 H ALA A 86 -11.993 -16.458 0.474 1.00 0.17 H new ATOM 0 HA ALA A 86 -12.933 -18.964 1.675 1.00 0.19 H new ATOM 0 HB1 ALA A 86 -10.909 -18.643 3.098 1.00 0.21 H new ATOM 0 HB2 ALA A 86 -10.505 -18.630 1.365 1.00 0.21 H new ATOM 0 HB3 ALA A 86 -10.592 -17.100 2.270 1.00 0.21 H new ATOM 1338 N ALA A 87 -13.781 -16.172 2.724 1.00 0.20 N ATOM 1339 CA ALA A 87 -14.535 -15.472 3.750 1.00 0.23 C ATOM 1340 C ALA A 87 -15.127 -14.170 3.235 1.00 0.24 C ATOM 1341 O ALA A 87 -14.542 -13.497 2.385 1.00 0.25 O ATOM 1342 CB ALA A 87 -13.656 -15.216 4.966 1.00 0.23 C ATOM 0 H ALA A 87 -13.714 -15.681 1.832 1.00 0.20 H new ATOM 0 HA ALA A 87 -15.368 -16.112 4.040 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -14.232 -14.691 5.728 1.00 0.23 H new ATOM 0 HB2 ALA A 87 -13.305 -16.166 5.368 1.00 0.23 H new ATOM 0 HB3 ALA A 87 -12.800 -14.607 4.675 1.00 0.23 H new ATOM 1348 N THR A 88 -16.272 -13.798 3.787 1.00 0.27 N ATOM 1349 CA THR A 88 -16.928 -12.555 3.420 1.00 0.29 C ATOM 1350 C THR A 88 -17.218 -11.738 4.668 1.00 0.30 C ATOM 1351 O THR A 88 -17.464 -12.290 5.741 1.00 0.39 O ATOM 1352 CB THR A 88 -18.233 -12.817 2.666 1.00 0.38 C ATOM 1353 OG1 THR A 88 -18.901 -11.598 2.393 1.00 1.30 O ATOM 1354 CG2 THR A 88 -19.193 -13.705 3.427 1.00 1.54 C ATOM 0 H THR A 88 -16.767 -14.343 4.493 1.00 0.27 H new ATOM 0 HA THR A 88 -16.258 -12.001 2.763 1.00 0.29 H new ATOM 0 HB THR A 88 -17.943 -13.326 1.747 1.00 0.38 H new ATOM 0 HG1 THR A 88 -19.733 -11.782 1.909 1.00 1.30 H new ATOM 0 HG21 THR A 88 -20.098 -13.852 2.838 1.00 1.54 H new ATOM 0 HG22 THR A 88 -18.723 -14.670 3.617 1.00 1.54 H new ATOM 0 HG23 THR A 88 -19.450 -13.234 4.376 1.00 1.54 H new ATOM 1362 N LYS A 89 -17.195 -10.424 4.523 1.00 0.22 N ATOM 1363 CA LYS A 89 -17.463 -9.525 5.630 1.00 0.22 C ATOM 1364 C LYS A 89 -18.091 -8.246 5.096 1.00 0.23 C ATOM 1365 O LYS A 89 -17.611 -7.670 4.120 1.00 0.24 O ATOM 1366 CB LYS A 89 -16.174 -9.226 6.401 1.00 0.23 C ATOM 1367 CG LYS A 89 -16.244 -9.617 7.868 1.00 0.46 C ATOM 1368 CD LYS A 89 -17.135 -8.671 8.654 1.00 0.75 C ATOM 1369 CE LYS A 89 -16.801 -8.692 10.137 1.00 0.99 C ATOM 1370 NZ LYS A 89 -17.976 -8.326 10.976 1.00 1.39 N ATOM 0 H LYS A 89 -16.991 -9.954 3.641 1.00 0.22 H new ATOM 0 HA LYS A 89 -18.159 -9.997 6.323 1.00 0.22 H new ATOM 0 HB2 LYS A 89 -15.346 -9.757 5.930 1.00 0.23 H new ATOM 0 HB3 LYS A 89 -15.953 -8.161 6.327 1.00 0.23 H new ATOM 0 HG2 LYS A 89 -16.624 -10.635 7.957 1.00 0.46 H new ATOM 0 HG3 LYS A 89 -15.241 -9.613 8.295 1.00 0.46 H new ATOM 0 HD2 LYS A 89 -17.021 -7.658 8.269 1.00 0.75 H new ATOM 0 HD3 LYS A 89 -18.179 -8.950 8.511 1.00 0.75 H new ATOM 0 HE2 LYS A 89 -16.451 -9.686 10.416 1.00 0.99 H new ATOM 0 HE3 LYS A 89 -15.983 -7.999 10.335 1.00 0.99 H new ATOM 0 HZ1 LYS A 89 -17.707 -8.352 11.980 1.00 1.39 H new ATOM 0 HZ2 LYS A 89 -18.295 -7.368 10.728 1.00 1.39 H new ATOM 0 HZ3 LYS A 89 -18.748 -9.002 10.807 1.00 1.39 H new ATOM 1384 N VAL A 90 -19.176 -7.816 5.722 1.00 0.22 N ATOM 1385 CA VAL A 90 -19.886 -6.619 5.293 1.00 0.23 C ATOM 1386 C VAL A 90 -19.822 -5.524 6.353 1.00 0.22 C ATOM 1387 O VAL A 90 -19.806 -5.808 7.551 1.00 0.22 O ATOM 1388 CB VAL A 90 -21.358 -6.931 4.969 1.00 0.27 C ATOM 1389 CG1 VAL A 90 -22.018 -5.744 4.289 1.00 0.30 C ATOM 1390 CG2 VAL A 90 -21.461 -8.179 4.100 1.00 0.30 C ATOM 0 H VAL A 90 -19.586 -8.280 6.532 1.00 0.22 H new ATOM 0 HA VAL A 90 -19.391 -6.263 4.389 1.00 0.23 H new ATOM 0 HB VAL A 90 -21.884 -7.123 5.904 1.00 0.27 H new ATOM 0 HG11 VAL A 90 -23.058 -5.984 4.068 1.00 0.30 H new ATOM 0 HG12 VAL A 90 -21.978 -4.878 4.949 1.00 0.30 H new ATOM 0 HG13 VAL A 90 -21.493 -5.518 3.361 1.00 0.30 H new ATOM 0 HG21 VAL A 90 -22.509 -8.384 3.881 1.00 0.30 H new ATOM 0 HG22 VAL A 90 -20.920 -8.019 3.167 1.00 0.30 H new ATOM 0 HG23 VAL A 90 -21.028 -9.028 4.629 1.00 0.30 H new ATOM 1400 N GLY A 91 -19.787 -4.273 5.905 1.00 0.23 N ATOM 1401 CA GLY A 91 -19.723 -3.155 6.823 1.00 0.24 C ATOM 1402 C GLY A 91 -18.321 -2.878 7.326 1.00 0.21 C ATOM 1403 O GLY A 91 -17.438 -3.730 7.236 1.00 0.20 O ATOM 0 H GLY A 91 -19.802 -4.015 4.918 1.00 0.23 H new ATOM 0 HA2 GLY A 91 -20.108 -2.263 6.328 1.00 0.24 H new ATOM 0 HA3 GLY A 91 -20.375 -3.353 7.674 1.00 0.24 H new ATOM 1407 N ALA A 92 -18.121 -1.671 7.850 1.00 0.23 N ATOM 1408 CA ALA A 92 -16.820 -1.260 8.364 1.00 0.24 C ATOM 1409 C ALA A 92 -16.471 -2.002 9.648 1.00 0.23 C ATOM 1410 O ALA A 92 -17.316 -2.679 10.235 1.00 0.44 O ATOM 1411 CB ALA A 92 -16.801 0.243 8.603 1.00 0.31 C ATOM 0 H ALA A 92 -18.847 -0.959 7.929 1.00 0.23 H new ATOM 0 HA ALA A 92 -16.068 -1.513 7.616 1.00 0.24 H new ATOM 0 HB1 ALA A 92 -15.824 0.538 8.987 1.00 0.31 H new ATOM 0 HB2 ALA A 92 -16.994 0.763 7.665 1.00 0.31 H new ATOM 0 HB3 ALA A 92 -17.571 0.506 9.329 1.00 0.31 H new ATOM 1417 N LEU A 93 -15.220 -1.872 10.076 1.00 0.29 N ATOM 1418 CA LEU A 93 -14.757 -2.533 11.287 1.00 0.29 C ATOM 1419 C LEU A 93 -13.525 -1.838 11.863 1.00 0.32 C ATOM 1420 O LEU A 93 -12.992 -0.897 11.275 1.00 0.63 O ATOM 1421 CB LEU A 93 -14.442 -4.005 10.996 1.00 0.28 C ATOM 1422 CG LEU A 93 -13.780 -4.273 9.640 1.00 0.43 C ATOM 1423 CD1 LEU A 93 -12.988 -5.572 9.674 1.00 0.36 C ATOM 1424 CD2 LEU A 93 -14.827 -4.315 8.537 1.00 0.86 C ATOM 0 H LEU A 93 -14.510 -1.315 9.601 1.00 0.29 H new ATOM 0 HA LEU A 93 -15.554 -2.475 12.028 1.00 0.29 H new ATOM 0 HB2 LEU A 93 -13.789 -4.383 11.783 1.00 0.28 H new ATOM 0 HB3 LEU A 93 -15.369 -4.576 11.049 1.00 0.28 H new ATOM 0 HG LEU A 93 -13.088 -3.458 9.430 1.00 0.43 H new ATOM 0 HD11 LEU A 93 -12.527 -5.742 8.701 1.00 0.36 H new ATOM 0 HD12 LEU A 93 -12.212 -5.505 10.437 1.00 0.36 H new ATOM 0 HD13 LEU A 93 -13.657 -6.400 9.908 1.00 0.36 H new ATOM 0 HD21 LEU A 93 -14.340 -4.506 7.581 1.00 0.86 H new ATOM 0 HD22 LEU A 93 -15.543 -5.110 8.745 1.00 0.86 H new ATOM 0 HD23 LEU A 93 -15.349 -3.359 8.494 1.00 0.86 H new ATOM 1436 N SER A 94 -13.071 -2.331 13.009 1.00 0.35 N ATOM 1437 CA SER A 94 -11.892 -1.779 13.667 1.00 0.32 C ATOM 1438 C SER A 94 -10.641 -2.514 13.206 1.00 0.27 C ATOM 1439 O SER A 94 -10.727 -3.480 12.448 1.00 0.31 O ATOM 1440 CB SER A 94 -12.026 -1.874 15.186 1.00 0.38 C ATOM 1441 OG SER A 94 -12.707 -0.746 15.709 1.00 0.98 O ATOM 0 H SER A 94 -13.502 -3.113 13.503 1.00 0.35 H new ATOM 0 HA SER A 94 -11.807 -0.727 13.393 1.00 0.32 H new ATOM 0 HB2 SER A 94 -12.565 -2.783 15.451 1.00 0.38 H new ATOM 0 HB3 SER A 94 -11.037 -1.947 15.638 1.00 0.38 H new ATOM 0 HG SER A 94 -12.782 -0.831 16.682 1.00 0.98 H new ATOM 1447 N LYS A 95 -9.481 -2.054 13.657 1.00 0.25 N ATOM 1448 CA LYS A 95 -8.222 -2.679 13.272 1.00 0.24 C ATOM 1449 C LYS A 95 -8.061 -4.051 13.921 1.00 0.22 C ATOM 1450 O LYS A 95 -7.408 -4.930 13.359 1.00 0.21 O ATOM 1451 CB LYS A 95 -7.037 -1.787 13.642 1.00 0.27 C ATOM 1452 CG LYS A 95 -5.693 -2.370 13.235 1.00 0.29 C ATOM 1453 CD LYS A 95 -4.722 -1.287 12.798 1.00 0.48 C ATOM 1454 CE LYS A 95 -3.417 -1.882 12.295 1.00 0.45 C ATOM 1455 NZ LYS A 95 -2.246 -1.048 12.677 1.00 1.17 N ATOM 0 H LYS A 95 -9.385 -1.256 14.285 1.00 0.25 H new ATOM 0 HA LYS A 95 -8.242 -2.811 12.190 1.00 0.24 H new ATOM 0 HB2 LYS A 95 -7.162 -0.814 13.167 1.00 0.27 H new ATOM 0 HB3 LYS A 95 -7.041 -1.619 14.719 1.00 0.27 H new ATOM 0 HG2 LYS A 95 -5.268 -2.924 14.072 1.00 0.29 H new ATOM 0 HG3 LYS A 95 -5.836 -3.081 12.421 1.00 0.29 H new ATOM 0 HD2 LYS A 95 -5.176 -0.685 12.011 1.00 0.48 H new ATOM 0 HD3 LYS A 95 -4.520 -0.618 13.635 1.00 0.48 H new ATOM 0 HE2 LYS A 95 -3.295 -2.887 12.700 1.00 0.45 H new ATOM 0 HE3 LYS A 95 -3.456 -1.979 11.210 1.00 0.45 H new ATOM 0 HZ1 LYS A 95 -1.375 -1.487 12.316 1.00 1.17 H new ATOM 0 HZ2 LYS A 95 -2.349 -0.097 12.269 1.00 1.17 H new ATOM 0 HZ3 LYS A 95 -2.194 -0.977 13.713 1.00 1.17 H new ATOM 1469 N GLY A 96 -8.626 -4.222 15.112 1.00 0.22 N ATOM 1470 CA GLY A 96 -8.503 -5.489 15.802 1.00 0.22 C ATOM 1471 C GLY A 96 -9.421 -6.563 15.245 1.00 0.21 C ATOM 1472 O GLY A 96 -9.071 -7.743 15.251 1.00 0.21 O ATOM 0 H GLY A 96 -9.163 -3.510 15.607 1.00 0.22 H new ATOM 0 HA2 GLY A 96 -7.471 -5.833 15.737 1.00 0.22 H new ATOM 0 HA3 GLY A 96 -8.724 -5.343 16.859 1.00 0.22 H new ATOM 1476 N GLN A 97 -10.588 -6.157 14.746 1.00 0.22 N ATOM 1477 CA GLN A 97 -11.540 -7.109 14.174 1.00 0.23 C ATOM 1478 C GLN A 97 -11.082 -7.578 12.802 1.00 0.23 C ATOM 1479 O GLN A 97 -11.364 -8.703 12.392 1.00 0.24 O ATOM 1480 CB GLN A 97 -12.929 -6.487 14.051 1.00 0.26 C ATOM 1481 CG GLN A 97 -13.346 -5.685 15.269 1.00 0.26 C ATOM 1482 CD GLN A 97 -14.630 -4.918 15.041 1.00 0.32 C ATOM 1483 OE1 GLN A 97 -15.034 -4.688 13.902 1.00 0.69 O ATOM 1484 NE2 GLN A 97 -15.280 -4.513 16.126 1.00 1.00 N ATOM 0 H GLN A 97 -10.895 -5.185 14.726 1.00 0.22 H new ATOM 0 HA GLN A 97 -11.588 -7.964 14.849 1.00 0.23 H new ATOM 0 HB2 GLN A 97 -12.951 -5.839 13.175 1.00 0.26 H new ATOM 0 HB3 GLN A 97 -13.659 -7.279 13.881 1.00 0.26 H new ATOM 0 HG2 GLN A 97 -13.473 -6.357 16.118 1.00 0.26 H new ATOM 0 HG3 GLN A 97 -12.551 -4.987 15.531 1.00 0.26 H new ATOM 0 HE21 GLN A 97 -14.909 -4.726 17.052 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -16.150 -3.989 16.033 1.00 1.00 H new ATOM 1493 N LEU A 98 -10.377 -6.708 12.093 1.00 0.22 N ATOM 1494 CA LEU A 98 -9.877 -7.049 10.768 1.00 0.23 C ATOM 1495 C LEU A 98 -8.717 -8.030 10.890 1.00 0.20 C ATOM 1496 O LEU A 98 -8.703 -9.083 10.253 1.00 0.21 O ATOM 1497 CB LEU A 98 -9.432 -5.794 10.018 1.00 0.25 C ATOM 1498 CG LEU A 98 -9.774 -5.786 8.528 1.00 0.26 C ATOM 1499 CD1 LEU A 98 -9.825 -4.361 8.003 1.00 0.42 C ATOM 1500 CD2 LEU A 98 -8.768 -6.613 7.743 1.00 0.35 C ATOM 0 H LEU A 98 -10.139 -5.768 12.409 1.00 0.22 H new ATOM 0 HA LEU A 98 -10.682 -7.517 10.201 1.00 0.23 H new ATOM 0 HB2 LEU A 98 -9.892 -4.924 10.487 1.00 0.25 H new ATOM 0 HB3 LEU A 98 -8.353 -5.683 10.130 1.00 0.25 H new ATOM 0 HG LEU A 98 -10.758 -6.235 8.398 1.00 0.26 H new ATOM 0 HD11 LEU A 98 -10.070 -4.373 6.941 1.00 0.42 H new ATOM 0 HD12 LEU A 98 -10.587 -3.801 8.545 1.00 0.42 H new ATOM 0 HD13 LEU A 98 -8.855 -3.885 8.146 1.00 0.42 H new ATOM 0 HD21 LEU A 98 -9.029 -6.595 6.685 1.00 0.35 H new ATOM 0 HD22 LEU A 98 -7.770 -6.196 7.878 1.00 0.35 H new ATOM 0 HD23 LEU A 98 -8.783 -7.642 8.103 1.00 0.35 H new ATOM 1512 N LYS A 99 -7.749 -7.669 11.728 1.00 0.18 N ATOM 1513 CA LYS A 99 -6.574 -8.501 11.964 1.00 0.18 C ATOM 1514 C LYS A 99 -6.983 -9.856 12.520 1.00 0.16 C ATOM 1515 O LYS A 99 -6.495 -10.898 12.079 1.00 0.16 O ATOM 1516 CB LYS A 99 -5.649 -7.812 12.961 1.00 0.19 C ATOM 1517 CG LYS A 99 -4.170 -8.036 12.705 1.00 0.26 C ATOM 1518 CD LYS A 99 -3.322 -7.233 13.677 1.00 0.40 C ATOM 1519 CE LYS A 99 -3.194 -7.938 15.019 1.00 1.22 C ATOM 1520 NZ LYS A 99 -2.389 -7.147 15.990 1.00 1.64 N ATOM 0 H LYS A 99 -7.757 -6.798 12.259 1.00 0.18 H new ATOM 0 HA LYS A 99 -6.057 -8.646 11.015 1.00 0.18 H new ATOM 0 HB2 LYS A 99 -5.850 -6.741 12.944 1.00 0.19 H new ATOM 0 HB3 LYS A 99 -5.889 -8.165 13.964 1.00 0.19 H new ATOM 0 HG2 LYS A 99 -3.937 -9.096 12.803 1.00 0.26 H new ATOM 0 HG3 LYS A 99 -3.927 -7.749 11.682 1.00 0.26 H new ATOM 0 HD2 LYS A 99 -2.331 -7.075 13.252 1.00 0.40 H new ATOM 0 HD3 LYS A 99 -3.767 -6.249 13.823 1.00 0.40 H new ATOM 0 HE2 LYS A 99 -4.187 -8.116 15.431 1.00 1.22 H new ATOM 0 HE3 LYS A 99 -2.730 -8.914 14.873 1.00 1.22 H new ATOM 0 HZ1 LYS A 99 -2.326 -7.663 16.891 1.00 1.64 H new ATOM 0 HZ2 LYS A 99 -1.433 -6.999 15.609 1.00 1.64 H new ATOM 0 HZ3 LYS A 99 -2.845 -6.226 16.150 1.00 1.64 H new ATOM 1534 N GLU A 100 -7.888 -9.834 13.488 1.00 0.16 N ATOM 1535 CA GLU A 100 -8.369 -11.061 14.103 1.00 0.15 C ATOM 1536 C GLU A 100 -9.016 -11.957 13.052 1.00 0.15 C ATOM 1537 O GLU A 100 -8.840 -13.174 13.060 1.00 0.15 O ATOM 1538 CB GLU A 100 -9.346 -10.748 15.242 1.00 0.18 C ATOM 1539 CG GLU A 100 -10.738 -10.347 14.784 1.00 0.21 C ATOM 1540 CD GLU A 100 -11.697 -11.519 14.724 1.00 0.91 C ATOM 1541 OE1 GLU A 100 -11.916 -12.160 15.773 1.00 1.43 O ATOM 1542 OE2 GLU A 100 -12.238 -11.790 13.630 1.00 1.81 O ATOM 0 H GLU A 100 -8.303 -8.981 13.863 1.00 0.16 H new ATOM 0 HA GLU A 100 -7.521 -11.595 14.531 1.00 0.15 H new ATOM 0 HB2 GLU A 100 -9.427 -11.624 15.886 1.00 0.18 H new ATOM 0 HB3 GLU A 100 -8.931 -9.944 15.849 1.00 0.18 H new ATOM 0 HG2 GLU A 100 -11.136 -9.593 15.463 1.00 0.21 H new ATOM 0 HG3 GLU A 100 -10.673 -9.886 13.798 1.00 0.21 H new ATOM 1549 N PHE A 101 -9.745 -11.331 12.131 1.00 0.15 N ATOM 1550 CA PHE A 101 -10.414 -12.042 11.043 1.00 0.16 C ATOM 1551 C PHE A 101 -9.405 -12.747 10.137 1.00 0.17 C ATOM 1552 O PHE A 101 -9.609 -13.888 9.715 1.00 0.19 O ATOM 1553 CB PHE A 101 -11.241 -11.053 10.215 1.00 0.19 C ATOM 1554 CG PHE A 101 -12.197 -11.707 9.258 1.00 0.19 C ATOM 1555 CD1 PHE A 101 -12.956 -12.800 9.648 1.00 0.26 C ATOM 1556 CD2 PHE A 101 -12.332 -11.229 7.966 1.00 0.22 C ATOM 1557 CE1 PHE A 101 -13.830 -13.402 8.768 1.00 0.28 C ATOM 1558 CE2 PHE A 101 -13.207 -11.829 7.079 1.00 0.24 C ATOM 1559 CZ PHE A 101 -13.957 -12.918 7.481 1.00 0.25 C ATOM 0 H PHE A 101 -9.889 -10.321 12.117 1.00 0.15 H new ATOM 0 HA PHE A 101 -11.066 -12.798 11.481 1.00 0.16 H new ATOM 0 HB2 PHE A 101 -11.803 -10.410 10.892 1.00 0.19 H new ATOM 0 HB3 PHE A 101 -10.564 -10.410 9.653 1.00 0.19 H new ATOM 0 HD1 PHE A 101 -12.861 -13.184 10.653 1.00 0.26 H new ATOM 0 HD2 PHE A 101 -11.748 -10.378 7.647 1.00 0.22 H new ATOM 0 HE1 PHE A 101 -14.415 -14.252 9.085 1.00 0.28 H new ATOM 0 HE2 PHE A 101 -13.304 -11.447 6.073 1.00 0.24 H new ATOM 0 HZ PHE A 101 -14.641 -13.389 6.790 1.00 0.25 H new ATOM 1569 N LEU A 102 -8.309 -12.055 9.845 1.00 0.17 N ATOM 1570 CA LEU A 102 -7.273 -12.612 8.988 1.00 0.19 C ATOM 1571 C LEU A 102 -6.576 -13.765 9.681 1.00 0.19 C ATOM 1572 O LEU A 102 -6.539 -14.874 9.159 1.00 0.23 O ATOM 1573 CB LEU A 102 -6.261 -11.543 8.593 1.00 0.21 C ATOM 1574 CG LEU A 102 -6.569 -10.836 7.277 1.00 0.21 C ATOM 1575 CD1 LEU A 102 -5.743 -9.566 7.157 1.00 0.31 C ATOM 1576 CD2 LEU A 102 -6.307 -11.763 6.100 1.00 0.22 C ATOM 0 H LEU A 102 -8.117 -11.114 10.187 1.00 0.17 H new ATOM 0 HA LEU A 102 -7.748 -12.985 8.081 1.00 0.19 H new ATOM 0 HB2 LEU A 102 -6.209 -10.798 9.387 1.00 0.21 H new ATOM 0 HB3 LEU A 102 -5.275 -12.002 8.522 1.00 0.21 H new ATOM 0 HG LEU A 102 -7.624 -10.563 7.266 1.00 0.21 H new ATOM 0 HD11 LEU A 102 -5.972 -9.071 6.213 1.00 0.31 H new ATOM 0 HD12 LEU A 102 -5.981 -8.898 7.985 1.00 0.31 H new ATOM 0 HD13 LEU A 102 -4.683 -9.817 7.187 1.00 0.31 H new ATOM 0 HD21 LEU A 102 -6.532 -11.242 5.169 1.00 0.22 H new ATOM 0 HD22 LEU A 102 -5.260 -12.067 6.102 1.00 0.22 H new ATOM 0 HD23 LEU A 102 -6.941 -12.646 6.184 1.00 0.22 H new ATOM 1588 N ASP A 103 -6.038 -13.507 10.871 1.00 0.19 N ATOM 1589 CA ASP A 103 -5.365 -14.555 11.627 1.00 0.23 C ATOM 1590 C ASP A 103 -6.224 -15.820 11.630 1.00 0.22 C ATOM 1591 O ASP A 103 -5.710 -16.936 11.631 1.00 0.25 O ATOM 1592 CB ASP A 103 -5.105 -14.094 13.065 1.00 0.26 C ATOM 1593 CG ASP A 103 -3.781 -14.596 13.608 1.00 0.37 C ATOM 1594 OD1 ASP A 103 -3.617 -15.828 13.735 1.00 1.19 O ATOM 1595 OD2 ASP A 103 -2.907 -13.755 13.912 1.00 0.91 O ATOM 0 H ASP A 103 -6.055 -12.594 11.326 1.00 0.19 H new ATOM 0 HA ASP A 103 -4.407 -14.771 11.154 1.00 0.23 H new ATOM 0 HB2 ASP A 103 -5.119 -13.005 13.102 1.00 0.26 H new ATOM 0 HB3 ASP A 103 -5.913 -14.445 13.707 1.00 0.26 H new ATOM 1600 N ALA A 104 -7.539 -15.617 11.631 1.00 0.20 N ATOM 1601 CA ALA A 104 -8.501 -16.716 11.636 1.00 0.21 C ATOM 1602 C ALA A 104 -8.609 -17.431 10.282 1.00 0.21 C ATOM 1603 O ALA A 104 -9.032 -18.585 10.227 1.00 0.23 O ATOM 1604 CB ALA A 104 -9.870 -16.203 12.056 1.00 0.21 C ATOM 0 H ALA A 104 -7.966 -14.691 11.628 1.00 0.20 H new ATOM 0 HA ALA A 104 -8.134 -17.450 12.353 1.00 0.21 H new ATOM 0 HB1 ALA A 104 -10.583 -17.028 12.058 1.00 0.21 H new ATOM 0 HB2 ALA A 104 -9.807 -15.776 13.057 1.00 0.21 H new ATOM 0 HB3 ALA A 104 -10.202 -15.437 11.355 1.00 0.21 H new ATOM 1610 N ASN A 105 -8.258 -16.746 9.192 1.00 0.21 N ATOM 1611 CA ASN A 105 -8.358 -17.336 7.847 1.00 0.25 C ATOM 1612 C ASN A 105 -6.975 -17.640 7.258 1.00 0.31 C ATOM 1613 O ASN A 105 -6.820 -18.544 6.440 1.00 0.59 O ATOM 1614 CB ASN A 105 -9.093 -16.351 6.927 1.00 0.27 C ATOM 1615 CG ASN A 105 -10.261 -16.971 6.183 1.00 0.28 C ATOM 1616 OD1 ASN A 105 -11.072 -17.696 6.759 1.00 0.36 O ATOM 1617 ND2 ASN A 105 -10.348 -16.677 4.890 1.00 0.29 N ATOM 0 H ASN A 105 -7.904 -15.789 9.209 1.00 0.21 H new ATOM 0 HA ASN A 105 -8.905 -18.276 7.925 1.00 0.25 H new ATOM 0 HB2 ASN A 105 -9.456 -15.513 7.522 1.00 0.27 H new ATOM 0 HB3 ASN A 105 -8.386 -15.946 6.203 1.00 0.27 H new ATOM 0 HD21 ASN A 105 -11.112 -17.057 4.331 1.00 0.29 H new ATOM 0 HD22 ASN A 105 -9.651 -16.071 4.457 1.00 0.29 H new ATOM 1624 N LEU A 106 -5.986 -16.861 7.676 1.00 0.20 N ATOM 1625 CA LEU A 106 -4.599 -16.990 7.214 1.00 0.21 C ATOM 1626 C LEU A 106 -3.968 -18.328 7.629 1.00 0.33 C ATOM 1627 O LEU A 106 -2.801 -18.590 7.340 1.00 1.17 O ATOM 1628 CB LEU A 106 -3.817 -15.808 7.808 1.00 0.21 C ATOM 1629 CG LEU A 106 -2.363 -15.619 7.364 1.00 0.36 C ATOM 1630 CD1 LEU A 106 -1.945 -14.171 7.577 1.00 1.35 C ATOM 1631 CD2 LEU A 106 -1.436 -16.543 8.138 1.00 1.26 C ATOM 0 H LEU A 106 -6.120 -16.111 8.354 1.00 0.20 H new ATOM 0 HA LEU A 106 -4.570 -16.975 6.124 1.00 0.21 H new ATOM 0 HB2 LEU A 106 -4.361 -14.894 7.571 1.00 0.21 H new ATOM 0 HB3 LEU A 106 -3.825 -15.912 8.893 1.00 0.21 H new ATOM 0 HG LEU A 106 -2.290 -15.867 6.305 1.00 0.36 H new ATOM 0 HD11 LEU A 106 -0.910 -14.041 7.260 1.00 1.35 H new ATOM 0 HD12 LEU A 106 -2.589 -13.516 6.990 1.00 1.35 H new ATOM 0 HD13 LEU A 106 -2.036 -13.918 8.633 1.00 1.35 H new ATOM 0 HD21 LEU A 106 -0.409 -16.391 7.805 1.00 1.26 H new ATOM 0 HD22 LEU A 106 -1.509 -16.323 9.203 1.00 1.26 H new ATOM 0 HD23 LEU A 106 -1.725 -17.579 7.961 1.00 1.26 H new