USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 736 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 LYS NZ :NH3+ -100:sc= 1.17 (180deg=-0.622) USER MOD Set 1.2: A 116 GLN : amide:sc= 1 K(o=2.2,f=-12!) USER MOD Set 2.1: A 49 SER OG : rot 170:sc= -0.438 USER MOD Set 2.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.064) USER MOD Single : A 22 GLN : amide:sc= -2.94! C(o=-2.9!,f=-5.3!) USER MOD Single : A 26 GLN : amide:sc= -1.03 K(o=-1,f=-0.17) USER MOD Single : A 29 MET CE :methyl -177:sc= 0 (180deg=-0.00085) USER MOD Single : A 32 TYR OH : rot 111:sc= 0.579 USER MOD Single : A 33 ASN : amide:sc= -10.2! C(o=-10!,f=-20!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0881 USER MOD Single : A 37 ASN : amide:sc= -1.58! C(o=-1.6!,f=-1.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 95:sc= -0.176! USER MOD Single : A 42 SER OG : rot -160:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc=-0.00957 X(o=-0.0096,f=0) USER MOD Single : A 69 THR OG1 : rot 130:sc= -1.96! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.75) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 54:sc= 0.62 USER MOD Single : A 94 THR OG1 : rot 11:sc= 0.0559 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.422 K(o=-0.42,f=-3.3!) USER MOD Single : A 109 LYS NZ :NH3+ -154:sc= -0.131 (180deg=-0.785) USER MOD Single : A 113 SER OG : rot 113:sc= 0.235 USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 10 -15.831 -0.287 16.773 1.00 0.00 N ATOM 8 CA ALA A 10 -14.421 0.065 17.097 1.00 0.00 C ATOM 9 C ALA A 10 -13.487 -0.545 16.045 1.00 0.00 C ATOM 10 O ALA A 10 -13.684 -1.666 15.621 1.00 0.00 O ATOM 11 CB ALA A 10 -14.059 -0.482 18.478 1.00 0.00 C ATOM 0 HA ALA A 10 -14.311 1.149 17.097 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.027 -0.223 18.713 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -14.721 -0.047 19.227 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.171 -1.566 18.481 1.00 0.00 H new ATOM 17 N PRO A 11 -12.494 0.216 15.660 1.00 0.00 N ATOM 18 CA PRO A 11 -11.480 -0.205 14.652 1.00 0.00 C ATOM 19 C PRO A 11 -10.387 -1.051 15.316 1.00 0.00 C ATOM 20 O PRO A 11 -9.869 -0.704 16.358 1.00 0.00 O ATOM 21 CB PRO A 11 -10.918 1.122 14.159 1.00 0.00 C ATOM 22 CG PRO A 11 -11.158 2.149 15.261 1.00 0.00 C ATOM 23 CD PRO A 11 -12.252 1.598 16.181 1.00 0.00 C ATOM 0 HA PRO A 11 -11.890 -0.819 13.850 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.854 1.032 13.941 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.408 1.428 13.234 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.241 2.329 15.822 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.463 3.104 14.834 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.929 1.582 17.222 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.156 2.206 16.137 1.00 0.00 H new ATOM 31 N VAL A 12 -10.036 -2.160 14.723 1.00 0.00 N ATOM 32 CA VAL A 12 -8.979 -3.026 15.323 1.00 0.00 C ATOM 33 C VAL A 12 -7.906 -3.315 14.272 1.00 0.00 C ATOM 34 O VAL A 12 -8.142 -3.168 13.091 1.00 0.00 O ATOM 35 CB VAL A 12 -9.609 -4.340 15.792 1.00 0.00 C ATOM 36 CG1 VAL A 12 -10.559 -4.063 16.959 1.00 0.00 C ATOM 37 CG2 VAL A 12 -10.391 -4.970 14.639 1.00 0.00 C ATOM 0 H VAL A 12 -10.435 -2.504 13.850 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.524 -2.518 16.174 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.824 -5.023 16.116 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.008 -4.999 17.293 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.003 -3.613 17.782 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.344 -3.380 16.635 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.840 -5.906 14.972 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.176 -4.286 14.315 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.716 -5.168 13.807 1.00 0.00 H new ATOM 47 N PRO A 13 -6.751 -3.718 14.737 1.00 0.00 N ATOM 48 CA PRO A 13 -5.584 -4.040 13.861 1.00 0.00 C ATOM 49 C PRO A 13 -5.755 -5.424 13.223 1.00 0.00 C ATOM 50 O PRO A 13 -5.483 -6.436 13.836 1.00 0.00 O ATOM 51 CB PRO A 13 -4.408 -4.020 14.830 1.00 0.00 C ATOM 52 CG PRO A 13 -4.971 -4.282 16.222 1.00 0.00 C ATOM 53 CD PRO A 13 -6.459 -3.908 16.193 1.00 0.00 C ATOM 0 HA PRO A 13 -5.460 -3.345 13.030 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.675 -4.780 14.562 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.897 -3.058 14.796 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.844 -5.329 16.497 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.441 -3.690 16.968 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.078 -4.694 16.626 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.654 -2.999 16.762 1.00 0.00 H new ATOM 61 N VAL A 14 -6.222 -5.461 11.997 1.00 0.00 N ATOM 62 CA VAL A 14 -6.436 -6.769 11.296 1.00 0.00 C ATOM 63 C VAL A 14 -5.366 -7.769 11.713 1.00 0.00 C ATOM 64 O VAL A 14 -4.186 -7.483 11.727 1.00 0.00 O ATOM 65 CB VAL A 14 -6.372 -6.559 9.775 1.00 0.00 C ATOM 66 CG1 VAL A 14 -5.034 -5.914 9.411 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.495 -7.882 9.004 1.00 0.00 C ATOM 0 H VAL A 14 -6.466 -4.636 11.448 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.416 -7.158 11.570 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.209 -5.919 9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.984 -5.763 8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.944 -4.952 9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.219 -6.566 9.724 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.445 -7.685 7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.680 -8.547 9.289 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.448 -8.354 9.242 1.00 0.00 H new ATOM 77 N ASP A 15 -5.793 -8.938 12.054 1.00 0.00 N ATOM 78 CA ASP A 15 -4.839 -10.000 12.486 1.00 0.00 C ATOM 79 C ASP A 15 -3.880 -10.327 11.340 1.00 0.00 C ATOM 80 O ASP A 15 -4.293 -10.564 10.221 1.00 0.00 O ATOM 81 CB ASP A 15 -5.617 -11.266 12.874 1.00 0.00 C ATOM 82 CG ASP A 15 -6.827 -11.425 11.952 1.00 0.00 C ATOM 83 OD1 ASP A 15 -6.639 -11.380 10.747 1.00 0.00 O ATOM 84 OD2 ASP A 15 -7.921 -11.589 12.466 1.00 0.00 O ATOM 0 H ASP A 15 -6.774 -9.216 12.055 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.271 -9.644 13.345 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.971 -12.140 12.797 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.944 -11.201 13.912 1.00 0.00 H new ATOM 89 N GLU A 16 -2.604 -10.348 11.608 1.00 0.00 N ATOM 90 CA GLU A 16 -1.623 -10.666 10.534 1.00 0.00 C ATOM 91 C GLU A 16 -1.381 -12.177 10.495 1.00 0.00 C ATOM 92 O GLU A 16 -0.629 -12.673 9.680 1.00 0.00 O ATOM 93 CB GLU A 16 -0.304 -9.940 10.815 1.00 0.00 C ATOM 94 CG GLU A 16 0.169 -10.275 12.232 1.00 0.00 C ATOM 95 CD GLU A 16 1.686 -10.090 12.321 1.00 0.00 C ATOM 96 OE1 GLU A 16 2.133 -8.964 12.189 1.00 0.00 O ATOM 97 OE2 GLU A 16 2.372 -11.079 12.522 1.00 0.00 O ATOM 0 H GLU A 16 -2.198 -10.159 12.525 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.017 -10.338 9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.451 -10.239 10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.439 -8.864 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.330 -9.630 12.955 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.098 -11.302 12.483 1.00 0.00 H new ATOM 104 N ASN A 17 -2.009 -12.917 11.372 1.00 0.00 N ATOM 105 CA ASN A 17 -1.812 -14.388 11.382 1.00 0.00 C ATOM 106 C ASN A 17 -2.570 -15.014 10.209 1.00 0.00 C ATOM 107 O ASN A 17 -2.427 -16.187 9.922 1.00 0.00 O ATOM 108 CB ASN A 17 -2.351 -14.946 12.697 1.00 0.00 C ATOM 109 CG ASN A 17 -1.858 -14.082 13.859 1.00 0.00 C ATOM 110 OD1 ASN A 17 -2.605 -13.781 14.768 1.00 0.00 O ATOM 111 ND2 ASN A 17 -0.619 -13.668 13.868 1.00 0.00 N ATOM 0 H ASN A 17 -2.650 -12.561 12.081 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.752 -14.622 11.287 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.441 -14.961 12.678 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.020 -15.976 12.830 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.279 -13.092 14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.009 -13.921 13.105 1.00 0.00 H new ATOM 118 N ASP A 18 -3.377 -14.244 9.529 1.00 0.00 N ATOM 119 CA ASP A 18 -4.140 -14.802 8.378 1.00 0.00 C ATOM 120 C ASP A 18 -3.494 -14.346 7.068 1.00 0.00 C ATOM 121 O ASP A 18 -3.218 -13.179 6.875 1.00 0.00 O ATOM 122 CB ASP A 18 -5.585 -14.303 8.431 1.00 0.00 C ATOM 123 CG ASP A 18 -6.398 -14.969 7.319 1.00 0.00 C ATOM 124 OD1 ASP A 18 -6.338 -16.183 7.215 1.00 0.00 O ATOM 125 OD2 ASP A 18 -7.066 -14.255 6.590 1.00 0.00 O ATOM 0 H ASP A 18 -3.540 -13.256 9.721 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.129 -15.891 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.024 -14.531 9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.611 -13.219 8.315 1.00 0.00 H new ATOM 130 N GLU A 19 -3.252 -15.257 6.169 1.00 0.00 N ATOM 131 CA GLU A 19 -2.622 -14.874 4.871 1.00 0.00 C ATOM 132 C GLU A 19 -3.708 -14.339 3.915 1.00 0.00 C ATOM 133 O GLU A 19 -3.436 -14.005 2.779 1.00 0.00 O ATOM 134 CB GLU A 19 -1.915 -16.116 4.285 1.00 0.00 C ATOM 135 CG GLU A 19 -1.965 -16.110 2.757 1.00 0.00 C ATOM 136 CD GLU A 19 -1.124 -14.952 2.217 1.00 0.00 C ATOM 137 OE1 GLU A 19 -0.555 -14.235 3.022 1.00 0.00 O ATOM 138 OE2 GLU A 19 -1.061 -14.804 1.007 1.00 0.00 O ATOM 0 H GLU A 19 -3.462 -16.250 6.274 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.883 -14.085 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.877 -16.138 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.390 -17.021 4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.590 -17.057 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.996 -16.012 2.418 1.00 0.00 H new ATOM 145 N GLY A 20 -4.933 -14.243 4.367 1.00 0.00 N ATOM 146 CA GLY A 20 -6.015 -13.725 3.482 1.00 0.00 C ATOM 147 C GLY A 20 -5.822 -12.225 3.260 1.00 0.00 C ATOM 148 O GLY A 20 -5.996 -11.721 2.167 1.00 0.00 O ATOM 0 H GLY A 20 -5.228 -14.501 5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.999 -14.249 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.989 -13.914 3.933 1.00 0.00 H new ATOM 152 N LEU A 21 -5.465 -11.504 4.285 1.00 0.00 N ATOM 153 CA LEU A 21 -5.261 -10.036 4.132 1.00 0.00 C ATOM 154 C LEU A 21 -4.027 -9.782 3.262 1.00 0.00 C ATOM 155 O LEU A 21 -3.864 -8.717 2.699 1.00 0.00 O ATOM 156 CB LEU A 21 -5.057 -9.414 5.513 1.00 0.00 C ATOM 157 CG LEU A 21 -4.604 -7.962 5.362 1.00 0.00 C ATOM 158 CD1 LEU A 21 -5.782 -7.104 4.895 1.00 0.00 C ATOM 159 CD2 LEU A 21 -4.098 -7.452 6.711 1.00 0.00 C ATOM 0 H LEU A 21 -5.305 -11.868 5.224 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.133 -9.588 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.985 -9.458 6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.312 -9.981 6.072 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.803 -7.901 4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.458 -6.069 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.143 -7.473 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.585 -7.158 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.773 -6.416 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.900 -7.511 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.259 -8.065 7.040 1.00 0.00 H new ATOM 171 N GLN A 22 -3.154 -10.747 3.144 1.00 0.00 N ATOM 172 CA GLN A 22 -1.946 -10.558 2.315 1.00 0.00 C ATOM 173 C GLN A 22 -2.352 -10.347 0.857 1.00 0.00 C ATOM 174 O GLN A 22 -1.554 -9.949 0.031 1.00 0.00 O ATOM 175 CB GLN A 22 -1.038 -11.778 2.454 1.00 0.00 C ATOM 176 CG GLN A 22 0.384 -11.371 2.103 1.00 0.00 C ATOM 177 CD GLN A 22 1.370 -12.374 2.704 1.00 0.00 C ATOM 178 OE1 GLN A 22 1.172 -12.856 3.801 1.00 0.00 O ATOM 179 NE2 GLN A 22 2.433 -12.712 2.026 1.00 0.00 N ATOM 0 H GLN A 22 -3.233 -11.660 3.592 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.400 -9.677 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.080 -12.166 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.376 -12.577 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.505 -11.332 1.020 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.591 -10.371 2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.600 -12.308 1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.096 -13.380 2.418 1.00 0.00 H new ATOM 188 N ARG A 23 -3.592 -10.600 0.534 1.00 0.00 N ATOM 189 CA ARG A 23 -4.049 -10.399 -0.869 1.00 0.00 C ATOM 190 C ARG A 23 -4.428 -8.929 -1.053 1.00 0.00 C ATOM 191 O ARG A 23 -4.090 -8.308 -2.040 1.00 0.00 O ATOM 192 CB ARG A 23 -5.265 -11.287 -1.147 1.00 0.00 C ATOM 193 CG ARG A 23 -5.692 -11.123 -2.607 1.00 0.00 C ATOM 194 CD ARG A 23 -5.078 -12.247 -3.445 1.00 0.00 C ATOM 195 NE ARG A 23 -5.675 -12.234 -4.811 1.00 0.00 N ATOM 196 CZ ARG A 23 -4.937 -12.520 -5.847 1.00 0.00 C ATOM 197 NH1 ARG A 23 -4.803 -13.761 -6.230 1.00 0.00 N ATOM 198 NH2 ARG A 23 -4.332 -11.568 -6.501 1.00 0.00 N ATOM 0 H ARG A 23 -4.306 -10.936 1.180 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.252 -10.666 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.022 -12.330 -0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.086 -11.016 -0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.779 -11.149 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.368 -10.154 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.997 -12.119 -3.508 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.258 -13.210 -2.968 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.660 -12.001 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.276 -14.506 -5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.226 -13.985 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.436 -10.598 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.755 -11.793 -7.311 1.00 0.00 H new ATOM 212 N ALA A 24 -5.123 -8.368 -0.100 1.00 0.00 N ATOM 213 CA ALA A 24 -5.520 -6.941 -0.203 1.00 0.00 C ATOM 214 C ALA A 24 -4.263 -6.071 -0.258 1.00 0.00 C ATOM 215 O ALA A 24 -4.304 -4.927 -0.668 1.00 0.00 O ATOM 216 CB ALA A 24 -6.355 -6.555 1.019 1.00 0.00 C ATOM 0 H ALA A 24 -5.433 -8.842 0.748 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.110 -6.789 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.647 -5.507 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.248 -7.178 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.766 -6.704 1.924 1.00 0.00 H new ATOM 222 N LEU A 25 -3.143 -6.604 0.152 1.00 0.00 N ATOM 223 CA LEU A 25 -1.889 -5.825 0.125 1.00 0.00 C ATOM 224 C LEU A 25 -1.425 -5.682 -1.329 1.00 0.00 C ATOM 225 O LEU A 25 -0.946 -4.643 -1.736 1.00 0.00 O ATOM 226 CB LEU A 25 -0.855 -6.572 0.980 1.00 0.00 C ATOM 227 CG LEU A 25 0.569 -6.240 0.544 1.00 0.00 C ATOM 228 CD1 LEU A 25 0.885 -7.066 -0.700 1.00 0.00 C ATOM 229 CD2 LEU A 25 0.701 -4.745 0.232 1.00 0.00 C ATOM 0 H LEU A 25 -3.051 -7.556 0.507 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.027 -4.823 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.988 -6.307 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.021 -7.646 0.899 1.00 0.00 H new ATOM 0 HG LEU A 25 1.269 -6.477 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.899 -6.848 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.801 -8.127 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.180 -6.814 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.723 -4.527 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.014 -4.479 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.460 -4.165 1.123 1.00 0.00 H new ATOM 241 N GLN A 26 -1.585 -6.709 -2.121 1.00 0.00 N ATOM 242 CA GLN A 26 -1.166 -6.610 -3.555 1.00 0.00 C ATOM 243 C GLN A 26 -1.981 -5.489 -4.202 1.00 0.00 C ATOM 244 O GLN A 26 -1.454 -4.640 -4.896 1.00 0.00 O ATOM 245 CB GLN A 26 -1.459 -7.945 -4.283 1.00 0.00 C ATOM 246 CG GLN A 26 -0.298 -8.950 -4.117 1.00 0.00 C ATOM 247 CD GLN A 26 0.391 -9.190 -5.474 1.00 0.00 C ATOM 248 OE1 GLN A 26 0.953 -10.245 -5.691 1.00 0.00 O ATOM 249 NE2 GLN A 26 0.374 -8.263 -6.404 1.00 0.00 N ATOM 0 H GLN A 26 -1.984 -7.606 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.098 -6.402 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.377 -8.381 -3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.626 -7.753 -5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.424 -8.567 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.676 -9.892 -3.720 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.096 -7.374 -6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.830 -8.432 -7.300 1.00 0.00 H new ATOM 258 N PHE A 27 -3.260 -5.479 -3.958 1.00 0.00 N ATOM 259 CA PHE A 27 -4.137 -4.408 -4.532 1.00 0.00 C ATOM 260 C PHE A 27 -3.418 -3.078 -4.430 1.00 0.00 C ATOM 261 O PHE A 27 -3.365 -2.309 -5.367 1.00 0.00 O ATOM 262 CB PHE A 27 -5.434 -4.292 -3.738 1.00 0.00 C ATOM 263 CG PHE A 27 -6.608 -4.108 -4.673 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.415 -3.553 -5.946 1.00 0.00 C ATOM 265 CD2 PHE A 27 -7.896 -4.466 -4.257 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.509 -3.357 -6.795 1.00 0.00 C ATOM 267 CE2 PHE A 27 -8.989 -4.274 -5.110 1.00 0.00 C ATOM 268 CZ PHE A 27 -8.794 -3.717 -6.380 1.00 0.00 C ATOM 0 H PHE A 27 -3.744 -6.168 -3.383 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.360 -4.663 -5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.579 -5.187 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.373 -3.449 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.423 -3.277 -6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.047 -4.891 -3.276 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.360 -2.926 -7.774 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.981 -4.555 -4.789 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.636 -3.566 -7.039 1.00 0.00 H new ATOM 278 N ALA A 28 -2.879 -2.805 -3.282 1.00 0.00 N ATOM 279 CA ALA A 28 -2.171 -1.516 -3.075 1.00 0.00 C ATOM 280 C ALA A 28 -0.940 -1.434 -3.980 1.00 0.00 C ATOM 281 O ALA A 28 -0.726 -0.456 -4.667 1.00 0.00 O ATOM 282 CB ALA A 28 -1.745 -1.419 -1.613 1.00 0.00 C ATOM 0 H ALA A 28 -2.898 -3.423 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.838 -0.691 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.224 -0.476 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.627 -1.463 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.080 -2.248 -1.372 1.00 0.00 H new ATOM 288 N MET A 29 -0.122 -2.450 -3.983 1.00 0.00 N ATOM 289 CA MET A 29 1.099 -2.423 -4.837 1.00 0.00 C ATOM 290 C MET A 29 0.736 -2.003 -6.264 1.00 0.00 C ATOM 291 O MET A 29 1.444 -1.241 -6.892 1.00 0.00 O ATOM 292 CB MET A 29 1.734 -3.815 -4.858 1.00 0.00 C ATOM 293 CG MET A 29 3.224 -3.699 -4.524 1.00 0.00 C ATOM 294 SD MET A 29 3.421 -3.293 -2.770 1.00 0.00 S ATOM 295 CE MET A 29 4.430 -1.807 -2.990 1.00 0.00 C ATOM 0 H MET A 29 -0.246 -3.298 -3.431 1.00 0.00 H new ATOM 0 HA MET A 29 1.806 -1.702 -4.426 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.238 -4.464 -4.137 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.604 -4.271 -5.839 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.732 -4.636 -4.750 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.687 -2.928 -5.141 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.717 -1.414 -2.015 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.326 -2.056 -3.558 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.856 -1.054 -3.530 1.00 0.00 H new ATOM 305 N ALA A 30 -0.356 -2.493 -6.788 1.00 0.00 N ATOM 306 CA ALA A 30 -0.746 -2.116 -8.179 1.00 0.00 C ATOM 307 C ALA A 30 -1.130 -0.635 -8.225 1.00 0.00 C ATOM 308 O ALA A 30 -0.610 0.116 -9.023 1.00 0.00 O ATOM 309 CB ALA A 30 -1.934 -2.971 -8.626 1.00 0.00 C ATOM 0 H ALA A 30 -0.993 -3.135 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 30 0.096 -2.288 -8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.219 -2.696 -9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.654 -4.024 -8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.776 -2.803 -7.955 1.00 0.00 H new ATOM 315 N GLU A 31 -2.024 -0.195 -7.381 1.00 0.00 N ATOM 316 CA GLU A 31 -2.392 1.251 -7.406 1.00 0.00 C ATOM 317 C GLU A 31 -1.099 2.057 -7.424 1.00 0.00 C ATOM 318 O GLU A 31 -1.045 3.166 -7.912 1.00 0.00 O ATOM 319 CB GLU A 31 -3.216 1.615 -6.166 1.00 0.00 C ATOM 320 CG GLU A 31 -4.158 0.462 -5.797 1.00 0.00 C ATOM 321 CD GLU A 31 -4.715 -0.193 -7.067 1.00 0.00 C ATOM 322 OE1 GLU A 31 -4.924 0.520 -8.033 1.00 0.00 O ATOM 323 OE2 GLU A 31 -4.918 -1.394 -7.050 1.00 0.00 O ATOM 0 H GLU A 31 -2.509 -0.763 -6.686 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.995 1.470 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.551 1.833 -5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.794 2.519 -6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.623 -0.278 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.977 0.834 -5.182 1.00 0.00 H new ATOM 330 N TYR A 32 -0.053 1.488 -6.903 1.00 0.00 N ATOM 331 CA TYR A 32 1.259 2.203 -6.905 1.00 0.00 C ATOM 332 C TYR A 32 1.911 2.064 -8.287 1.00 0.00 C ATOM 333 O TYR A 32 2.493 2.996 -8.803 1.00 0.00 O ATOM 334 CB TYR A 32 2.196 1.615 -5.844 1.00 0.00 C ATOM 335 CG TYR A 32 3.356 2.567 -5.631 1.00 0.00 C ATOM 336 CD1 TYR A 32 3.140 3.817 -5.038 1.00 0.00 C ATOM 337 CD2 TYR A 32 4.650 2.201 -6.031 1.00 0.00 C ATOM 338 CE1 TYR A 32 4.211 4.698 -4.845 1.00 0.00 C ATOM 339 CE2 TYR A 32 5.720 3.082 -5.839 1.00 0.00 C ATOM 340 CZ TYR A 32 5.500 4.331 -5.246 1.00 0.00 C ATOM 341 OH TYR A 32 6.556 5.200 -5.056 1.00 0.00 O ATOM 0 H TYR A 32 -0.044 0.562 -6.476 1.00 0.00 H new ATOM 0 HA TYR A 32 1.084 3.254 -6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.657 1.462 -4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.563 0.640 -6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.145 4.102 -4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.821 1.237 -6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.042 5.661 -4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.715 2.799 -6.148 1.00 0.00 H new ATOM 0 HH TYR A 32 7.159 4.838 -4.374 1.00 0.00 H new ATOM 351 N ASN A 33 1.831 0.902 -8.889 1.00 0.00 N ATOM 352 CA ASN A 33 2.463 0.718 -10.235 1.00 0.00 C ATOM 353 C ASN A 33 1.922 1.767 -11.214 1.00 0.00 C ATOM 354 O ASN A 33 2.623 2.207 -12.105 1.00 0.00 O ATOM 355 CB ASN A 33 2.222 -0.708 -10.801 1.00 0.00 C ATOM 356 CG ASN A 33 0.708 -0.980 -11.020 1.00 0.00 C ATOM 357 OD1 ASN A 33 -0.048 -0.065 -11.259 1.00 0.00 O ATOM 358 ND2 ASN A 33 0.227 -2.208 -10.975 1.00 0.00 N ATOM 0 H ASN A 33 1.360 0.080 -8.512 1.00 0.00 H new ATOM 0 HA ASN A 33 3.539 0.847 -10.114 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.754 -0.822 -11.745 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.631 -1.448 -10.114 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.766 -2.373 -11.140 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.848 -2.992 -10.775 1.00 0.00 H new ATOM 365 N ARG A 34 0.684 2.166 -11.076 1.00 0.00 N ATOM 366 CA ARG A 34 0.115 3.161 -11.999 1.00 0.00 C ATOM 367 C ARG A 34 0.382 4.580 -11.482 1.00 0.00 C ATOM 368 O ARG A 34 0.457 5.523 -12.246 1.00 0.00 O ATOM 369 CB ARG A 34 -1.381 2.908 -12.067 1.00 0.00 C ATOM 370 CG ARG A 34 -1.953 2.849 -10.652 1.00 0.00 C ATOM 371 CD ARG A 34 -3.183 3.757 -10.556 1.00 0.00 C ATOM 372 NE ARG A 34 -4.302 3.014 -9.910 1.00 0.00 N ATOM 373 CZ ARG A 34 -5.278 3.664 -9.337 1.00 0.00 C ATOM 374 NH1 ARG A 34 -5.856 4.657 -9.956 1.00 0.00 N ATOM 375 NH2 ARG A 34 -5.678 3.320 -8.143 1.00 0.00 N ATOM 0 H ARG A 34 0.046 1.835 -10.352 1.00 0.00 H new ATOM 0 HA ARG A 34 0.570 3.072 -12.985 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.869 3.700 -12.635 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.579 1.972 -12.590 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.225 1.824 -10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.199 3.164 -9.931 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.944 4.650 -9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.480 4.090 -11.550 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.305 1.994 -9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.545 4.926 -10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.619 5.164 -9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.228 2.544 -7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.441 3.828 -7.695 1.00 0.00 H new ATOM 389 N ALA A 35 0.523 4.744 -10.192 1.00 0.00 N ATOM 390 CA ALA A 35 0.782 6.101 -9.633 1.00 0.00 C ATOM 391 C ALA A 35 2.237 6.506 -9.908 1.00 0.00 C ATOM 392 O ALA A 35 2.599 7.659 -9.781 1.00 0.00 O ATOM 393 CB ALA A 35 0.536 6.085 -8.121 1.00 0.00 C ATOM 0 H ALA A 35 0.470 3.995 -9.502 1.00 0.00 H new ATOM 0 HA ALA A 35 0.112 6.819 -10.106 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.725 7.077 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.498 5.802 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.205 5.365 -7.651 1.00 0.00 H new ATOM 399 N SER A 36 3.080 5.573 -10.281 1.00 0.00 N ATOM 400 CA SER A 36 4.499 5.927 -10.558 1.00 0.00 C ATOM 401 C SER A 36 4.618 6.508 -11.965 1.00 0.00 C ATOM 402 O SER A 36 5.687 6.870 -12.411 1.00 0.00 O ATOM 403 CB SER A 36 5.390 4.682 -10.399 1.00 0.00 C ATOM 404 OG SER A 36 4.629 3.519 -10.685 1.00 0.00 O ATOM 0 H SER A 36 2.844 4.588 -10.404 1.00 0.00 H new ATOM 0 HA SER A 36 4.834 6.679 -9.844 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.245 4.745 -11.072 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.785 4.631 -9.384 1.00 0.00 H new ATOM 0 HG SER A 36 5.195 2.725 -10.586 1.00 0.00 H new ATOM 410 N ASN A 37 3.519 6.602 -12.663 1.00 0.00 N ATOM 411 CA ASN A 37 3.553 7.164 -14.045 1.00 0.00 C ATOM 412 C ASN A 37 4.747 6.582 -14.807 1.00 0.00 C ATOM 413 O ASN A 37 4.659 5.529 -15.408 1.00 0.00 O ATOM 414 CB ASN A 37 3.681 8.688 -13.971 1.00 0.00 C ATOM 415 CG ASN A 37 4.056 9.240 -15.349 1.00 0.00 C ATOM 416 OD1 ASN A 37 4.838 10.164 -15.455 1.00 0.00 O ATOM 417 ND2 ASN A 37 3.524 8.708 -16.416 1.00 0.00 N ATOM 0 H ASN A 37 2.597 6.313 -12.336 1.00 0.00 H new ATOM 0 HA ASN A 37 2.633 6.903 -14.567 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.741 9.126 -13.636 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.440 8.964 -13.239 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.765 9.068 -17.340 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.868 7.932 -16.326 1.00 0.00 H new ATOM 424 N ASP A 38 5.863 7.258 -14.786 1.00 0.00 N ATOM 425 CA ASP A 38 7.057 6.757 -15.496 1.00 0.00 C ATOM 426 C ASP A 38 7.384 5.341 -15.033 1.00 0.00 C ATOM 427 O ASP A 38 6.582 4.674 -14.410 1.00 0.00 O ATOM 428 CB ASP A 38 8.219 7.695 -15.192 1.00 0.00 C ATOM 429 CG ASP A 38 8.645 7.551 -13.730 1.00 0.00 C ATOM 430 OD1 ASP A 38 8.016 6.786 -13.018 1.00 0.00 O ATOM 431 OD2 ASP A 38 9.595 8.214 -13.346 1.00 0.00 O ATOM 0 H ASP A 38 5.992 8.145 -14.300 1.00 0.00 H new ATOM 0 HA ASP A 38 6.873 6.728 -16.570 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.060 7.468 -15.847 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.926 8.726 -15.393 1.00 0.00 H new ATOM 436 N LYS A 39 8.556 4.878 -15.340 1.00 0.00 N ATOM 437 CA LYS A 39 8.954 3.505 -14.932 1.00 0.00 C ATOM 438 C LYS A 39 10.221 3.597 -14.100 1.00 0.00 C ATOM 439 O LYS A 39 11.098 2.777 -14.237 1.00 0.00 O ATOM 440 CB LYS A 39 9.268 2.665 -16.172 1.00 0.00 C ATOM 441 CG LYS A 39 9.639 3.577 -17.342 1.00 0.00 C ATOM 442 CD LYS A 39 9.898 2.729 -18.586 1.00 0.00 C ATOM 443 CE LYS A 39 9.069 3.272 -19.749 1.00 0.00 C ATOM 444 NZ LYS A 39 8.035 2.272 -20.127 1.00 0.00 N ATOM 0 H LYS A 39 9.264 5.395 -15.861 1.00 0.00 H new ATOM 0 HA LYS A 39 8.142 3.047 -14.367 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.089 1.981 -15.959 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.404 2.054 -16.436 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.834 4.286 -17.534 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.526 4.160 -17.095 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.958 2.749 -18.839 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.636 1.689 -18.392 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.595 4.212 -19.465 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.714 3.485 -20.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.469 2.640 -20.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.498 1.386 -20.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.414 2.090 -19.313 1.00 0.00 H new ATOM 458 N TYR A 40 10.359 4.608 -13.280 1.00 0.00 N ATOM 459 CA TYR A 40 11.612 4.744 -12.499 1.00 0.00 C ATOM 460 C TYR A 40 11.503 5.986 -11.600 1.00 0.00 C ATOM 461 O TYR A 40 10.678 6.844 -11.832 1.00 0.00 O ATOM 462 CB TYR A 40 12.755 4.969 -13.512 1.00 0.00 C ATOM 463 CG TYR A 40 13.425 3.645 -13.991 1.00 0.00 C ATOM 464 CD1 TYR A 40 13.750 2.621 -13.069 1.00 0.00 C ATOM 465 CD2 TYR A 40 13.750 3.438 -15.361 1.00 0.00 C ATOM 466 CE1 TYR A 40 14.368 1.442 -13.498 1.00 0.00 C ATOM 467 CE2 TYR A 40 14.369 2.250 -15.770 1.00 0.00 C ATOM 468 CZ TYR A 40 14.675 1.257 -14.841 1.00 0.00 C ATOM 469 OH TYR A 40 15.286 0.091 -15.255 1.00 0.00 O ATOM 0 H TYR A 40 9.662 5.336 -13.122 1.00 0.00 H new ATOM 0 HA TYR A 40 11.792 3.861 -11.886 1.00 0.00 H new ATOM 0 HB2 TYR A 40 12.364 5.504 -14.378 1.00 0.00 H new ATOM 0 HB3 TYR A 40 13.513 5.608 -13.058 1.00 0.00 H new ATOM 0 HD1 TYR A 40 13.518 2.752 -12.022 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.518 4.201 -16.089 1.00 0.00 H new ATOM 0 HE1 TYR A 40 14.608 0.671 -12.781 1.00 0.00 H new ATOM 0 HE2 TYR A 40 14.611 2.102 -16.812 1.00 0.00 H new ATOM 0 HH TYR A 40 15.429 0.123 -16.224 1.00 0.00 H new ATOM 479 N SER A 41 12.336 6.097 -10.584 1.00 0.00 N ATOM 480 CA SER A 41 12.298 7.293 -9.688 1.00 0.00 C ATOM 481 C SER A 41 11.307 7.109 -8.569 1.00 0.00 C ATOM 482 O SER A 41 11.376 7.751 -7.554 1.00 0.00 O ATOM 483 CB SER A 41 11.947 8.560 -10.472 1.00 0.00 C ATOM 484 OG SER A 41 12.361 8.423 -11.823 1.00 0.00 O ATOM 0 H SER A 41 13.043 5.403 -10.341 1.00 0.00 H new ATOM 0 HA SER A 41 13.295 7.402 -9.262 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.873 8.739 -10.428 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.433 9.424 -10.020 1.00 0.00 H new ATOM 0 HG SER A 41 11.609 8.104 -12.365 1.00 0.00 H new ATOM 490 N SER A 42 10.406 6.244 -8.753 1.00 0.00 N ATOM 491 CA SER A 42 9.378 5.994 -7.697 1.00 0.00 C ATOM 492 C SER A 42 9.704 4.680 -6.959 1.00 0.00 C ATOM 493 O SER A 42 10.246 3.765 -7.548 1.00 0.00 O ATOM 494 CB SER A 42 7.994 5.878 -8.345 1.00 0.00 C ATOM 495 OG SER A 42 7.968 6.626 -9.551 1.00 0.00 O ATOM 0 H SER A 42 10.311 5.674 -9.594 1.00 0.00 H new ATOM 0 HA SER A 42 9.382 6.822 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.763 4.832 -8.549 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.229 6.246 -7.661 1.00 0.00 H new ATOM 0 HG SER A 42 7.039 6.819 -9.796 1.00 0.00 H new ATOM 501 N ARG A 43 9.370 4.550 -5.688 1.00 0.00 N ATOM 502 CA ARG A 43 9.669 3.262 -4.983 1.00 0.00 C ATOM 503 C ARG A 43 9.041 3.267 -3.589 1.00 0.00 C ATOM 504 O ARG A 43 8.553 4.274 -3.117 1.00 0.00 O ATOM 505 CB ARG A 43 11.169 3.047 -4.849 1.00 0.00 C ATOM 506 CG ARG A 43 11.457 1.548 -4.782 1.00 0.00 C ATOM 507 CD ARG A 43 12.082 1.211 -3.427 1.00 0.00 C ATOM 508 NE ARG A 43 11.627 -0.139 -2.994 1.00 0.00 N ATOM 509 CZ ARG A 43 12.503 -1.084 -2.780 1.00 0.00 C ATOM 510 NH1 ARG A 43 12.962 -1.785 -3.781 1.00 0.00 N ATOM 511 NH2 ARG A 43 12.918 -1.328 -1.569 1.00 0.00 N ATOM 0 H ARG A 43 8.913 5.266 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 43 9.247 2.452 -5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.690 3.492 -5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.541 3.541 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.535 0.983 -4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.132 1.260 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.169 1.234 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.796 1.958 -2.686 1.00 0.00 H new ATOM 0 HE ARG A 43 10.633 -0.326 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.637 -1.594 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.646 -2.523 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.559 -0.781 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.602 -2.066 -1.403 1.00 0.00 H new ATOM 525 N VAL A 44 9.048 2.139 -2.928 1.00 0.00 N ATOM 526 CA VAL A 44 8.448 2.062 -1.566 1.00 0.00 C ATOM 527 C VAL A 44 9.537 1.732 -0.536 1.00 0.00 C ATOM 528 O VAL A 44 10.616 1.289 -0.874 1.00 0.00 O ATOM 529 CB VAL A 44 7.370 0.960 -1.547 1.00 0.00 C ATOM 530 CG1 VAL A 44 8.035 -0.415 -1.431 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.443 1.176 -0.349 1.00 0.00 C ATOM 0 H VAL A 44 9.445 1.266 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 44 7.997 3.022 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 44 6.794 1.006 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.269 -1.190 -1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.696 -0.573 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.614 -0.462 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.680 0.398 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.023 1.133 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.964 2.152 -0.431 1.00 0.00 H new ATOM 541 N VAL A 45 9.248 1.931 0.721 1.00 0.00 N ATOM 542 CA VAL A 45 10.247 1.615 1.781 1.00 0.00 C ATOM 543 C VAL A 45 9.684 0.506 2.667 1.00 0.00 C ATOM 544 O VAL A 45 10.262 -0.554 2.800 1.00 0.00 O ATOM 545 CB VAL A 45 10.509 2.860 2.634 1.00 0.00 C ATOM 546 CG1 VAL A 45 11.859 2.719 3.339 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.533 4.103 1.743 1.00 0.00 C ATOM 0 H VAL A 45 8.360 2.300 1.061 1.00 0.00 H new ATOM 0 HA VAL A 45 11.182 1.293 1.322 1.00 0.00 H new ATOM 0 HB VAL A 45 9.715 2.961 3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.047 3.604 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.845 1.837 3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.649 2.615 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.720 4.986 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.324 4.003 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.572 4.208 1.239 1.00 0.00 H new ATOM 557 N ARG A 46 8.553 0.744 3.267 1.00 0.00 N ATOM 558 CA ARG A 46 7.934 -0.289 4.144 1.00 0.00 C ATOM 559 C ARG A 46 6.528 0.169 4.530 1.00 0.00 C ATOM 560 O ARG A 46 6.090 1.239 4.156 1.00 0.00 O ATOM 561 CB ARG A 46 8.781 -0.461 5.405 1.00 0.00 C ATOM 562 CG ARG A 46 8.735 0.825 6.233 1.00 0.00 C ATOM 563 CD ARG A 46 10.083 1.032 6.929 1.00 0.00 C ATOM 564 NE ARG A 46 10.086 2.350 7.624 1.00 0.00 N ATOM 565 CZ ARG A 46 9.761 2.424 8.885 1.00 0.00 C ATOM 566 NH1 ARG A 46 9.091 1.454 9.444 1.00 0.00 N ATOM 567 NH2 ARG A 46 10.105 3.468 9.589 1.00 0.00 N ATOM 0 H ARG A 46 8.027 1.614 3.188 1.00 0.00 H new ATOM 0 HA ARG A 46 7.880 -1.241 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.408 -1.299 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.811 -0.695 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.511 1.676 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.937 0.766 6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.261 0.230 7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.891 0.992 6.199 1.00 0.00 H new ATOM 0 HE ARG A 46 10.342 3.195 7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.821 0.638 8.895 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.837 1.512 10.430 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.629 4.227 9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.850 3.525 10.575 1.00 0.00 H new ATOM 581 N VAL A 47 5.821 -0.622 5.285 1.00 0.00 N ATOM 582 CA VAL A 47 4.449 -0.211 5.701 1.00 0.00 C ATOM 583 C VAL A 47 4.545 0.434 7.088 1.00 0.00 C ATOM 584 O VAL A 47 5.359 0.049 7.904 1.00 0.00 O ATOM 585 CB VAL A 47 3.520 -1.447 5.717 1.00 0.00 C ATOM 586 CG1 VAL A 47 2.521 -1.373 6.879 1.00 0.00 C ATOM 587 CG2 VAL A 47 2.739 -1.499 4.399 1.00 0.00 C ATOM 0 H VAL A 47 6.129 -1.530 5.631 1.00 0.00 H new ATOM 0 HA VAL A 47 4.028 0.510 5.000 1.00 0.00 H new ATOM 0 HB VAL A 47 4.134 -2.339 5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.881 -2.255 6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.064 -1.333 7.823 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.908 -0.478 6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.081 -2.368 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.143 -0.592 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.437 -1.574 3.565 1.00 0.00 H new ATOM 597 N ILE A 48 3.729 1.414 7.358 1.00 0.00 N ATOM 598 CA ILE A 48 3.793 2.079 8.693 1.00 0.00 C ATOM 599 C ILE A 48 2.832 1.381 9.652 1.00 0.00 C ATOM 600 O ILE A 48 2.985 1.453 10.855 1.00 0.00 O ATOM 601 CB ILE A 48 3.388 3.545 8.552 1.00 0.00 C ATOM 602 CG1 ILE A 48 4.331 4.247 7.572 1.00 0.00 C ATOM 603 CG2 ILE A 48 3.468 4.229 9.919 1.00 0.00 C ATOM 604 CD1 ILE A 48 3.935 5.720 7.453 1.00 0.00 C ATOM 0 H ILE A 48 3.025 1.783 6.719 1.00 0.00 H new ATOM 0 HA ILE A 48 4.810 2.017 9.082 1.00 0.00 H new ATOM 0 HB ILE A 48 2.367 3.604 8.175 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.361 4.163 7.918 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.282 3.766 6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.179 5.275 9.820 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.793 3.731 10.615 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.489 4.169 10.297 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.606 6.222 6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.911 5.793 7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.006 6.196 8.431 1.00 0.00 H new ATOM 616 N SER A 49 1.854 0.702 9.121 1.00 0.00 N ATOM 617 CA SER A 49 0.864 -0.023 9.975 1.00 0.00 C ATOM 618 C SER A 49 -0.426 -0.196 9.182 1.00 0.00 C ATOM 619 O SER A 49 -0.599 0.381 8.127 1.00 0.00 O ATOM 620 CB SER A 49 0.559 0.751 11.272 1.00 0.00 C ATOM 621 OG SER A 49 -0.555 0.155 11.917 1.00 0.00 O ATOM 0 H SER A 49 1.694 0.616 8.117 1.00 0.00 H new ATOM 0 HA SER A 49 1.287 -0.989 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.427 0.737 11.931 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.348 1.796 11.045 1.00 0.00 H new ATOM 0 HG SER A 49 -0.655 0.535 12.815 1.00 0.00 H new ATOM 627 N ALA A 50 -1.332 -0.986 9.676 1.00 0.00 N ATOM 628 CA ALA A 50 -2.605 -1.193 8.940 1.00 0.00 C ATOM 629 C ALA A 50 -3.745 -1.395 9.934 1.00 0.00 C ATOM 630 O ALA A 50 -3.650 -2.184 10.855 1.00 0.00 O ATOM 631 CB ALA A 50 -2.481 -2.433 8.053 1.00 0.00 C ATOM 0 H ALA A 50 -1.247 -1.496 10.555 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.813 -0.319 8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.414 -2.588 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.668 -2.291 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.273 -3.305 8.673 1.00 0.00 H new ATOM 637 N LYS A 51 -4.832 -0.703 9.746 1.00 0.00 N ATOM 638 CA LYS A 51 -5.989 -0.877 10.671 1.00 0.00 C ATOM 639 C LYS A 51 -7.215 -1.232 9.838 1.00 0.00 C ATOM 640 O LYS A 51 -7.243 -1.008 8.648 1.00 0.00 O ATOM 641 CB LYS A 51 -6.242 0.415 11.465 1.00 0.00 C ATOM 642 CG LYS A 51 -5.095 0.631 12.452 1.00 0.00 C ATOM 643 CD LYS A 51 -4.282 1.857 12.031 1.00 0.00 C ATOM 644 CE LYS A 51 -3.879 2.653 13.275 1.00 0.00 C ATOM 645 NZ LYS A 51 -2.416 2.492 13.514 1.00 0.00 N ATOM 0 H LYS A 51 -4.971 -0.026 8.996 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.777 -1.672 11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.318 1.264 10.786 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.190 0.348 11.999 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.489 0.771 13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.455 -0.251 12.480 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.394 1.546 11.481 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.869 2.483 11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.123 3.707 13.141 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.441 2.304 14.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.141 3.032 14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.197 1.486 13.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.889 2.845 12.690 1.00 0.00 H new ATOM 659 N ARG A 52 -8.222 -1.802 10.432 1.00 0.00 N ATOM 660 CA ARG A 52 -9.414 -2.171 9.630 1.00 0.00 C ATOM 661 C ARG A 52 -10.683 -1.739 10.349 1.00 0.00 C ATOM 662 O ARG A 52 -10.812 -1.859 11.552 1.00 0.00 O ATOM 663 CB ARG A 52 -9.445 -3.692 9.422 1.00 0.00 C ATOM 664 CG ARG A 52 -9.391 -4.392 10.781 1.00 0.00 C ATOM 665 CD ARG A 52 -9.864 -5.840 10.625 1.00 0.00 C ATOM 666 NE ARG A 52 -9.889 -6.502 11.960 1.00 0.00 N ATOM 667 CZ ARG A 52 -10.483 -7.655 12.107 1.00 0.00 C ATOM 668 NH1 ARG A 52 -11.780 -7.707 12.255 1.00 0.00 N ATOM 669 NH2 ARG A 52 -9.784 -8.754 12.108 1.00 0.00 N ATOM 0 H ARG A 52 -8.271 -2.026 11.426 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.358 -1.668 8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.351 -3.979 8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.601 -4.003 8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.375 -4.370 11.174 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.022 -3.867 11.498 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.858 -5.863 10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.199 -6.380 9.952 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.442 -6.054 12.760 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.328 -6.847 12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.244 -8.608 12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.771 -8.714 11.994 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.249 -9.654 12.223 1.00 0.00 H new ATOM 683 N GLN A 53 -11.623 -1.248 9.604 1.00 0.00 N ATOM 684 CA GLN A 53 -12.912 -0.811 10.206 1.00 0.00 C ATOM 685 C GLN A 53 -14.043 -1.619 9.571 1.00 0.00 C ATOM 686 O GLN A 53 -13.892 -2.168 8.497 1.00 0.00 O ATOM 687 CB GLN A 53 -13.128 0.678 9.936 1.00 0.00 C ATOM 688 CG GLN A 53 -12.503 1.494 11.069 1.00 0.00 C ATOM 689 CD GLN A 53 -12.060 2.858 10.534 1.00 0.00 C ATOM 690 OE1 GLN A 53 -10.887 3.084 10.312 1.00 0.00 O ATOM 691 NE2 GLN A 53 -12.956 3.781 10.320 1.00 0.00 N ATOM 0 H GLN A 53 -11.557 -1.128 8.593 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.895 -0.975 11.283 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.679 0.955 8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -14.194 0.895 9.861 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.223 1.625 11.877 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.649 0.961 11.487 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.940 3.589 10.507 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.673 4.695 9.966 1.00 0.00 H new ATOM 700 N LEU A 54 -15.174 -1.704 10.215 1.00 0.00 N ATOM 701 CA LEU A 54 -16.292 -2.486 9.621 1.00 0.00 C ATOM 702 C LEU A 54 -17.548 -1.601 9.518 1.00 0.00 C ATOM 703 O LEU A 54 -17.830 -0.819 10.405 1.00 0.00 O ATOM 704 CB LEU A 54 -16.593 -3.697 10.509 1.00 0.00 C ATOM 705 CG LEU A 54 -17.309 -3.238 11.783 1.00 0.00 C ATOM 706 CD1 LEU A 54 -18.819 -3.217 11.537 1.00 0.00 C ATOM 707 CD2 LEU A 54 -16.989 -4.207 12.924 1.00 0.00 C ATOM 0 H LEU A 54 -15.371 -1.271 11.117 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.007 -2.824 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -17.214 -4.411 9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.667 -4.211 10.766 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.971 -2.237 12.052 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -19.331 -2.891 12.442 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.046 -2.528 10.724 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -19.158 -4.218 11.269 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -17.498 -3.882 13.831 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.328 -5.208 12.657 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.913 -4.222 13.097 1.00 0.00 H new ATOM 719 N VAL A 55 -18.313 -1.718 8.454 1.00 0.00 N ATOM 720 CA VAL A 55 -19.537 -0.898 8.307 1.00 0.00 C ATOM 721 C VAL A 55 -20.340 -1.579 7.209 1.00 0.00 C ATOM 722 O VAL A 55 -20.386 -1.081 6.103 1.00 0.00 O ATOM 723 CB VAL A 55 -19.160 0.513 7.851 1.00 0.00 C ATOM 724 CG1 VAL A 55 -18.394 1.229 8.964 1.00 0.00 C ATOM 725 CG2 VAL A 55 -18.281 0.420 6.603 1.00 0.00 C ATOM 0 H VAL A 55 -18.130 -2.356 7.680 1.00 0.00 H new ATOM 0 HA VAL A 55 -20.091 -0.817 9.242 1.00 0.00 H new ATOM 0 HB VAL A 55 -20.065 1.075 7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.128 2.233 8.635 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -19.020 1.293 9.854 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.487 0.672 9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -18.009 1.423 6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.377 -0.143 6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -18.829 -0.087 5.809 1.00 0.00 H new ATOM 735 N SER A 56 -20.903 -2.752 7.476 1.00 0.00 N ATOM 736 CA SER A 56 -21.629 -3.508 6.418 1.00 0.00 C ATOM 737 C SER A 56 -20.623 -4.474 5.796 1.00 0.00 C ATOM 738 O SER A 56 -20.914 -5.624 5.536 1.00 0.00 O ATOM 739 CB SER A 56 -22.147 -2.554 5.363 1.00 0.00 C ATOM 740 OG SER A 56 -23.306 -3.093 4.745 1.00 0.00 O ATOM 0 H SER A 56 -20.882 -3.206 8.389 1.00 0.00 H new ATOM 0 HA SER A 56 -22.481 -4.044 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.382 -1.591 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 56 -21.376 -2.374 4.614 1.00 0.00 H new ATOM 0 HG SER A 56 -23.635 -2.468 4.065 1.00 0.00 H new ATOM 746 N GLY A 57 -19.420 -4.005 5.595 1.00 0.00 N ATOM 747 CA GLY A 57 -18.344 -4.857 5.033 1.00 0.00 C ATOM 748 C GLY A 57 -17.052 -4.494 5.786 1.00 0.00 C ATOM 749 O GLY A 57 -17.116 -4.018 6.906 1.00 0.00 O ATOM 0 H GLY A 57 -19.137 -3.047 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -18.581 -5.913 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.231 -4.681 3.963 1.00 0.00 H new ATOM 753 N ILE A 58 -15.886 -4.683 5.210 1.00 0.00 N ATOM 754 CA ILE A 58 -14.648 -4.312 5.959 1.00 0.00 C ATOM 755 C ILE A 58 -13.838 -3.280 5.165 1.00 0.00 C ATOM 756 O ILE A 58 -13.998 -3.129 3.971 1.00 0.00 O ATOM 757 CB ILE A 58 -13.774 -5.552 6.210 1.00 0.00 C ATOM 758 CG1 ILE A 58 -14.596 -6.830 6.006 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.244 -5.518 7.646 1.00 0.00 C ATOM 760 CD1 ILE A 58 -13.651 -8.035 5.936 1.00 0.00 C ATOM 0 H ILE A 58 -15.742 -5.069 4.277 1.00 0.00 H new ATOM 0 HA ILE A 58 -14.947 -3.885 6.916 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.942 -5.547 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.304 -6.956 6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -15.180 -6.758 5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.624 -6.396 7.826 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.648 -4.617 7.793 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.082 -5.516 8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.232 -8.945 5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.961 -7.908 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.087 -8.109 6.866 1.00 0.00 H new ATOM 772 N LYS A 59 -12.963 -2.577 5.834 1.00 0.00 N ATOM 773 CA LYS A 59 -12.119 -1.555 5.146 1.00 0.00 C ATOM 774 C LYS A 59 -10.712 -1.609 5.751 1.00 0.00 C ATOM 775 O LYS A 59 -10.550 -1.866 6.928 1.00 0.00 O ATOM 776 CB LYS A 59 -12.717 -0.160 5.360 1.00 0.00 C ATOM 777 CG LYS A 59 -11.835 0.884 4.675 1.00 0.00 C ATOM 778 CD LYS A 59 -12.111 2.262 5.280 1.00 0.00 C ATOM 779 CE LYS A 59 -13.224 2.954 4.489 1.00 0.00 C ATOM 780 NZ LYS A 59 -14.395 3.184 5.381 1.00 0.00 N ATOM 0 H LYS A 59 -12.795 -2.668 6.836 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.079 -1.760 4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.728 -0.120 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.793 0.055 6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.784 0.625 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.036 0.899 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.403 2.160 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.205 2.868 5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.865 3.903 4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.516 2.339 3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.152 3.654 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.741 2.272 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.110 3.787 6.179 1.00 0.00 H new ATOM 794 N TYR A 60 -9.691 -1.381 4.971 1.00 0.00 N ATOM 795 CA TYR A 60 -8.316 -1.443 5.538 1.00 0.00 C ATOM 796 C TYR A 60 -7.587 -0.121 5.291 1.00 0.00 C ATOM 797 O TYR A 60 -7.224 0.205 4.181 1.00 0.00 O ATOM 798 CB TYR A 60 -7.539 -2.583 4.877 1.00 0.00 C ATOM 799 CG TYR A 60 -8.240 -3.896 5.131 1.00 0.00 C ATOM 800 CD1 TYR A 60 -8.893 -4.121 6.349 1.00 0.00 C ATOM 801 CD2 TYR A 60 -8.233 -4.893 4.148 1.00 0.00 C ATOM 802 CE1 TYR A 60 -9.540 -5.342 6.583 1.00 0.00 C ATOM 803 CE2 TYR A 60 -8.880 -6.113 4.381 1.00 0.00 C ATOM 804 CZ TYR A 60 -9.532 -6.337 5.600 1.00 0.00 C ATOM 805 OH TYR A 60 -10.169 -7.540 5.830 1.00 0.00 O ATOM 0 H TYR A 60 -9.748 -1.157 3.978 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.383 -1.620 6.611 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.457 -2.406 3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.524 -2.620 5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.898 -3.353 7.109 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.728 -4.721 3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -10.045 -5.515 7.522 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.876 -6.881 3.621 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.069 -8.119 5.045 1.00 0.00 H new ATOM 815 N ILE A 61 -7.355 0.636 6.323 1.00 0.00 N ATOM 816 CA ILE A 61 -6.637 1.928 6.156 1.00 0.00 C ATOM 817 C ILE A 61 -5.146 1.695 6.407 1.00 0.00 C ATOM 818 O ILE A 61 -4.735 1.358 7.502 1.00 0.00 O ATOM 819 CB ILE A 61 -7.183 2.949 7.166 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.404 2.263 8.518 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.513 3.522 6.665 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.757 3.316 9.569 1.00 0.00 C ATOM 0 H ILE A 61 -7.633 0.415 7.279 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.785 2.313 5.147 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.462 3.759 7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.206 1.529 8.439 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.505 1.723 8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.893 4.245 7.387 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.358 4.015 5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.235 2.714 6.546 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.915 2.830 10.532 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.941 4.033 9.654 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.668 3.836 9.271 1.00 0.00 H new ATOM 834 N LEU A 62 -4.334 1.841 5.392 1.00 0.00 N ATOM 835 CA LEU A 62 -2.888 1.600 5.554 1.00 0.00 C ATOM 836 C LEU A 62 -2.124 2.932 5.420 1.00 0.00 C ATOM 837 O LEU A 62 -2.585 3.865 4.790 1.00 0.00 O ATOM 838 CB LEU A 62 -2.479 0.594 4.458 1.00 0.00 C ATOM 839 CG LEU A 62 -1.434 1.180 3.537 1.00 0.00 C ATOM 840 CD1 LEU A 62 -0.076 1.032 4.222 1.00 0.00 C ATOM 841 CD2 LEU A 62 -1.458 0.414 2.224 1.00 0.00 C ATOM 0 H LEU A 62 -4.623 2.119 4.454 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.650 1.193 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.091 -0.313 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.357 0.307 3.879 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.627 2.233 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.702 1.447 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.087 1.567 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.127 -0.024 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.708 0.826 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.239 -0.637 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.444 0.503 1.769 1.00 0.00 H new ATOM 853 N GLN A 63 -0.945 3.005 5.979 1.00 0.00 N ATOM 854 CA GLN A 63 -0.121 4.248 5.866 1.00 0.00 C ATOM 855 C GLN A 63 1.264 3.845 5.346 1.00 0.00 C ATOM 856 O GLN A 63 2.125 3.448 6.099 1.00 0.00 O ATOM 857 CB GLN A 63 0.003 4.906 7.245 1.00 0.00 C ATOM 858 CG GLN A 63 -1.301 4.708 8.019 1.00 0.00 C ATOM 859 CD GLN A 63 -1.459 5.836 9.041 1.00 0.00 C ATOM 860 OE1 GLN A 63 -1.347 5.613 10.230 1.00 0.00 O ATOM 861 NE2 GLN A 63 -1.718 7.046 8.625 1.00 0.00 N ATOM 0 H GLN A 63 -0.513 2.251 6.514 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.585 4.961 5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.836 4.469 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.216 5.969 7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.148 4.703 7.332 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.294 3.742 8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.812 7.233 7.627 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.826 7.805 9.298 1.00 0.00 H new ATOM 870 N VAL A 64 1.462 3.899 4.054 1.00 0.00 N ATOM 871 CA VAL A 64 2.757 3.470 3.463 1.00 0.00 C ATOM 872 C VAL A 64 3.774 4.622 3.426 1.00 0.00 C ATOM 873 O VAL A 64 3.420 5.779 3.455 1.00 0.00 O ATOM 874 CB VAL A 64 2.465 3.021 2.024 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.212 2.151 1.995 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.247 4.245 1.134 1.00 0.00 C ATOM 0 H VAL A 64 0.771 4.226 3.379 1.00 0.00 H new ATOM 0 HA VAL A 64 3.185 2.671 4.067 1.00 0.00 H new ATOM 0 HB VAL A 64 3.315 2.447 1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.011 1.836 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.365 1.272 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.364 2.722 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.040 3.921 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.402 4.822 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.143 4.866 1.143 1.00 0.00 H new ATOM 886 N GLU A 65 5.038 4.304 3.318 1.00 0.00 N ATOM 887 CA GLU A 65 6.081 5.355 3.217 1.00 0.00 C ATOM 888 C GLU A 65 6.834 5.105 1.907 1.00 0.00 C ATOM 889 O GLU A 65 7.612 4.178 1.805 1.00 0.00 O ATOM 890 CB GLU A 65 7.042 5.241 4.401 1.00 0.00 C ATOM 891 CG GLU A 65 8.136 6.304 4.279 1.00 0.00 C ATOM 892 CD GLU A 65 8.819 6.488 5.636 1.00 0.00 C ATOM 893 OE1 GLU A 65 8.171 6.985 6.542 1.00 0.00 O ATOM 894 OE2 GLU A 65 9.979 6.126 5.747 1.00 0.00 O ATOM 0 H GLU A 65 5.391 3.347 3.296 1.00 0.00 H new ATOM 0 HA GLU A 65 5.641 6.352 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.499 5.370 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.488 4.247 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.868 6.004 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.706 7.248 3.945 1.00 0.00 H new ATOM 901 N ILE A 66 6.584 5.885 0.888 1.00 0.00 N ATOM 902 CA ILE A 66 7.270 5.627 -0.411 1.00 0.00 C ATOM 903 C ILE A 66 8.301 6.718 -0.710 1.00 0.00 C ATOM 904 O ILE A 66 8.137 7.861 -0.334 1.00 0.00 O ATOM 905 CB ILE A 66 6.238 5.579 -1.546 1.00 0.00 C ATOM 906 CG1 ILE A 66 5.207 6.708 -1.368 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.538 4.216 -1.544 1.00 0.00 C ATOM 908 CD1 ILE A 66 4.087 6.264 -0.419 1.00 0.00 C ATOM 0 H ILE A 66 5.944 6.679 0.898 1.00 0.00 H new ATOM 0 HA ILE A 66 7.784 4.669 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 66 6.745 5.718 -2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.697 7.597 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.786 6.980 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.805 4.182 -2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.276 3.428 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.034 4.067 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.366 7.073 -0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.586 5.388 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.512 6.015 0.553 1.00 0.00 H new ATOM 920 N GLY A 67 9.361 6.372 -1.399 1.00 0.00 N ATOM 921 CA GLY A 67 10.398 7.383 -1.734 1.00 0.00 C ATOM 922 C GLY A 67 10.817 7.221 -3.203 1.00 0.00 C ATOM 923 O GLY A 67 10.299 6.375 -3.920 1.00 0.00 O ATOM 0 H GLY A 67 9.548 5.430 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.010 8.387 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.263 7.261 -1.083 1.00 0.00 H new ATOM 927 N ARG A 68 11.736 8.035 -3.667 1.00 0.00 N ATOM 928 CA ARG A 68 12.168 7.930 -5.089 1.00 0.00 C ATOM 929 C ARG A 68 13.367 6.965 -5.189 1.00 0.00 C ATOM 930 O ARG A 68 14.161 6.891 -4.274 1.00 0.00 O ATOM 931 CB ARG A 68 12.578 9.324 -5.589 1.00 0.00 C ATOM 932 CG ARG A 68 13.328 9.213 -6.922 1.00 0.00 C ATOM 933 CD ARG A 68 14.727 9.816 -6.781 1.00 0.00 C ATOM 934 NE ARG A 68 15.366 9.888 -8.125 1.00 0.00 N ATOM 935 CZ ARG A 68 16.655 10.073 -8.227 1.00 0.00 C ATOM 936 NH1 ARG A 68 17.227 11.054 -7.585 1.00 0.00 N ATOM 937 NH2 ARG A 68 17.370 9.275 -8.972 1.00 0.00 N ATOM 0 H ARG A 68 12.201 8.762 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 68 11.350 7.548 -5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.693 9.948 -5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.211 9.812 -4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.401 8.168 -7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.775 9.732 -7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.665 10.811 -6.341 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.332 9.208 -6.109 1.00 0.00 H new ATOM 0 HE ARG A 68 14.797 9.793 -8.966 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.668 11.677 -7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.234 11.198 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.922 8.508 -9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.377 9.418 -9.053 1.00 0.00 H new ATOM 951 N THR A 69 13.527 6.222 -6.276 1.00 0.00 N ATOM 952 CA THR A 69 14.704 5.290 -6.337 1.00 0.00 C ATOM 953 C THR A 69 15.038 4.871 -7.785 1.00 0.00 C ATOM 954 O THR A 69 14.461 5.354 -8.751 1.00 0.00 O ATOM 955 CB THR A 69 14.396 4.005 -5.562 1.00 0.00 C ATOM 956 OG1 THR A 69 13.633 3.138 -6.384 1.00 0.00 O ATOM 957 CG2 THR A 69 13.615 4.322 -4.296 1.00 0.00 C ATOM 0 H THR A 69 12.915 6.223 -7.092 1.00 0.00 H new ATOM 0 HA THR A 69 15.548 5.829 -5.907 1.00 0.00 H new ATOM 0 HB THR A 69 15.334 3.525 -5.283 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.039 2.246 -6.384 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.404 3.398 -3.757 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.203 4.986 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.677 4.810 -4.560 1.00 0.00 H new ATOM 965 N THR A 70 15.965 3.933 -7.919 1.00 0.00 N ATOM 966 CA THR A 70 16.365 3.421 -9.265 1.00 0.00 C ATOM 967 C THR A 70 15.571 2.146 -9.583 1.00 0.00 C ATOM 968 O THR A 70 16.064 1.257 -10.250 1.00 0.00 O ATOM 969 CB THR A 70 17.856 3.083 -9.242 1.00 0.00 C ATOM 970 OG1 THR A 70 18.073 1.962 -8.396 1.00 0.00 O ATOM 971 CG2 THR A 70 18.646 4.282 -8.716 1.00 0.00 C ATOM 0 H THR A 70 16.460 3.503 -7.138 1.00 0.00 H new ATOM 0 HA THR A 70 16.162 4.178 -10.022 1.00 0.00 H new ATOM 0 HB THR A 70 18.190 2.847 -10.252 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.028 1.743 -8.381 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.708 4.039 -8.700 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.480 5.141 -9.366 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.314 4.522 -7.706 1.00 0.00 H new ATOM 1123 N GLU A 82 17.570 1.278 -5.134 1.00 0.00 N ATOM 1124 CA GLU A 82 17.917 2.070 -3.915 1.00 0.00 C ATOM 1125 C GLU A 82 17.463 3.528 -4.096 1.00 0.00 C ATOM 1126 O GLU A 82 17.316 4.008 -5.211 1.00 0.00 O ATOM 1127 CB GLU A 82 19.442 2.034 -3.706 1.00 0.00 C ATOM 1128 CG GLU A 82 19.880 0.614 -3.341 1.00 0.00 C ATOM 1129 CD GLU A 82 20.190 -0.169 -4.619 1.00 0.00 C ATOM 1130 OE1 GLU A 82 20.157 0.433 -5.681 1.00 0.00 O ATOM 1131 OE2 GLU A 82 20.455 -1.355 -4.516 1.00 0.00 O ATOM 0 HA GLU A 82 17.414 1.641 -3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 82 19.951 2.360 -4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 82 19.727 2.727 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.761 0.647 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.093 0.113 -2.777 1.00 0.00 H new ATOM 1138 N PHE A 83 17.260 4.238 -3.005 1.00 0.00 N ATOM 1139 CA PHE A 83 16.841 5.682 -3.104 1.00 0.00 C ATOM 1140 C PHE A 83 18.099 6.537 -3.280 1.00 0.00 C ATOM 1141 O PHE A 83 18.285 7.523 -2.596 1.00 0.00 O ATOM 1142 CB PHE A 83 16.106 6.175 -1.829 1.00 0.00 C ATOM 1143 CG PHE A 83 14.921 5.278 -1.491 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.122 3.965 -1.041 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.608 5.769 -1.630 1.00 0.00 C ATOM 1146 CE1 PHE A 83 14.027 3.151 -0.734 1.00 0.00 C ATOM 1147 CE2 PHE A 83 12.518 4.950 -1.322 1.00 0.00 C ATOM 1148 CZ PHE A 83 12.727 3.642 -0.875 1.00 0.00 C ATOM 0 H PHE A 83 17.365 3.883 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 83 16.157 5.772 -3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.802 6.194 -0.990 1.00 0.00 H new ATOM 0 HB3 PHE A 83 15.760 7.198 -1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.126 3.581 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.443 6.779 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 83 14.187 2.141 -0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.512 5.328 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.883 3.011 -0.639 1.00 0.00 H new ATOM 1158 N HIS A 84 18.969 6.156 -4.178 1.00 0.00 N ATOM 1159 CA HIS A 84 20.224 6.930 -4.389 1.00 0.00 C ATOM 1160 C HIS A 84 21.230 6.539 -3.298 1.00 0.00 C ATOM 1161 O HIS A 84 21.046 5.558 -2.607 1.00 0.00 O ATOM 1162 CB HIS A 84 19.923 8.430 -4.315 1.00 0.00 C ATOM 1163 CG HIS A 84 20.967 9.198 -5.078 1.00 0.00 C ATOM 1164 ND1 HIS A 84 21.574 8.692 -6.217 1.00 0.00 N ATOM 1165 CD2 HIS A 84 21.525 10.435 -4.875 1.00 0.00 C ATOM 1166 CE1 HIS A 84 22.454 9.612 -6.651 1.00 0.00 C ATOM 1167 NE2 HIS A 84 22.465 10.694 -5.868 1.00 0.00 N ATOM 0 H HIS A 84 18.862 5.337 -4.777 1.00 0.00 H new ATOM 0 HA HIS A 84 20.642 6.707 -5.371 1.00 0.00 H new ATOM 0 HB2 HIS A 84 18.935 8.633 -4.728 1.00 0.00 H new ATOM 0 HB3 HIS A 84 19.906 8.756 -3.275 1.00 0.00 H new ATOM 0 HD2 HIS A 84 21.273 11.106 -4.067 1.00 0.00 H new ATOM 0 HE1 HIS A 84 23.076 9.491 -7.526 1.00 0.00 H new ATOM 0 HE2 HIS A 84 23.039 11.530 -5.975 1.00 0.00 H new ATOM 1258 N LYS A 91 14.389 13.215 -0.104 1.00 0.00 N ATOM 1259 CA LYS A 91 13.478 12.715 -1.169 1.00 0.00 C ATOM 1260 C LYS A 91 12.665 11.534 -0.634 1.00 0.00 C ATOM 1261 O LYS A 91 13.056 10.391 -0.756 1.00 0.00 O ATOM 1262 CB LYS A 91 14.303 12.265 -2.376 1.00 0.00 C ATOM 1263 CG LYS A 91 14.760 13.496 -3.164 1.00 0.00 C ATOM 1264 CD LYS A 91 13.536 14.285 -3.630 1.00 0.00 C ATOM 1265 CE LYS A 91 13.323 15.488 -2.709 1.00 0.00 C ATOM 1266 NZ LYS A 91 14.023 16.677 -3.276 1.00 0.00 N ATOM 0 HA LYS A 91 12.800 13.513 -1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.167 11.689 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.709 11.611 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.396 14.125 -2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.358 13.190 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.676 14.621 -4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.653 13.646 -3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.258 15.695 -2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.705 15.269 -1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.879 17.495 -2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.040 16.476 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.638 16.889 -4.219 1.00 0.00 H new ATOM 1280 N TYR A 92 11.526 11.806 -0.065 1.00 0.00 N ATOM 1281 CA TYR A 92 10.666 10.702 0.464 1.00 0.00 C ATOM 1282 C TYR A 92 9.207 11.171 0.457 1.00 0.00 C ATOM 1283 O TYR A 92 8.922 12.315 0.171 1.00 0.00 O ATOM 1284 CB TYR A 92 11.081 10.305 1.895 1.00 0.00 C ATOM 1285 CG TYR A 92 12.367 9.471 1.834 1.00 0.00 C ATOM 1286 CD1 TYR A 92 13.628 10.092 1.707 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.305 8.069 1.901 1.00 0.00 C ATOM 1288 CE1 TYR A 92 14.791 9.316 1.648 1.00 0.00 C ATOM 1289 CE2 TYR A 92 13.474 7.301 1.843 1.00 0.00 C ATOM 1290 CZ TYR A 92 14.715 7.925 1.718 1.00 0.00 C ATOM 1291 OH TYR A 92 15.867 7.165 1.662 1.00 0.00 O ATOM 0 H TYR A 92 11.149 12.746 0.059 1.00 0.00 H new ATOM 0 HA TYR A 92 10.787 9.825 -0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.240 11.197 2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.285 9.733 2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.696 11.169 1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.347 7.580 1.998 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.753 9.797 1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.415 6.224 1.895 1.00 0.00 H new ATOM 0 HH TYR A 92 15.635 6.215 1.725 1.00 0.00 H new ATOM 1301 N THR A 93 8.278 10.302 0.755 1.00 0.00 N ATOM 1302 CA THR A 93 6.848 10.725 0.746 1.00 0.00 C ATOM 1303 C THR A 93 5.983 9.690 1.470 1.00 0.00 C ATOM 1304 O THR A 93 6.349 8.539 1.609 1.00 0.00 O ATOM 1305 CB THR A 93 6.368 10.857 -0.701 1.00 0.00 C ATOM 1306 OG1 THR A 93 7.341 10.298 -1.574 1.00 0.00 O ATOM 1307 CG2 THR A 93 6.161 12.335 -1.043 1.00 0.00 C ATOM 0 H THR A 93 8.445 9.327 1.002 1.00 0.00 H new ATOM 0 HA THR A 93 6.760 11.683 1.258 1.00 0.00 H new ATOM 0 HB THR A 93 5.424 10.325 -0.819 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.546 9.382 -1.292 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.819 12.425 -2.074 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.414 12.762 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.103 12.871 -0.925 1.00 0.00 H new ATOM 1315 N THR A 94 4.829 10.099 1.928 1.00 0.00 N ATOM 1316 CA THR A 94 3.924 9.156 2.644 1.00 0.00 C ATOM 1317 C THR A 94 2.623 8.996 1.843 1.00 0.00 C ATOM 1318 O THR A 94 2.212 9.895 1.136 1.00 0.00 O ATOM 1319 CB THR A 94 3.617 9.727 4.038 1.00 0.00 C ATOM 1320 OG1 THR A 94 3.131 8.687 4.876 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.561 10.831 3.929 1.00 0.00 C ATOM 0 H THR A 94 4.474 11.051 1.836 1.00 0.00 H new ATOM 0 HA THR A 94 4.400 8.181 2.747 1.00 0.00 H new ATOM 0 HB THR A 94 4.529 10.146 4.464 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.260 7.823 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.349 11.231 4.921 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.934 11.630 3.288 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.647 10.419 3.500 1.00 0.00 H new ATOM 1329 N CYS A 95 1.958 7.870 1.952 1.00 0.00 N ATOM 1330 CA CYS A 95 0.683 7.686 1.202 1.00 0.00 C ATOM 1331 C CYS A 95 -0.229 6.799 2.035 1.00 0.00 C ATOM 1332 O CYS A 95 0.227 6.022 2.842 1.00 0.00 O ATOM 1333 CB CYS A 95 0.949 7.022 -0.155 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.629 6.570 -0.926 1.00 0.00 S ATOM 0 H CYS A 95 2.244 7.077 2.526 1.00 0.00 H new ATOM 0 HA CYS A 95 0.217 8.655 1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.501 7.703 -0.803 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.569 6.135 -0.023 1.00 0.00 H new ATOM 1339 N THR A 96 -1.506 6.919 1.875 1.00 0.00 N ATOM 1340 CA THR A 96 -2.424 6.073 2.700 1.00 0.00 C ATOM 1341 C THR A 96 -3.466 5.372 1.822 1.00 0.00 C ATOM 1342 O THR A 96 -4.036 5.955 0.926 1.00 0.00 O ATOM 1343 CB THR A 96 -3.140 6.962 3.723 1.00 0.00 C ATOM 1344 OG1 THR A 96 -2.199 7.432 4.679 1.00 0.00 O ATOM 1345 CG2 THR A 96 -4.232 6.158 4.429 1.00 0.00 C ATOM 0 H THR A 96 -1.961 7.555 1.220 1.00 0.00 H new ATOM 0 HA THR A 96 -1.832 5.310 3.207 1.00 0.00 H new ATOM 0 HB THR A 96 -3.594 7.811 3.212 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.654 8.002 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.739 6.793 5.156 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.953 5.800 3.694 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.783 5.307 4.941 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.710 4.114 2.080 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.714 3.359 1.253 1.00 0.00 C ATOM 1355 C PHE A 97 -5.985 3.070 2.058 1.00 0.00 C ATOM 1356 O PHE A 97 -5.971 3.035 3.270 1.00 0.00 O ATOM 1357 CB PHE A 97 -4.130 2.010 0.814 1.00 0.00 C ATOM 1358 CG PHE A 97 -2.851 2.213 0.040 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.786 2.934 0.593 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -2.741 1.679 -1.246 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.617 3.119 -0.145 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -1.568 1.861 -1.981 1.00 0.00 C ATOM 1363 CZ PHE A 97 -0.504 2.583 -1.430 1.00 0.00 C ATOM 0 H PHE A 97 -3.264 3.574 2.822 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.953 3.979 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.938 1.389 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.854 1.477 0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.869 3.346 1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.564 1.125 -1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.204 3.679 0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.482 1.445 -2.974 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.404 2.726 -1.997 1.00 0.00 H new ATOM 1373 N VAL A 98 -7.082 2.819 1.384 1.00 0.00 N ATOM 1374 CA VAL A 98 -8.338 2.477 2.103 1.00 0.00 C ATOM 1375 C VAL A 98 -9.006 1.341 1.320 1.00 0.00 C ATOM 1376 O VAL A 98 -9.810 1.563 0.439 1.00 0.00 O ATOM 1377 CB VAL A 98 -9.256 3.699 2.172 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.564 3.307 2.858 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.570 4.804 2.977 1.00 0.00 C ATOM 0 H VAL A 98 -7.156 2.838 0.367 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.132 2.167 3.127 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.465 4.059 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.222 4.175 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.051 2.516 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.353 2.951 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.222 5.676 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.365 4.445 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.633 5.079 2.492 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.633 0.123 1.614 1.00 0.00 N ATOM 1390 CA VAL A 99 -9.187 -1.043 0.868 1.00 0.00 C ATOM 1391 C VAL A 99 -10.624 -1.341 1.298 1.00 0.00 C ATOM 1392 O VAL A 99 -11.048 -1.000 2.384 1.00 0.00 O ATOM 1393 CB VAL A 99 -8.317 -2.270 1.149 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -8.678 -3.388 0.168 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -6.841 -1.897 0.977 1.00 0.00 C ATOM 0 H VAL A 99 -7.963 -0.115 2.345 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.188 -0.806 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.490 -2.613 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.058 -4.262 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -9.728 -3.653 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.505 -3.047 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.219 -2.770 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.669 -1.555 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.583 -1.101 1.675 1.00 0.00 H new ATOM 1405 N TYR A 100 -11.372 -1.996 0.451 1.00 0.00 N ATOM 1406 CA TYR A 100 -12.778 -2.345 0.805 1.00 0.00 C ATOM 1407 C TYR A 100 -12.985 -3.836 0.542 1.00 0.00 C ATOM 1408 O TYR A 100 -12.474 -4.374 -0.417 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.740 -1.527 -0.054 1.00 0.00 C ATOM 1410 CG TYR A 100 -15.145 -1.548 0.592 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -15.305 -1.348 1.981 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -16.300 -1.774 -0.196 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.581 -1.368 2.558 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -17.568 -1.792 0.396 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.708 -1.588 1.768 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.962 -1.604 2.344 1.00 0.00 O ATOM 0 H TYR A 100 -11.069 -2.305 -0.473 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.970 -2.122 1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.383 -0.501 -0.143 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.785 -1.938 -1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.438 -1.179 2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -16.202 -1.933 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -16.692 -1.212 3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.443 -1.965 -0.213 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.637 -1.769 1.653 1.00 0.00 H new ATOM 1426 N SER A 101 -13.717 -4.522 1.375 1.00 0.00 N ATOM 1427 CA SER A 101 -13.915 -5.982 1.130 1.00 0.00 C ATOM 1428 C SER A 101 -15.341 -6.391 1.497 1.00 0.00 C ATOM 1429 O SER A 101 -15.824 -6.112 2.572 1.00 0.00 O ATOM 1430 CB SER A 101 -12.916 -6.791 1.965 1.00 0.00 C ATOM 1431 OG SER A 101 -12.997 -8.161 1.600 1.00 0.00 O ATOM 0 H SER A 101 -14.181 -4.145 2.202 1.00 0.00 H new ATOM 0 HA SER A 101 -13.749 -6.185 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.904 -6.419 1.803 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.133 -6.673 3.027 1.00 0.00 H new ATOM 0 HG SER A 101 -12.358 -8.680 2.132 1.00 0.00 H new ATOM 1437 N ILE A 102 -16.018 -7.060 0.605 1.00 0.00 N ATOM 1438 CA ILE A 102 -17.416 -7.497 0.900 1.00 0.00 C ATOM 1439 C ILE A 102 -17.427 -9.035 1.028 1.00 0.00 C ATOM 1440 O ILE A 102 -17.009 -9.718 0.108 1.00 0.00 O ATOM 1441 CB ILE A 102 -18.352 -7.080 -0.255 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -17.639 -6.104 -1.199 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -19.604 -6.404 0.306 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -18.593 -5.687 -2.321 1.00 0.00 C ATOM 0 H ILE A 102 -15.666 -7.324 -0.315 1.00 0.00 H new ATOM 0 HA ILE A 102 -17.761 -7.032 1.824 1.00 0.00 H new ATOM 0 HB ILE A 102 -18.632 -7.976 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -17.305 -5.226 -0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -16.749 -6.573 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -20.259 -6.113 -0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -20.130 -7.099 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -19.316 -5.518 0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -18.085 -4.993 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -18.905 -6.569 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -19.469 -5.201 -1.892 1.00 0.00 H new ATOM 1456 N PRO A 103 -17.879 -9.549 2.161 1.00 0.00 N ATOM 1457 CA PRO A 103 -17.920 -11.024 2.411 1.00 0.00 C ATOM 1458 C PRO A 103 -19.113 -11.717 1.726 1.00 0.00 C ATOM 1459 O PRO A 103 -19.019 -12.880 1.381 1.00 0.00 O ATOM 1460 CB PRO A 103 -18.030 -11.119 3.928 1.00 0.00 C ATOM 1461 CG PRO A 103 -18.654 -9.817 4.408 1.00 0.00 C ATOM 1462 CD PRO A 103 -18.388 -8.755 3.334 1.00 0.00 C ATOM 0 HA PRO A 103 -17.045 -11.529 2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -18.644 -11.972 4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -17.048 -11.266 4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -19.725 -9.941 4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.223 -9.514 5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -19.295 -8.206 3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.654 -8.022 3.669 1.00 0.00 H new ATOM 1470 N TRP A 104 -20.238 -11.064 1.522 1.00 0.00 N ATOM 1471 CA TRP A 104 -21.361 -11.809 0.864 1.00 0.00 C ATOM 1472 C TRP A 104 -21.065 -12.013 -0.626 1.00 0.00 C ATOM 1473 O TRP A 104 -20.973 -13.131 -1.091 1.00 0.00 O ATOM 1474 CB TRP A 104 -22.730 -11.121 1.054 1.00 0.00 C ATOM 1475 CG TRP A 104 -22.673 -9.640 0.835 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -22.890 -9.017 -0.348 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -22.452 -8.586 1.814 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -22.796 -7.652 -0.160 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -22.527 -7.335 1.157 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -22.185 -8.593 3.193 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -22.351 -6.134 1.845 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -22.010 -7.390 3.891 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -22.091 -6.162 3.218 1.00 0.00 C ATOM 0 H TRP A 104 -20.422 -10.092 1.770 1.00 0.00 H new ATOM 0 HA TRP A 104 -21.427 -12.779 1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -23.450 -11.558 0.362 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -23.095 -11.321 2.062 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -23.102 -9.508 -1.286 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -22.911 -6.963 -0.903 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -22.114 -9.533 3.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -22.415 -5.192 1.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -21.812 -7.409 4.952 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -21.953 -5.238 3.761 1.00 0.00 H new ATOM 1494 N LEU A 105 -20.899 -10.964 -1.384 1.00 0.00 N ATOM 1495 CA LEU A 105 -20.590 -11.166 -2.831 1.00 0.00 C ATOM 1496 C LEU A 105 -19.280 -11.939 -2.922 1.00 0.00 C ATOM 1497 O LEU A 105 -19.050 -12.686 -3.850 1.00 0.00 O ATOM 1498 CB LEU A 105 -20.460 -9.836 -3.610 1.00 0.00 C ATOM 1499 CG LEU A 105 -21.839 -9.285 -4.053 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -21.934 -9.371 -5.562 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -23.018 -10.082 -3.468 1.00 0.00 C ATOM 0 H LEU A 105 -20.962 -9.994 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 105 -21.416 -11.713 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -19.958 -9.097 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -19.832 -9.990 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 105 -21.906 -8.260 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -22.900 -8.986 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -21.137 -8.778 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -21.833 -10.410 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -23.957 -9.649 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -22.954 -11.119 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -22.979 -10.043 -2.379 1.00 0.00 H new ATOM 1513 N ASN A 106 -18.423 -11.758 -1.951 1.00 0.00 N ATOM 1514 CA ASN A 106 -17.108 -12.474 -1.942 1.00 0.00 C ATOM 1515 C ASN A 106 -16.136 -11.743 -2.865 1.00 0.00 C ATOM 1516 O ASN A 106 -15.844 -12.198 -3.953 1.00 0.00 O ATOM 1517 CB ASN A 106 -17.263 -13.925 -2.432 1.00 0.00 C ATOM 1518 CG ASN A 106 -15.956 -14.678 -2.185 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -15.247 -15.010 -3.114 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -15.603 -14.961 -0.961 1.00 0.00 N ATOM 0 H ASN A 106 -18.578 -11.139 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 106 -16.731 -12.490 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -18.084 -14.414 -1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.510 -13.939 -3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.732 -15.461 -0.784 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.198 -14.682 -0.181 1.00 0.00 H new ATOM 1527 N GLN A 107 -15.627 -10.616 -2.448 1.00 0.00 N ATOM 1528 CA GLN A 107 -14.672 -9.883 -3.336 1.00 0.00 C ATOM 1529 C GLN A 107 -14.021 -8.715 -2.595 1.00 0.00 C ATOM 1530 O GLN A 107 -14.356 -8.409 -1.468 1.00 0.00 O ATOM 1531 CB GLN A 107 -15.405 -9.361 -4.569 1.00 0.00 C ATOM 1532 CG GLN A 107 -14.498 -9.491 -5.791 1.00 0.00 C ATOM 1533 CD GLN A 107 -14.697 -8.277 -6.703 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -15.481 -7.398 -6.401 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -14.016 -8.191 -7.813 1.00 0.00 N ATOM 0 H GLN A 107 -15.824 -10.175 -1.549 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.890 -10.578 -3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -16.325 -9.924 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -15.689 -8.319 -4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.456 -9.558 -5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.728 -10.408 -6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.358 -8.928 -8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.141 -7.386 -8.427 1.00 0.00 H new ATOM 1544 N ILE A 108 -13.086 -8.066 -3.234 1.00 0.00 N ATOM 1545 CA ILE A 108 -12.386 -6.916 -2.593 1.00 0.00 C ATOM 1546 C ILE A 108 -12.584 -5.657 -3.448 1.00 0.00 C ATOM 1547 O ILE A 108 -13.226 -5.694 -4.477 1.00 0.00 O ATOM 1548 CB ILE A 108 -10.891 -7.244 -2.478 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -10.239 -6.314 -1.453 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -10.211 -7.063 -3.839 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -9.380 -7.138 -0.492 1.00 0.00 C ATOM 0 H ILE A 108 -12.775 -8.285 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 108 -12.795 -6.737 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 108 -10.776 -8.279 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.625 -5.570 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.005 -5.771 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.150 -7.297 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.670 -7.732 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.328 -6.031 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.915 -6.476 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.007 -7.865 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.605 -7.660 -1.053 1.00 0.00 H new ATOM 1563 N LYS A 109 -12.032 -4.546 -3.033 1.00 0.00 N ATOM 1564 CA LYS A 109 -12.189 -3.296 -3.832 1.00 0.00 C ATOM 1565 C LYS A 109 -11.077 -2.304 -3.480 1.00 0.00 C ATOM 1566 O LYS A 109 -10.437 -2.399 -2.446 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.548 -2.658 -3.545 1.00 0.00 C ATOM 1568 CG LYS A 109 -14.124 -2.085 -4.842 1.00 0.00 C ATOM 1569 CD LYS A 109 -15.291 -2.953 -5.313 1.00 0.00 C ATOM 1570 CE LYS A 109 -15.993 -2.266 -6.486 1.00 0.00 C ATOM 1571 NZ LYS A 109 -16.600 -0.985 -6.022 1.00 0.00 N ATOM 0 H LYS A 109 -11.482 -4.451 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.125 -3.548 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.229 -3.399 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.442 -1.868 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.461 -1.061 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.351 -2.049 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.929 -3.935 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.995 -3.111 -4.496 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.280 -2.073 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.764 -2.919 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.407 -0.743 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.927 -1.091 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.890 -0.227 -6.070 1.00 0.00 H new ATOM 1585 N LEU A 110 -10.866 -1.339 -4.339 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.822 -0.312 -4.112 1.00 0.00 C ATOM 1587 C LEU A 110 -10.529 1.020 -3.835 1.00 0.00 C ATOM 1588 O LEU A 110 -10.627 1.884 -4.682 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.939 -0.199 -5.369 1.00 0.00 C ATOM 1590 CG LEU A 110 -8.103 1.091 -5.342 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -7.238 1.111 -4.081 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -7.206 1.132 -6.581 1.00 0.00 C ATOM 0 H LEU A 110 -11.390 -1.224 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.187 -0.579 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.278 -1.063 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.566 -0.211 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.763 1.958 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.645 2.025 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.879 1.075 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.573 0.247 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.610 2.045 -6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.544 0.266 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.824 1.115 -7.479 1.00 0.00 H new ATOM 1604 N LEU A 111 -11.055 1.169 -2.659 1.00 0.00 N ATOM 1605 CA LEU A 111 -11.788 2.418 -2.307 1.00 0.00 C ATOM 1606 C LEU A 111 -11.022 3.628 -2.827 1.00 0.00 C ATOM 1607 O LEU A 111 -11.485 4.334 -3.704 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.932 2.524 -0.788 1.00 0.00 C ATOM 1609 CG LEU A 111 -13.182 3.340 -0.453 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -14.371 2.397 -0.260 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -12.949 4.135 0.835 1.00 0.00 C ATOM 0 H LEU A 111 -11.010 0.473 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.777 2.390 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.005 1.529 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.049 2.998 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.392 4.029 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -15.262 2.978 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -14.541 1.833 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.159 1.707 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.841 4.715 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.736 3.447 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.103 4.809 0.699 1.00 0.00 H new ATOM 1623 N GLU A 112 -9.855 3.885 -2.303 1.00 0.00 N ATOM 1624 CA GLU A 112 -9.089 5.068 -2.797 1.00 0.00 C ATOM 1625 C GLU A 112 -7.707 5.097 -2.153 1.00 0.00 C ATOM 1626 O GLU A 112 -7.346 4.229 -1.381 1.00 0.00 O ATOM 1627 CB GLU A 112 -9.838 6.365 -2.441 1.00 0.00 C ATOM 1628 CG GLU A 112 -10.633 6.157 -1.151 1.00 0.00 C ATOM 1629 CD GLU A 112 -10.456 7.373 -0.239 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -9.425 7.459 0.405 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -11.356 8.197 -0.202 1.00 0.00 O ATOM 0 H GLU A 112 -9.404 3.340 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.987 4.992 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.130 7.184 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.509 6.645 -3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.689 6.013 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.292 5.255 -0.643 1.00 0.00 H new ATOM 1638 N SER A 113 -6.933 6.095 -2.470 1.00 0.00 N ATOM 1639 CA SER A 113 -5.570 6.200 -1.887 1.00 0.00 C ATOM 1640 C SER A 113 -5.270 7.661 -1.557 1.00 0.00 C ATOM 1641 O SER A 113 -6.020 8.555 -1.897 1.00 0.00 O ATOM 1642 CB SER A 113 -4.542 5.684 -2.898 1.00 0.00 C ATOM 1643 OG SER A 113 -3.914 6.783 -3.543 1.00 0.00 O ATOM 0 H SER A 113 -7.188 6.846 -3.111 1.00 0.00 H new ATOM 0 HA SER A 113 -5.516 5.603 -0.977 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.796 5.071 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.030 5.047 -3.636 1.00 0.00 H new ATOM 0 HG SER A 113 -2.972 6.824 -3.276 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.177 7.908 -0.901 1.00 0.00 N ATOM 1650 CA LYS A 114 -3.819 9.308 -0.548 1.00 0.00 C ATOM 1651 C LYS A 114 -2.294 9.468 -0.539 1.00 0.00 C ATOM 1652 O LYS A 114 -1.677 9.514 0.507 1.00 0.00 O ATOM 1653 CB LYS A 114 -4.362 9.645 0.840 1.00 0.00 C ATOM 1654 CG LYS A 114 -4.808 11.108 0.859 1.00 0.00 C ATOM 1655 CD LYS A 114 -5.345 11.462 2.244 1.00 0.00 C ATOM 1656 CE LYS A 114 -4.437 12.511 2.887 1.00 0.00 C ATOM 1657 NZ LYS A 114 -4.476 13.762 2.076 1.00 0.00 N ATOM 0 H LYS A 114 -3.512 7.199 -0.592 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.254 9.981 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.200 8.993 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.595 9.475 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.970 11.757 0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.578 11.274 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.362 11.845 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.388 10.570 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.763 12.715 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.415 12.136 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.634 13.808 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.331 13.766 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.490 14.586 2.710 1.00 0.00 H new ATOM 1671 N CYS A 115 -1.675 9.563 -1.690 1.00 0.00 N ATOM 1672 CA CYS A 115 -0.183 9.739 -1.710 1.00 0.00 C ATOM 1673 C CYS A 115 0.152 11.175 -2.133 1.00 0.00 C ATOM 1674 O CYS A 115 -0.299 11.643 -3.158 1.00 0.00 O ATOM 1675 CB CYS A 115 0.496 8.758 -2.687 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.497 7.253 -2.828 1.00 0.00 S ATOM 0 H CYS A 115 -2.126 9.528 -2.604 1.00 0.00 H new ATOM 0 HA CYS A 115 0.191 9.534 -0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.608 9.224 -3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.498 8.513 -2.334 1.00 0.00 H new ATOM 1681 N GLN A 116 0.941 11.882 -1.361 1.00 0.00 N ATOM 1682 CA GLN A 116 1.289 13.276 -1.741 1.00 0.00 C ATOM 1683 C GLN A 116 2.544 13.712 -0.978 1.00 0.00 C ATOM 1684 CB GLN A 116 0.118 14.207 -1.394 1.00 0.00 C ATOM 1685 CG GLN A 116 0.111 14.501 0.110 1.00 0.00 C ATOM 1686 CD GLN A 116 -1.305 14.880 0.548 1.00 0.00 C ATOM 1687 OE1 GLN A 116 -1.999 14.087 1.152 1.00 0.00 O ATOM 1688 NE2 GLN A 116 -1.768 16.067 0.264 1.00 0.00 N ATOM 0 H GLN A 116 1.355 11.551 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 116 1.483 13.328 -2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.204 15.138 -1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -0.824 13.744 -1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.453 13.627 0.664 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.803 15.312 0.336 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -1.186 16.734 -0.243 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -2.712 16.328 0.549 1.00 0.00 H new