USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 958 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 124 CYS SG : rot 170:sc= -4.34! USER MOD Set 1.2: A 127 ASN : amide:sc= -3.01! C(o=-7.3!,f=-7.8!) USER MOD Set 2.1: A 102 SER OG : rot -95:sc= 0.156 USER MOD Set 2.2: A 103 GLN : amide:sc= -4.59! C(o=-4.4!,f=-15!) USER MOD Set 3.1: A 64 ASN : amide:sc= 0.154 K(o=-4.3,f=-6.5!) USER MOD Set 3.2: A 72 MET CE :methyl -113:sc= -4.41 (180deg=-4.48!) USER MOD Set 4.1: A 58 TYR OH : rot -70:sc= 0.786 USER MOD Set 4.2: A 60 THR OG1 : rot -13:sc= 0.696 USER MOD Single : A 9 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.59) USER MOD Single : A 13 GLN : amide:sc= 0.0211 K(o=0.021,f=-0.96) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -155:sc= -0.425 (180deg=-1.58!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.0576 K(o=-0.058,f=-0.66) USER MOD Single : A 35 GLN : amide:sc= -0.401 K(o=-0.4,f=-3.6!) USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.105) USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.321 USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.307) USER MOD Single : A 62 ASN : amide:sc= -2.34! C(o=-2.3!,f=-3.5!) USER MOD Single : A 63 MET CE :methyl -105:sc= -0.506 (180deg=-2.19!) USER MOD Single : A 68 SER OG : rot 66:sc= 1.22 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -125:sc= -1.72! (180deg=-3.8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 46:sc= 0.194 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 130:sc= 0.407 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc=-0.00696 USER MOD Single : A 104 GLN : amide:sc= -6.04! C(o=-6!,f=-11!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.881 X(o=-0.88,f=-0.45) USER MOD Single : A 108 ASN : amide:sc= 0.578 K(o=0.58,f=-9.1!) USER MOD Single : A 109 THR OG1 : rot 74:sc= 0.51 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -3.22! C(o=-3.2!,f=-8.8!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -3.15 X(o=-3.2,f=-3.1) USER MOD Single : A 119 CYS SG : rot -52:sc= -1.53 USER MOD Single : A 120 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.036) USER MOD Single : A 129 THR OG1 : rot 103:sc= 0.795 USER MOD Single : A 135 HIS : no HD1:sc= -17.1! C(o=-17!,f=-16!) USER MOD Single : A 137 SER OG : rot -42:sc= 1.23 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.334 23.018 4.284 1.00 0.00 N ATOM 67 CA GLU A 8 -2.457 21.945 5.264 1.00 0.00 C ATOM 68 C GLU A 8 -2.510 20.584 4.576 1.00 0.00 C ATOM 69 O GLU A 8 -1.626 19.748 4.765 1.00 0.00 O ATOM 70 CB GLU A 8 -3.710 22.146 6.119 1.00 0.00 C ATOM 71 CG GLU A 8 -4.003 23.603 6.436 1.00 0.00 C ATOM 72 CD GLU A 8 -4.733 23.777 7.754 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.810 23.166 7.920 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.229 24.524 8.618 1.00 0.00 O ATOM 0 HA GLU A 8 -1.578 21.973 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.567 21.716 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.595 21.596 7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.066 24.160 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.602 24.032 5.633 1.00 0.00 H new ATOM 81 N GLN A 9 -3.552 20.370 3.779 1.00 0.00 N ATOM 82 CA GLN A 9 -3.720 19.110 3.065 1.00 0.00 C ATOM 83 C GLN A 9 -2.386 18.609 2.523 1.00 0.00 C ATOM 84 O GLN A 9 -2.049 17.434 2.667 1.00 0.00 O ATOM 85 CB GLN A 9 -4.718 19.280 1.918 1.00 0.00 C ATOM 86 CG GLN A 9 -5.399 17.984 1.508 1.00 0.00 C ATOM 87 CD GLN A 9 -6.063 18.079 0.148 1.00 0.00 C ATOM 88 OE1 GLN A 9 -5.444 18.497 -0.830 1.00 0.00 O ATOM 89 NE2 GLN A 9 -7.331 17.690 0.080 1.00 0.00 N ATOM 0 H GLN A 9 -4.292 21.052 3.612 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.106 18.372 3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.479 20.003 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.199 19.697 1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.663 17.180 1.494 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.147 17.718 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.806 17.350 0.916 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.830 17.731 -0.809 1.00 0.00 H new ATOM 98 N ALA A 10 -1.630 19.507 1.901 1.00 0.00 N ATOM 99 CA ALA A 10 -0.332 19.156 1.339 1.00 0.00 C ATOM 100 C ALA A 10 0.541 18.451 2.372 1.00 0.00 C ATOM 101 O ALA A 10 1.209 17.465 2.064 1.00 0.00 O ATOM 102 CB ALA A 10 0.370 20.400 0.813 1.00 0.00 C ATOM 0 H ALA A 10 -1.894 20.484 1.773 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.497 18.468 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.338 20.123 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.240 20.861 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.516 21.108 1.629 1.00 0.00 H new ATOM 108 N GLU A 11 0.530 18.964 3.599 1.00 0.00 N ATOM 109 CA GLU A 11 1.322 18.383 4.676 1.00 0.00 C ATOM 110 C GLU A 11 0.851 16.967 4.996 1.00 0.00 C ATOM 111 O GLU A 11 1.652 16.036 5.066 1.00 0.00 O ATOM 112 CB GLU A 11 1.236 19.256 5.930 1.00 0.00 C ATOM 113 CG GLU A 11 1.839 20.639 5.751 1.00 0.00 C ATOM 114 CD GLU A 11 2.121 21.328 7.073 1.00 0.00 C ATOM 115 OE1 GLU A 11 3.109 20.955 7.738 1.00 0.00 O ATOM 116 OE2 GLU A 11 1.351 22.240 7.441 1.00 0.00 O ATOM 0 H GLU A 11 -0.018 19.780 3.871 1.00 0.00 H new ATOM 0 HA GLU A 11 2.359 18.336 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.190 19.359 6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.745 18.750 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.766 20.556 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.159 21.255 5.163 1.00 0.00 H new ATOM 123 N ALA A 12 -0.455 16.814 5.188 1.00 0.00 N ATOM 124 CA ALA A 12 -1.034 15.513 5.499 1.00 0.00 C ATOM 125 C ALA A 12 -0.370 14.408 4.683 1.00 0.00 C ATOM 126 O ALA A 12 0.242 13.497 5.239 1.00 0.00 O ATOM 127 CB ALA A 12 -2.535 15.529 5.247 1.00 0.00 C ATOM 0 H ALA A 12 -1.132 17.575 5.134 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.856 15.306 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.954 14.551 5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.002 16.286 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.726 15.762 4.199 1.00 0.00 H new ATOM 133 N GLN A 13 -0.498 14.496 3.363 1.00 0.00 N ATOM 134 CA GLN A 13 0.089 13.502 2.472 1.00 0.00 C ATOM 135 C GLN A 13 1.563 13.282 2.797 1.00 0.00 C ATOM 136 O GLN A 13 1.996 12.154 3.035 1.00 0.00 O ATOM 137 CB GLN A 13 -0.064 13.939 1.014 1.00 0.00 C ATOM 138 CG GLN A 13 -1.400 13.553 0.401 1.00 0.00 C ATOM 139 CD GLN A 13 -1.380 13.594 -1.115 1.00 0.00 C ATOM 140 OE1 GLN A 13 -0.386 13.230 -1.744 1.00 0.00 O ATOM 141 NE2 GLN A 13 -2.481 14.039 -1.710 1.00 0.00 N ATOM 0 H GLN A 13 -1.002 15.244 2.887 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.441 12.561 2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.055 15.021 0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.739 13.496 0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.670 12.550 0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.173 14.228 0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.282 14.330 -1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.526 14.089 -2.728 1.00 0.00 H new ATOM 150 N LEU A 14 2.330 14.367 2.805 1.00 0.00 N ATOM 151 CA LEU A 14 3.757 14.293 3.100 1.00 0.00 C ATOM 152 C LEU A 14 4.004 13.545 4.407 1.00 0.00 C ATOM 153 O LEU A 14 4.579 12.457 4.411 1.00 0.00 O ATOM 154 CB LEU A 14 4.354 15.699 3.183 1.00 0.00 C ATOM 155 CG LEU A 14 5.753 15.799 3.793 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.769 15.082 2.917 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.146 17.256 3.987 1.00 0.00 C ATOM 0 H LEU A 14 1.988 15.308 2.611 1.00 0.00 H new ATOM 0 HA LEU A 14 4.243 13.746 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.387 16.118 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.679 16.325 3.767 1.00 0.00 H new ATOM 0 HG LEU A 14 5.740 15.314 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.759 15.163 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.496 14.030 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.782 15.538 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.144 17.309 4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.143 17.765 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.433 17.739 4.655 1.00 0.00 H new ATOM 169 N ALA A 15 3.564 14.136 5.513 1.00 0.00 N ATOM 170 CA ALA A 15 3.734 13.524 6.825 1.00 0.00 C ATOM 171 C ALA A 15 3.599 12.007 6.744 1.00 0.00 C ATOM 172 O ALA A 15 4.415 11.273 7.301 1.00 0.00 O ATOM 173 CB ALA A 15 2.722 14.094 7.808 1.00 0.00 C ATOM 0 H ALA A 15 3.087 15.038 5.527 1.00 0.00 H new ATOM 0 HA ALA A 15 4.738 13.755 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.860 13.628 8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.867 15.171 7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.713 13.892 7.449 1.00 0.00 H new ATOM 179 N GLU A 16 2.565 11.545 6.049 1.00 0.00 N ATOM 180 CA GLU A 16 2.324 10.115 5.898 1.00 0.00 C ATOM 181 C GLU A 16 3.521 9.427 5.248 1.00 0.00 C ATOM 182 O GLU A 16 4.041 8.438 5.767 1.00 0.00 O ATOM 183 CB GLU A 16 1.066 9.872 5.062 1.00 0.00 C ATOM 184 CG GLU A 16 0.855 8.414 4.689 1.00 0.00 C ATOM 185 CD GLU A 16 1.532 8.042 3.384 1.00 0.00 C ATOM 186 OE1 GLU A 16 2.742 7.735 3.410 1.00 0.00 O ATOM 187 OE2 GLU A 16 0.852 8.057 2.337 1.00 0.00 O ATOM 0 H GLU A 16 1.881 12.140 5.582 1.00 0.00 H new ATOM 0 HA GLU A 16 2.178 9.691 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.197 10.226 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.125 10.467 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.240 7.779 5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.214 8.214 4.610 1.00 0.00 H new ATOM 194 N LEU A 17 3.953 9.957 4.109 1.00 0.00 N ATOM 195 CA LEU A 17 5.088 9.395 3.386 1.00 0.00 C ATOM 196 C LEU A 17 6.260 9.136 4.328 1.00 0.00 C ATOM 197 O LEU A 17 6.788 8.026 4.388 1.00 0.00 O ATOM 198 CB LEU A 17 5.521 10.339 2.263 1.00 0.00 C ATOM 199 CG LEU A 17 4.584 10.421 1.057 1.00 0.00 C ATOM 200 CD1 LEU A 17 5.018 11.536 0.119 1.00 0.00 C ATOM 201 CD2 LEU A 17 4.544 9.089 0.322 1.00 0.00 C ATOM 0 H LEU A 17 3.534 10.775 3.666 1.00 0.00 H new ATOM 0 HA LEU A 17 4.776 8.444 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.633 11.340 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.505 10.028 1.913 1.00 0.00 H new ATOM 0 HG LEU A 17 3.580 10.646 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.340 11.579 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.995 12.488 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.031 11.342 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.873 9.165 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.546 8.834 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.185 8.312 0.997 1.00 0.00 H new ATOM 213 N ASP A 18 6.660 10.168 5.063 1.00 0.00 N ATOM 214 CA ASP A 18 7.767 10.052 6.005 1.00 0.00 C ATOM 215 C ASP A 18 7.584 8.838 6.911 1.00 0.00 C ATOM 216 O ASP A 18 8.506 8.042 7.094 1.00 0.00 O ATOM 217 CB ASP A 18 7.881 11.322 6.849 1.00 0.00 C ATOM 218 CG ASP A 18 9.028 11.258 7.839 1.00 0.00 C ATOM 219 OD1 ASP A 18 10.194 11.353 7.403 1.00 0.00 O ATOM 220 OD2 ASP A 18 8.759 11.114 9.050 1.00 0.00 O ATOM 0 H ASP A 18 6.234 11.094 5.025 1.00 0.00 H new ATOM 0 HA ASP A 18 8.686 9.921 5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.020 12.180 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.947 11.481 7.389 1.00 0.00 H new ATOM 225 N LEU A 19 6.390 8.704 7.477 1.00 0.00 N ATOM 226 CA LEU A 19 6.086 7.588 8.366 1.00 0.00 C ATOM 227 C LEU A 19 6.449 6.257 7.714 1.00 0.00 C ATOM 228 O LEU A 19 7.207 5.465 8.275 1.00 0.00 O ATOM 229 CB LEU A 19 4.603 7.597 8.740 1.00 0.00 C ATOM 230 CG LEU A 19 4.226 6.838 10.013 1.00 0.00 C ATOM 231 CD1 LEU A 19 2.875 7.303 10.533 1.00 0.00 C ATOM 232 CD2 LEU A 19 4.212 5.338 9.755 1.00 0.00 C ATOM 0 H LEU A 19 5.617 9.354 7.336 1.00 0.00 H new ATOM 0 HA LEU A 19 6.683 7.704 9.270 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.283 8.633 8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.037 7.176 7.909 1.00 0.00 H new ATOM 0 HG LEU A 19 4.977 7.049 10.774 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.624 6.751 11.439 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.919 8.369 10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.112 7.123 9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.942 4.814 10.672 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.483 5.109 8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.201 5.015 9.431 1.00 0.00 H new ATOM 244 N LEU A 20 5.905 6.020 6.526 1.00 0.00 N ATOM 245 CA LEU A 20 6.173 4.786 5.795 1.00 0.00 C ATOM 246 C LEU A 20 7.673 4.559 5.641 1.00 0.00 C ATOM 247 O LEU A 20 8.226 3.607 6.192 1.00 0.00 O ATOM 248 CB LEU A 20 5.509 4.832 4.417 1.00 0.00 C ATOM 249 CG LEU A 20 3.981 4.877 4.409 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.465 5.249 3.028 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.405 3.541 4.854 1.00 0.00 C ATOM 0 H LEU A 20 5.276 6.665 6.048 1.00 0.00 H new ATOM 0 HA LEU A 20 5.755 3.957 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.881 5.708 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.830 3.957 3.852 1.00 0.00 H new ATOM 0 HG LEU A 20 3.656 5.642 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.375 5.276 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.849 6.230 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.800 4.508 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.316 3.592 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.739 2.756 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.747 3.316 5.864 1.00 0.00 H new ATOM 263 N ALA A 21 8.326 5.441 4.892 1.00 0.00 N ATOM 264 CA ALA A 21 9.764 5.339 4.670 1.00 0.00 C ATOM 265 C ALA A 21 10.475 4.811 5.911 1.00 0.00 C ATOM 266 O ALA A 21 11.435 4.048 5.811 1.00 0.00 O ATOM 267 CB ALA A 21 10.333 6.692 4.269 1.00 0.00 C ATOM 0 H ALA A 21 7.883 6.234 4.429 1.00 0.00 H new ATOM 0 HA ALA A 21 9.932 4.631 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.407 6.601 4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.854 7.030 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.146 7.415 5.063 1.00 0.00 H new ATOM 273 N SER A 22 9.997 5.222 7.082 1.00 0.00 N ATOM 274 CA SER A 22 10.590 4.793 8.343 1.00 0.00 C ATOM 275 C SER A 22 10.137 3.382 8.704 1.00 0.00 C ATOM 276 O SER A 22 10.934 2.559 9.153 1.00 0.00 O ATOM 277 CB SER A 22 10.214 5.765 9.463 1.00 0.00 C ATOM 278 OG SER A 22 11.153 6.822 9.558 1.00 0.00 O ATOM 0 H SER A 22 9.201 5.851 7.183 1.00 0.00 H new ATOM 0 HA SER A 22 11.674 4.788 8.224 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.220 6.173 9.276 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.166 5.231 10.412 1.00 0.00 H new ATOM 0 HG SER A 22 10.889 7.430 10.280 1.00 0.00 H new ATOM 284 N MET A 23 8.851 3.111 8.505 1.00 0.00 N ATOM 285 CA MET A 23 8.292 1.799 8.809 1.00 0.00 C ATOM 286 C MET A 23 8.925 0.722 7.935 1.00 0.00 C ATOM 287 O MET A 23 9.245 -0.368 8.409 1.00 0.00 O ATOM 288 CB MET A 23 6.775 1.809 8.608 1.00 0.00 C ATOM 289 CG MET A 23 6.025 2.587 9.677 1.00 0.00 C ATOM 290 SD MET A 23 5.955 1.712 11.252 1.00 0.00 S ATOM 291 CE MET A 23 5.268 0.141 10.736 1.00 0.00 C ATOM 0 H MET A 23 8.177 3.782 8.135 1.00 0.00 H new ATOM 0 HA MET A 23 8.512 1.571 9.852 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.549 2.238 7.632 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.412 0.781 8.596 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.508 3.553 9.824 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.011 2.787 9.331 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.760 -0.328 11.578 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.556 0.303 9.927 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.070 -0.510 10.388 1.00 0.00 H new ATOM 301 N PHE A 24 9.103 1.034 6.655 1.00 0.00 N ATOM 302 CA PHE A 24 9.697 0.092 5.714 1.00 0.00 C ATOM 303 C PHE A 24 11.089 0.551 5.290 1.00 0.00 C ATOM 304 O PHE A 24 11.276 1.160 4.237 1.00 0.00 O ATOM 305 CB PHE A 24 8.802 -0.064 4.482 1.00 0.00 C ATOM 306 CG PHE A 24 7.387 -0.442 4.814 1.00 0.00 C ATOM 307 CD1 PHE A 24 6.555 0.449 5.473 1.00 0.00 C ATOM 308 CD2 PHE A 24 6.888 -1.687 4.466 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.252 0.104 5.780 1.00 0.00 C ATOM 310 CE2 PHE A 24 5.586 -2.037 4.770 1.00 0.00 C ATOM 311 CZ PHE A 24 4.767 -1.140 5.427 1.00 0.00 C ATOM 0 H PHE A 24 8.844 1.932 6.246 1.00 0.00 H new ATOM 0 HA PHE A 24 9.788 -0.873 6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.798 0.873 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.228 -0.823 3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.929 1.424 5.750 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.524 -2.392 3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.614 0.807 6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.210 -3.011 4.494 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.749 -1.411 5.664 1.00 0.00 H new ATOM 357 N ASN A 28 14.061 -2.808 -0.270 1.00 0.00 N ATOM 358 CA ASN A 28 13.182 -3.688 -1.031 1.00 0.00 C ATOM 359 C ASN A 28 11.750 -3.613 -0.508 1.00 0.00 C ATOM 360 O ASN A 28 10.797 -3.569 -1.284 1.00 0.00 O ATOM 361 CB ASN A 28 13.686 -5.131 -0.963 1.00 0.00 C ATOM 362 CG ASN A 28 14.702 -5.439 -2.046 1.00 0.00 C ATOM 363 OD1 ASN A 28 14.361 -5.987 -3.095 1.00 0.00 O ATOM 364 ND2 ASN A 28 15.958 -5.088 -1.796 1.00 0.00 N ATOM 0 HA ASN A 28 13.189 -3.356 -2.069 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.134 -5.311 0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.841 -5.813 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.686 -5.270 -2.487 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.195 -4.636 -0.913 1.00 0.00 H new ATOM 371 N GLU A 29 11.610 -3.598 0.814 1.00 0.00 N ATOM 372 CA GLU A 29 10.295 -3.529 1.441 1.00 0.00 C ATOM 373 C GLU A 29 9.420 -2.483 0.756 1.00 0.00 C ATOM 374 O GLU A 29 8.224 -2.695 0.552 1.00 0.00 O ATOM 375 CB GLU A 29 10.432 -3.200 2.929 1.00 0.00 C ATOM 376 CG GLU A 29 11.081 -4.308 3.741 1.00 0.00 C ATOM 377 CD GLU A 29 10.369 -5.638 3.587 1.00 0.00 C ATOM 378 OE1 GLU A 29 9.302 -5.815 4.211 1.00 0.00 O ATOM 379 OE2 GLU A 29 10.879 -6.501 2.843 1.00 0.00 O ATOM 0 H GLU A 29 12.390 -3.633 1.471 1.00 0.00 H new ATOM 0 HA GLU A 29 9.818 -4.503 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.020 -2.289 3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.444 -2.992 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.120 -4.419 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.090 -4.025 4.793 1.00 0.00 H new ATOM 386 N LEU A 30 10.024 -1.354 0.403 1.00 0.00 N ATOM 387 CA LEU A 30 9.301 -0.274 -0.259 1.00 0.00 C ATOM 388 C LEU A 30 10.190 0.431 -1.279 1.00 0.00 C ATOM 389 O LEU A 30 11.395 0.575 -1.071 1.00 0.00 O ATOM 390 CB LEU A 30 8.792 0.733 0.773 1.00 0.00 C ATOM 391 CG LEU A 30 8.384 2.103 0.230 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.286 2.712 1.089 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.588 3.031 0.163 1.00 0.00 C ATOM 0 H LEU A 30 11.013 -1.163 0.564 1.00 0.00 H new ATOM 0 HA LEU A 30 8.450 -0.708 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.934 0.297 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.569 0.879 1.523 1.00 0.00 H new ATOM 0 HG LEU A 30 7.996 1.971 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.008 3.687 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.415 2.056 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.647 2.830 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.278 4.001 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.006 3.157 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.343 2.601 -0.495 1.00 0.00 H new ATOM 405 N ILE A 31 9.587 0.870 -2.378 1.00 0.00 N ATOM 406 CA ILE A 31 10.323 1.563 -3.428 1.00 0.00 C ATOM 407 C ILE A 31 9.492 2.691 -4.029 1.00 0.00 C ATOM 408 O ILE A 31 8.428 2.456 -4.602 1.00 0.00 O ATOM 409 CB ILE A 31 10.746 0.597 -4.551 1.00 0.00 C ATOM 410 CG1 ILE A 31 11.753 -0.426 -4.022 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.334 1.370 -5.722 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.107 -1.658 -3.428 1.00 0.00 C ATOM 0 H ILE A 31 8.590 0.758 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 31 11.216 1.981 -2.964 1.00 0.00 H new ATOM 0 HB ILE A 31 9.863 0.062 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.413 -0.728 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.377 0.048 -3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.628 0.673 -6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.588 2.063 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.208 1.929 -5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.880 -2.339 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.469 -1.368 -2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.506 -2.156 -4.189 1.00 0.00 H new ATOM 424 N VAL A 32 9.987 3.918 -3.897 1.00 0.00 N ATOM 425 CA VAL A 32 9.292 5.084 -4.430 1.00 0.00 C ATOM 426 C VAL A 32 9.878 5.507 -5.772 1.00 0.00 C ATOM 427 O VAL A 32 10.876 6.224 -5.826 1.00 0.00 O ATOM 428 CB VAL A 32 9.361 6.273 -3.454 1.00 0.00 C ATOM 429 CG1 VAL A 32 8.817 7.534 -4.108 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.602 5.956 -2.174 1.00 0.00 C ATOM 0 H VAL A 32 10.866 4.130 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 32 8.250 4.796 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 32 10.405 6.449 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.874 8.363 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.408 7.769 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.778 7.375 -4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.661 6.807 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.558 5.753 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.043 5.081 -1.697 1.00 0.00 H new ATOM 440 N ASN A 33 9.250 5.058 -6.854 1.00 0.00 N ATOM 441 CA ASN A 33 9.709 5.391 -8.198 1.00 0.00 C ATOM 442 C ASN A 33 9.551 6.883 -8.473 1.00 0.00 C ATOM 443 O ASN A 33 10.510 7.562 -8.842 1.00 0.00 O ATOM 444 CB ASN A 33 8.932 4.583 -9.239 1.00 0.00 C ATOM 445 CG ASN A 33 9.593 3.254 -9.551 1.00 0.00 C ATOM 446 OD1 ASN A 33 10.813 3.172 -9.691 1.00 0.00 O ATOM 447 ND2 ASN A 33 8.787 2.204 -9.660 1.00 0.00 N ATOM 0 H ASN A 33 8.422 4.463 -6.826 1.00 0.00 H new ATOM 0 HA ASN A 33 10.767 5.138 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.920 4.406 -8.876 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.844 5.166 -10.156 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.174 1.283 -9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.781 2.318 -9.536 1.00 0.00 H new ATOM 454 N ASP A 34 8.335 7.386 -8.291 1.00 0.00 N ATOM 455 CA ASP A 34 8.051 8.799 -8.518 1.00 0.00 C ATOM 456 C ASP A 34 8.641 9.658 -7.404 1.00 0.00 C ATOM 457 O ASP A 34 7.994 9.900 -6.386 1.00 0.00 O ATOM 458 CB ASP A 34 6.542 9.028 -8.611 1.00 0.00 C ATOM 459 CG ASP A 34 6.189 10.206 -9.498 1.00 0.00 C ATOM 460 OD1 ASP A 34 6.711 11.313 -9.251 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.391 10.020 -10.440 1.00 0.00 O ATOM 0 H ASP A 34 7.531 6.837 -7.987 1.00 0.00 H new ATOM 0 HA ASP A 34 8.514 9.091 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.064 8.129 -8.999 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.141 9.196 -7.612 1.00 0.00 H new ATOM 466 N GLN A 35 9.873 10.114 -7.605 1.00 0.00 N ATOM 467 CA GLN A 35 10.551 10.944 -6.616 1.00 0.00 C ATOM 468 C GLN A 35 10.140 12.406 -6.760 1.00 0.00 C ATOM 469 O GLN A 35 9.845 13.079 -5.771 1.00 0.00 O ATOM 470 CB GLN A 35 12.068 10.812 -6.761 1.00 0.00 C ATOM 471 CG GLN A 35 12.588 9.416 -6.459 1.00 0.00 C ATOM 472 CD GLN A 35 12.628 9.117 -4.973 1.00 0.00 C ATOM 473 OE1 GLN A 35 11.916 9.738 -4.184 1.00 0.00 O ATOM 474 NE2 GLN A 35 13.464 8.161 -4.583 1.00 0.00 N ATOM 0 H GLN A 35 10.422 9.923 -8.443 1.00 0.00 H new ATOM 0 HA GLN A 35 10.257 10.598 -5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.353 11.085 -7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.552 11.524 -6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.955 8.681 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.590 9.308 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.036 7.672 -5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.534 7.916 -3.595 1.00 0.00 H new ATOM 483 N LEU A 36 10.123 12.892 -7.996 1.00 0.00 N ATOM 484 CA LEU A 36 9.749 14.275 -8.269 1.00 0.00 C ATOM 485 C LEU A 36 8.447 14.636 -7.562 1.00 0.00 C ATOM 486 O LEU A 36 8.368 15.646 -6.863 1.00 0.00 O ATOM 487 CB LEU A 36 9.603 14.496 -9.776 1.00 0.00 C ATOM 488 CG LEU A 36 9.867 15.918 -10.274 1.00 0.00 C ATOM 489 CD1 LEU A 36 8.917 16.901 -9.608 1.00 0.00 C ATOM 490 CD2 LEU A 36 11.313 16.313 -10.017 1.00 0.00 C ATOM 0 H LEU A 36 10.364 12.349 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 36 10.539 14.922 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.286 13.820 -10.290 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.592 14.212 -10.069 1.00 0.00 H new ATOM 0 HG LEU A 36 9.690 15.945 -11.349 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.119 17.907 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.888 16.629 -9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.062 16.872 -8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.483 17.328 -10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.517 16.269 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.977 15.626 -10.542 1.00 0.00 H new ATOM 502 N ALA A 37 7.428 13.804 -7.748 1.00 0.00 N ATOM 503 CA ALA A 37 6.130 14.033 -7.124 1.00 0.00 C ATOM 504 C ALA A 37 6.289 14.489 -5.678 1.00 0.00 C ATOM 505 O ALA A 37 5.600 15.403 -5.225 1.00 0.00 O ATOM 506 CB ALA A 37 5.282 12.772 -7.192 1.00 0.00 C ATOM 0 H ALA A 37 7.476 12.965 -8.326 1.00 0.00 H new ATOM 0 HA ALA A 37 5.625 14.827 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.316 12.957 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.131 12.491 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.791 11.963 -6.668 1.00 0.00 H new ATOM 512 N VAL A 38 7.201 13.846 -4.956 1.00 0.00 N ATOM 513 CA VAL A 38 7.451 14.186 -3.561 1.00 0.00 C ATOM 514 C VAL A 38 8.145 15.537 -3.440 1.00 0.00 C ATOM 515 O VAL A 38 7.642 16.449 -2.784 1.00 0.00 O ATOM 516 CB VAL A 38 8.314 13.114 -2.868 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.674 13.550 -1.456 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.590 11.776 -2.853 1.00 0.00 C ATOM 0 H VAL A 38 7.779 13.086 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 38 6.480 14.235 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 38 9.239 12.995 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.284 12.781 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.235 14.484 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.762 13.698 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.214 11.030 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.649 11.877 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.388 11.460 -3.876 1.00 0.00 H new ATOM 528 N ALA A 39 9.305 15.660 -4.078 1.00 0.00 N ATOM 529 CA ALA A 39 10.068 16.902 -4.044 1.00 0.00 C ATOM 530 C ALA A 39 9.157 18.111 -4.228 1.00 0.00 C ATOM 531 O ALA A 39 9.238 19.080 -3.474 1.00 0.00 O ATOM 532 CB ALA A 39 11.149 16.886 -5.114 1.00 0.00 C ATOM 0 H ALA A 39 9.737 14.915 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 39 10.541 16.982 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.711 17.819 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.824 16.049 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.688 16.779 -6.096 1.00 0.00 H new ATOM 538 N GLU A 40 8.290 18.046 -5.234 1.00 0.00 N ATOM 539 CA GLU A 40 7.366 19.137 -5.516 1.00 0.00 C ATOM 540 C GLU A 40 6.466 19.413 -4.315 1.00 0.00 C ATOM 541 O GLU A 40 6.233 20.566 -3.951 1.00 0.00 O ATOM 542 CB GLU A 40 6.511 18.807 -6.742 1.00 0.00 C ATOM 543 CG GLU A 40 7.169 19.179 -8.060 1.00 0.00 C ATOM 544 CD GLU A 40 6.881 20.609 -8.473 1.00 0.00 C ATOM 545 OE1 GLU A 40 7.200 21.529 -7.690 1.00 0.00 O ATOM 546 OE2 GLU A 40 6.337 20.809 -9.579 1.00 0.00 O ATOM 0 H GLU A 40 8.209 17.250 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 40 7.953 20.032 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.290 17.740 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.558 19.329 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.247 19.039 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.820 18.502 -8.840 1.00 0.00 H new ATOM 553 N LEU A 41 5.963 18.346 -3.703 1.00 0.00 N ATOM 554 CA LEU A 41 5.088 18.472 -2.543 1.00 0.00 C ATOM 555 C LEU A 41 5.786 19.221 -1.413 1.00 0.00 C ATOM 556 O LEU A 41 5.181 20.057 -0.740 1.00 0.00 O ATOM 557 CB LEU A 41 4.650 17.089 -2.058 1.00 0.00 C ATOM 558 CG LEU A 41 3.395 17.050 -1.185 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.155 17.329 -2.020 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.276 15.705 -0.482 1.00 0.00 C ATOM 0 H LEU A 41 6.146 17.385 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 41 4.208 19.041 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.482 16.457 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.473 16.646 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 41 3.479 17.828 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.272 17.297 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.238 18.316 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.065 16.575 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.377 15.695 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.215 14.910 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.151 15.545 0.149 1.00 0.00 H new ATOM 572 N LYS A 42 7.064 18.919 -1.210 1.00 0.00 N ATOM 573 CA LYS A 42 7.848 19.566 -0.165 1.00 0.00 C ATOM 574 C LYS A 42 8.045 21.047 -0.471 1.00 0.00 C ATOM 575 O LYS A 42 7.602 21.912 0.285 1.00 0.00 O ATOM 576 CB LYS A 42 9.207 18.879 -0.018 1.00 0.00 C ATOM 577 CG LYS A 42 9.182 17.672 0.903 1.00 0.00 C ATOM 578 CD LYS A 42 10.227 16.643 0.504 1.00 0.00 C ATOM 579 CE LYS A 42 10.294 15.499 1.504 1.00 0.00 C ATOM 580 NZ LYS A 42 10.879 15.933 2.803 1.00 0.00 N ATOM 0 H LYS A 42 7.579 18.229 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 42 7.300 19.477 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.555 18.567 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.930 19.601 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.360 17.993 1.929 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.193 17.215 0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.992 16.250 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.203 17.123 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.292 15.103 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.892 14.688 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.096 15.097 3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.752 16.470 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.197 16.536 3.307 1.00 0.00 H new ATOM 594 N ASP A 43 8.712 21.333 -1.584 1.00 0.00 N ATOM 595 CA ASP A 43 8.966 22.710 -1.991 1.00 0.00 C ATOM 596 C ASP A 43 7.722 23.572 -1.798 1.00 0.00 C ATOM 597 O ASP A 43 7.812 24.717 -1.352 1.00 0.00 O ATOM 598 CB ASP A 43 9.413 22.758 -3.453 1.00 0.00 C ATOM 599 CG ASP A 43 9.875 24.139 -3.872 1.00 0.00 C ATOM 600 OD1 ASP A 43 9.085 25.097 -3.736 1.00 0.00 O ATOM 601 OD2 ASP A 43 11.028 24.263 -4.336 1.00 0.00 O ATOM 0 H ASP A 43 9.087 20.629 -2.220 1.00 0.00 H new ATOM 0 HA ASP A 43 9.763 23.108 -1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.223 22.045 -3.606 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.588 22.445 -4.093 1.00 0.00 H new ATOM 606 N CYS A 44 6.565 23.016 -2.136 1.00 0.00 N ATOM 607 CA CYS A 44 5.303 23.734 -2.001 1.00 0.00 C ATOM 608 C CYS A 44 5.089 24.193 -0.563 1.00 0.00 C ATOM 609 O CYS A 44 4.874 25.378 -0.304 1.00 0.00 O ATOM 610 CB CYS A 44 4.138 22.848 -2.445 1.00 0.00 C ATOM 611 SG CYS A 44 3.799 22.908 -4.220 1.00 0.00 S ATOM 0 H CYS A 44 6.474 22.070 -2.506 1.00 0.00 H new ATOM 0 HA CYS A 44 5.345 24.615 -2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.351 21.817 -2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.241 23.148 -1.904 1.00 0.00 H new ATOM 0 HG CYS A 44 2.799 22.125 -4.498 1.00 0.00 H new ATOM 617 N ILE A 45 5.149 23.248 0.369 1.00 0.00 N ATOM 618 CA ILE A 45 4.962 23.556 1.782 1.00 0.00 C ATOM 619 C ILE A 45 6.076 24.459 2.300 1.00 0.00 C ATOM 620 O ILE A 45 5.815 25.483 2.930 1.00 0.00 O ATOM 621 CB ILE A 45 4.915 22.275 2.636 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.754 21.382 2.192 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.786 22.626 4.110 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.005 19.908 2.418 1.00 0.00 C ATOM 0 H ILE A 45 5.326 22.263 0.172 1.00 0.00 H new ATOM 0 HA ILE A 45 4.008 24.075 1.868 1.00 0.00 H new ATOM 0 HB ILE A 45 5.846 21.726 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.853 21.676 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.561 21.551 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.754 21.710 4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.642 23.226 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.869 23.193 4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.141 19.336 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.887 19.599 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.169 19.725 3.480 1.00 0.00 H new ATOM 636 N GLU A 46 7.318 24.071 2.029 1.00 0.00 N ATOM 637 CA GLU A 46 8.473 24.847 2.467 1.00 0.00 C ATOM 638 C GLU A 46 8.339 26.307 2.045 1.00 0.00 C ATOM 639 O GLU A 46 8.539 27.219 2.849 1.00 0.00 O ATOM 640 CB GLU A 46 9.761 24.254 1.893 1.00 0.00 C ATOM 641 CG GLU A 46 10.160 22.934 2.529 1.00 0.00 C ATOM 642 CD GLU A 46 11.519 22.449 2.063 1.00 0.00 C ATOM 643 OE1 GLU A 46 12.355 23.296 1.686 1.00 0.00 O ATOM 644 OE2 GLU A 46 11.747 21.221 2.076 1.00 0.00 O ATOM 0 H GLU A 46 7.550 23.225 1.509 1.00 0.00 H new ATOM 0 HA GLU A 46 8.516 24.804 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.637 24.108 0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.571 24.971 2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.171 23.046 3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.409 22.180 2.294 1.00 0.00 H new ATOM 783 N SER A 55 1.929 15.809 -10.456 1.00 0.00 N ATOM 784 CA SER A 55 2.571 14.501 -10.399 1.00 0.00 C ATOM 785 C SER A 55 1.985 13.657 -9.271 1.00 0.00 C ATOM 786 O SER A 55 1.960 14.076 -8.114 1.00 0.00 O ATOM 787 CB SER A 55 4.080 14.658 -10.202 1.00 0.00 C ATOM 788 OG SER A 55 4.750 13.424 -10.387 1.00 0.00 O ATOM 0 HA SER A 55 2.386 13.992 -11.345 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.467 15.394 -10.906 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.281 15.038 -9.200 1.00 0.00 H new ATOM 0 HG SER A 55 5.713 13.552 -10.257 1.00 0.00 H new ATOM 794 N LYS A 56 1.513 12.464 -9.618 1.00 0.00 N ATOM 795 CA LYS A 56 0.928 11.558 -8.637 1.00 0.00 C ATOM 796 C LYS A 56 2.008 10.733 -7.945 1.00 0.00 C ATOM 797 O LYS A 56 2.835 10.100 -8.600 1.00 0.00 O ATOM 798 CB LYS A 56 -0.084 10.628 -9.312 1.00 0.00 C ATOM 799 CG LYS A 56 -1.497 11.185 -9.339 1.00 0.00 C ATOM 800 CD LYS A 56 -2.441 10.274 -10.106 1.00 0.00 C ATOM 801 CE LYS A 56 -3.719 10.998 -10.497 1.00 0.00 C ATOM 802 NZ LYS A 56 -3.579 11.708 -11.799 1.00 0.00 N ATOM 0 H LYS A 56 1.524 12.102 -10.572 1.00 0.00 H new ATOM 0 HA LYS A 56 0.417 12.159 -7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.240 10.432 -10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.089 9.671 -8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.859 11.310 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.491 12.174 -9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.943 9.904 -11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.686 9.405 -9.495 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.537 10.281 -10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.983 11.715 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.350 12.398 -11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.665 12.204 -11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.624 11.019 -12.577 1.00 0.00 H new ATOM 816 N VAL A 57 1.995 10.745 -6.616 1.00 0.00 N ATOM 817 CA VAL A 57 2.972 9.997 -5.834 1.00 0.00 C ATOM 818 C VAL A 57 2.795 8.494 -6.027 1.00 0.00 C ATOM 819 O VAL A 57 1.796 7.917 -5.599 1.00 0.00 O ATOM 820 CB VAL A 57 2.862 10.327 -4.334 1.00 0.00 C ATOM 821 CG1 VAL A 57 3.948 9.606 -3.548 1.00 0.00 C ATOM 822 CG2 VAL A 57 2.941 11.830 -4.113 1.00 0.00 C ATOM 0 H VAL A 57 1.318 11.265 -6.058 1.00 0.00 H new ATOM 0 HA VAL A 57 3.958 10.293 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 57 1.894 9.980 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.855 9.851 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.840 8.530 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.927 9.920 -3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.862 12.046 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.894 12.203 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.124 12.319 -4.644 1.00 0.00 H new ATOM 832 N TYR A 58 3.772 7.868 -6.673 1.00 0.00 N ATOM 833 CA TYR A 58 3.724 6.432 -6.925 1.00 0.00 C ATOM 834 C TYR A 58 4.849 5.712 -6.189 1.00 0.00 C ATOM 835 O TYR A 58 6.019 6.080 -6.306 1.00 0.00 O ATOM 836 CB TYR A 58 3.820 6.153 -8.426 1.00 0.00 C ATOM 837 CG TYR A 58 3.933 4.683 -8.762 1.00 0.00 C ATOM 838 CD1 TYR A 58 3.064 3.754 -8.203 1.00 0.00 C ATOM 839 CD2 TYR A 58 4.908 4.224 -9.639 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.165 2.410 -8.507 1.00 0.00 C ATOM 841 CE2 TYR A 58 5.014 2.882 -9.950 1.00 0.00 C ATOM 842 CZ TYR A 58 4.141 1.979 -9.381 1.00 0.00 C ATOM 843 OH TYR A 58 4.243 0.641 -9.687 1.00 0.00 O ATOM 0 H TYR A 58 4.607 8.332 -7.032 1.00 0.00 H new ATOM 0 HA TYR A 58 2.772 6.055 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.940 6.564 -8.921 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.686 6.677 -8.830 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.297 4.088 -7.520 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.595 4.928 -10.085 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.483 1.700 -8.062 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.777 2.542 -10.635 1.00 0.00 H new ATOM 0 HH TYR A 58 4.576 0.151 -8.906 1.00 0.00 H new ATOM 853 N PHE A 59 4.488 4.683 -5.429 1.00 0.00 N ATOM 854 CA PHE A 59 5.466 3.910 -4.673 1.00 0.00 C ATOM 855 C PHE A 59 4.946 2.504 -4.390 1.00 0.00 C ATOM 856 O PHE A 59 3.925 2.328 -3.725 1.00 0.00 O ATOM 857 CB PHE A 59 5.799 4.617 -3.358 1.00 0.00 C ATOM 858 CG PHE A 59 4.622 4.752 -2.434 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.685 5.754 -2.627 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.452 3.875 -1.375 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.601 5.880 -1.778 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.371 3.996 -0.523 1.00 0.00 C ATOM 863 CZ PHE A 59 2.443 5.000 -0.726 1.00 0.00 C ATOM 0 H PHE A 59 3.525 4.365 -5.321 1.00 0.00 H new ATOM 0 HA PHE A 59 6.372 3.829 -5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.589 4.066 -2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.193 5.609 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.803 6.444 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.173 3.087 -1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.878 6.666 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.251 3.307 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.596 5.096 -0.063 1.00 0.00 H new ATOM 873 N THR A 60 5.657 1.503 -4.901 1.00 0.00 N ATOM 874 CA THR A 60 5.268 0.112 -4.706 1.00 0.00 C ATOM 875 C THR A 60 5.898 -0.463 -3.442 1.00 0.00 C ATOM 876 O THR A 60 7.034 -0.135 -3.100 1.00 0.00 O ATOM 877 CB THR A 60 5.673 -0.759 -5.910 1.00 0.00 C ATOM 878 OG1 THR A 60 5.164 -0.188 -7.121 1.00 0.00 O ATOM 879 CG2 THR A 60 5.148 -2.178 -5.753 1.00 0.00 C ATOM 0 H THR A 60 6.505 1.630 -5.453 1.00 0.00 H new ATOM 0 HA THR A 60 4.183 0.098 -4.606 1.00 0.00 H new ATOM 0 HB THR A 60 6.762 -0.794 -5.955 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.499 0.499 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.447 -2.774 -6.615 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.560 -2.620 -4.846 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.060 -2.158 -5.685 1.00 0.00 H new ATOM 887 N ILE A 61 5.154 -1.322 -2.754 1.00 0.00 N ATOM 888 CA ILE A 61 5.642 -1.944 -1.529 1.00 0.00 C ATOM 889 C ILE A 61 5.747 -3.457 -1.685 1.00 0.00 C ATOM 890 O ILE A 61 4.796 -4.116 -2.105 1.00 0.00 O ATOM 891 CB ILE A 61 4.726 -1.625 -0.333 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.635 -0.112 -0.121 1.00 0.00 C ATOM 893 CG2 ILE A 61 5.239 -2.311 0.924 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.664 0.288 0.967 1.00 0.00 C ATOM 0 H ILE A 61 4.211 -1.603 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 61 6.633 -1.531 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 61 3.727 -2.003 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.624 0.272 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.335 0.360 -1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.581 -2.076 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.257 -3.390 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.247 -1.959 1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.651 1.374 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.665 -0.066 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.975 -0.155 1.913 1.00 0.00 H new ATOM 906 N ASN A 62 6.910 -4.002 -1.343 1.00 0.00 N ATOM 907 CA ASN A 62 7.140 -5.439 -1.443 1.00 0.00 C ATOM 908 C ASN A 62 7.003 -6.108 -0.079 1.00 0.00 C ATOM 909 O ASN A 62 7.804 -5.869 0.824 1.00 0.00 O ATOM 910 CB ASN A 62 8.529 -5.715 -2.023 1.00 0.00 C ATOM 911 CG ASN A 62 8.673 -5.209 -3.445 1.00 0.00 C ATOM 912 OD1 ASN A 62 7.842 -5.500 -4.306 1.00 0.00 O ATOM 913 ND2 ASN A 62 9.731 -4.447 -3.698 1.00 0.00 N ATOM 0 H ASN A 62 7.708 -3.471 -0.994 1.00 0.00 H new ATOM 0 HA ASN A 62 6.386 -5.857 -2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.283 -5.242 -1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.723 -6.787 -2.001 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.880 -4.077 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.394 -4.231 -2.953 1.00 0.00 H new ATOM 920 N MET A 63 5.983 -6.948 0.062 1.00 0.00 N ATOM 921 CA MET A 63 5.742 -7.654 1.315 1.00 0.00 C ATOM 922 C MET A 63 5.860 -9.162 1.121 1.00 0.00 C ATOM 923 O MET A 63 5.029 -9.778 0.454 1.00 0.00 O ATOM 924 CB MET A 63 4.358 -7.305 1.865 1.00 0.00 C ATOM 925 CG MET A 63 4.223 -5.853 2.295 1.00 0.00 C ATOM 926 SD MET A 63 2.509 -5.295 2.331 1.00 0.00 S ATOM 927 CE MET A 63 1.793 -6.472 3.476 1.00 0.00 C ATOM 0 H MET A 63 5.310 -7.156 -0.676 1.00 0.00 H new ATOM 0 HA MET A 63 6.499 -7.338 2.032 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.608 -7.521 1.104 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.142 -7.949 2.717 1.00 0.00 H new ATOM 0 HG2 MET A 63 4.662 -5.729 3.285 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.792 -5.222 1.613 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.197 -7.200 2.925 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.589 -6.987 4.014 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.156 -5.946 4.187 1.00 0.00 H new ATOM 937 N ASN A 64 6.897 -9.751 1.708 1.00 0.00 N ATOM 938 CA ASN A 64 7.123 -11.188 1.598 1.00 0.00 C ATOM 939 C ASN A 64 6.312 -11.947 2.643 1.00 0.00 C ATOM 940 O ASN A 64 6.627 -11.915 3.834 1.00 0.00 O ATOM 941 CB ASN A 64 8.611 -11.505 1.760 1.00 0.00 C ATOM 942 CG ASN A 64 9.264 -10.671 2.845 1.00 0.00 C ATOM 943 OD1 ASN A 64 9.310 -9.443 2.757 1.00 0.00 O ATOM 944 ND2 ASN A 64 9.775 -11.335 3.875 1.00 0.00 N ATOM 0 H ASN A 64 7.594 -9.256 2.264 1.00 0.00 H new ATOM 0 HA ASN A 64 6.797 -11.508 0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.731 -12.562 1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.122 -11.330 0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.228 -10.827 4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.714 -12.353 3.906 1.00 0.00 H new ATOM 951 N LEU A 65 5.267 -12.631 2.191 1.00 0.00 N ATOM 952 CA LEU A 65 4.410 -13.401 3.087 1.00 0.00 C ATOM 953 C LEU A 65 4.121 -14.783 2.510 1.00 0.00 C ATOM 954 O LEU A 65 4.303 -15.018 1.316 1.00 0.00 O ATOM 955 CB LEU A 65 3.098 -12.655 3.335 1.00 0.00 C ATOM 956 CG LEU A 65 3.213 -11.144 3.538 1.00 0.00 C ATOM 957 CD1 LEU A 65 1.956 -10.442 3.047 1.00 0.00 C ATOM 958 CD2 LEU A 65 3.468 -10.820 5.003 1.00 0.00 C ATOM 0 H LEU A 65 4.992 -12.668 1.209 1.00 0.00 H new ATOM 0 HA LEU A 65 4.935 -13.526 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.434 -12.838 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.620 -13.084 4.216 1.00 0.00 H new ATOM 0 HG LEU A 65 4.059 -10.782 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.056 -9.367 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.816 -10.646 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.094 -10.809 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.547 -9.740 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.643 -11.196 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.397 -11.291 5.324 1.00 0.00 H new ATOM 970 N ASP A 66 3.669 -15.692 3.366 1.00 0.00 N ATOM 971 CA ASP A 66 3.351 -17.051 2.942 1.00 0.00 C ATOM 972 C ASP A 66 2.053 -17.080 2.141 1.00 0.00 C ATOM 973 O ASP A 66 1.100 -16.369 2.458 1.00 0.00 O ATOM 974 CB ASP A 66 3.237 -17.974 4.156 1.00 0.00 C ATOM 975 CG ASP A 66 2.165 -17.522 5.128 1.00 0.00 C ATOM 976 OD1 ASP A 66 2.429 -16.583 5.907 1.00 0.00 O ATOM 977 OD2 ASP A 66 1.063 -18.108 5.109 1.00 0.00 O ATOM 0 H ASP A 66 3.514 -15.513 4.358 1.00 0.00 H new ATOM 0 HA ASP A 66 4.160 -17.404 2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.015 -18.987 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.197 -18.013 4.671 1.00 0.00 H new ATOM 982 N VAL A 67 2.024 -17.908 1.101 1.00 0.00 N ATOM 983 CA VAL A 67 0.843 -18.030 0.254 1.00 0.00 C ATOM 984 C VAL A 67 0.249 -19.432 0.338 1.00 0.00 C ATOM 985 O VAL A 67 -0.940 -19.598 0.610 1.00 0.00 O ATOM 986 CB VAL A 67 1.171 -17.711 -1.216 1.00 0.00 C ATOM 987 CG1 VAL A 67 1.580 -16.254 -1.368 1.00 0.00 C ATOM 988 CG2 VAL A 67 2.263 -18.636 -1.731 1.00 0.00 C ATOM 0 H VAL A 67 2.804 -18.504 0.825 1.00 0.00 H new ATOM 0 HA VAL A 67 0.114 -17.307 0.621 1.00 0.00 H new ATOM 0 HB VAL A 67 0.275 -17.876 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.808 -16.047 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.763 -15.611 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.462 -16.058 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.482 -18.396 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.164 -18.505 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.927 -19.670 -1.660 1.00 0.00 H new ATOM 998 N SER A 68 1.086 -20.438 0.104 1.00 0.00 N ATOM 999 CA SER A 68 0.643 -21.826 0.149 1.00 0.00 C ATOM 1000 C SER A 68 1.820 -22.778 -0.042 1.00 0.00 C ATOM 1001 O SER A 68 2.948 -22.348 -0.284 1.00 0.00 O ATOM 1002 CB SER A 68 -0.414 -22.083 -0.926 1.00 0.00 C ATOM 1003 OG SER A 68 -1.718 -21.836 -0.428 1.00 0.00 O ATOM 0 H SER A 68 2.074 -20.317 -0.119 1.00 0.00 H new ATOM 0 HA SER A 68 0.204 -22.009 1.130 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.223 -21.444 -1.788 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.343 -23.114 -1.272 1.00 0.00 H new ATOM 0 HG SER A 68 -1.814 -20.883 -0.221 1.00 0.00 H new ATOM 1009 N ASP A 69 1.549 -24.074 0.069 1.00 0.00 N ATOM 1010 CA ASP A 69 2.584 -25.088 -0.092 1.00 0.00 C ATOM 1011 C ASP A 69 3.782 -24.790 0.804 1.00 0.00 C ATOM 1012 O ASP A 69 4.902 -25.210 0.518 1.00 0.00 O ATOM 1013 CB ASP A 69 3.031 -25.164 -1.553 1.00 0.00 C ATOM 1014 CG ASP A 69 4.010 -24.064 -1.916 1.00 0.00 C ATOM 1015 OD1 ASP A 69 5.215 -24.227 -1.634 1.00 0.00 O ATOM 1016 OD2 ASP A 69 3.570 -23.041 -2.482 1.00 0.00 O ATOM 0 H ASP A 69 0.621 -24.447 0.270 1.00 0.00 H new ATOM 0 HA ASP A 69 2.164 -26.050 0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.493 -26.134 -1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.157 -25.098 -2.201 1.00 0.00 H new ATOM 1021 N GLU A 70 3.536 -24.062 1.889 1.00 0.00 N ATOM 1022 CA GLU A 70 4.595 -23.706 2.826 1.00 0.00 C ATOM 1023 C GLU A 70 5.660 -22.851 2.144 1.00 0.00 C ATOM 1024 O GLU A 70 6.827 -22.864 2.535 1.00 0.00 O ATOM 1025 CB GLU A 70 5.235 -24.968 3.409 1.00 0.00 C ATOM 1026 CG GLU A 70 5.923 -24.739 4.745 1.00 0.00 C ATOM 1027 CD GLU A 70 6.461 -26.021 5.351 1.00 0.00 C ATOM 1028 OE1 GLU A 70 5.717 -27.023 5.378 1.00 0.00 O ATOM 1029 OE2 GLU A 70 7.627 -26.021 5.798 1.00 0.00 O ATOM 0 H GLU A 70 2.613 -23.708 2.141 1.00 0.00 H new ATOM 0 HA GLU A 70 4.150 -23.126 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.467 -25.732 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.962 -25.359 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.742 -24.033 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.218 -24.281 5.439 1.00 0.00 H new ATOM 1036 N LYS A 71 5.248 -22.108 1.123 1.00 0.00 N ATOM 1037 CA LYS A 71 6.164 -21.246 0.385 1.00 0.00 C ATOM 1038 C LYS A 71 5.774 -19.779 0.540 1.00 0.00 C ATOM 1039 O LYS A 71 4.619 -19.461 0.825 1.00 0.00 O ATOM 1040 CB LYS A 71 6.176 -21.628 -1.096 1.00 0.00 C ATOM 1041 CG LYS A 71 7.251 -22.639 -1.455 1.00 0.00 C ATOM 1042 CD LYS A 71 8.632 -22.004 -1.464 1.00 0.00 C ATOM 1043 CE LYS A 71 8.905 -21.282 -2.774 1.00 0.00 C ATOM 1044 NZ LYS A 71 9.447 -22.201 -3.812 1.00 0.00 N ATOM 0 H LYS A 71 4.285 -22.085 0.787 1.00 0.00 H new ATOM 0 HA LYS A 71 7.164 -21.384 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.202 -22.035 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.321 -20.728 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.232 -23.461 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.039 -23.065 -2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.716 -21.301 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.388 -22.773 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.983 -20.828 -3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.613 -20.472 -2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.620 -21.670 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.340 -22.615 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.761 -22.960 -3.996 1.00 0.00 H new ATOM 1058 N MET A 72 6.743 -18.890 0.349 1.00 0.00 N ATOM 1059 CA MET A 72 6.499 -17.457 0.465 1.00 0.00 C ATOM 1060 C MET A 72 6.621 -16.773 -0.893 1.00 0.00 C ATOM 1061 O MET A 72 7.152 -17.349 -1.842 1.00 0.00 O ATOM 1062 CB MET A 72 7.481 -16.829 1.455 1.00 0.00 C ATOM 1063 CG MET A 72 6.971 -16.809 2.887 1.00 0.00 C ATOM 1064 SD MET A 72 8.187 -16.157 4.048 1.00 0.00 S ATOM 1065 CE MET A 72 7.913 -14.395 3.872 1.00 0.00 C ATOM 0 H MET A 72 7.704 -19.137 0.113 1.00 0.00 H new ATOM 0 HA MET A 72 5.483 -17.316 0.833 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.421 -17.380 1.420 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.698 -15.808 1.141 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.065 -16.205 2.938 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.696 -17.821 3.185 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.789 -13.934 3.415 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.042 -14.224 3.240 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.742 -13.954 4.854 1.00 0.00 H new ATOM 1075 N ALA A 73 6.125 -15.543 -0.977 1.00 0.00 N ATOM 1076 CA ALA A 73 6.180 -14.781 -2.219 1.00 0.00 C ATOM 1077 C ALA A 73 6.064 -13.285 -1.950 1.00 0.00 C ATOM 1078 O ALA A 73 5.521 -12.869 -0.927 1.00 0.00 O ATOM 1079 CB ALA A 73 5.081 -15.236 -3.167 1.00 0.00 C ATOM 0 H ALA A 73 5.681 -15.053 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 73 7.147 -14.966 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.134 -14.658 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.211 -16.294 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.109 -15.082 -2.698 1.00 0.00 H new ATOM 1085 N MET A 74 6.579 -12.480 -2.874 1.00 0.00 N ATOM 1086 CA MET A 74 6.531 -11.029 -2.736 1.00 0.00 C ATOM 1087 C MET A 74 5.204 -10.477 -3.246 1.00 0.00 C ATOM 1088 O MET A 74 4.640 -10.986 -4.215 1.00 0.00 O ATOM 1089 CB MET A 74 7.691 -10.385 -3.499 1.00 0.00 C ATOM 1090 CG MET A 74 7.692 -8.866 -3.433 1.00 0.00 C ATOM 1091 SD MET A 74 9.119 -8.137 -4.260 1.00 0.00 S ATOM 1092 CE MET A 74 10.363 -8.282 -2.980 1.00 0.00 C ATOM 0 H MET A 74 7.034 -12.808 -3.726 1.00 0.00 H new ATOM 0 HA MET A 74 6.622 -10.787 -1.677 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.632 -10.759 -3.096 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.645 -10.695 -4.543 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.778 -8.486 -3.890 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.682 -8.551 -2.389 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.796 -7.302 -2.781 1.00 0.00 H new ATOM 0 HE2 MET A 74 9.905 -8.668 -2.070 1.00 0.00 H new ATOM 0 HE3 MET A 74 11.146 -8.964 -3.310 1.00 0.00 H new ATOM 1102 N PHE A 75 4.710 -9.435 -2.586 1.00 0.00 N ATOM 1103 CA PHE A 75 3.447 -8.815 -2.972 1.00 0.00 C ATOM 1104 C PHE A 75 3.654 -7.353 -3.357 1.00 0.00 C ATOM 1105 O PHE A 75 4.013 -6.525 -2.520 1.00 0.00 O ATOM 1106 CB PHE A 75 2.435 -8.915 -1.829 1.00 0.00 C ATOM 1107 CG PHE A 75 1.604 -10.165 -1.872 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.123 -11.373 -1.435 1.00 0.00 C ATOM 1109 CD2 PHE A 75 0.303 -10.132 -2.349 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.360 -12.526 -1.473 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.464 -11.281 -2.389 1.00 0.00 C ATOM 1112 CZ PHE A 75 0.066 -12.479 -1.952 1.00 0.00 C ATOM 0 H PHE A 75 5.164 -9.002 -1.782 1.00 0.00 H new ATOM 0 HA PHE A 75 3.059 -9.349 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.967 -8.875 -0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.775 -8.048 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.135 -11.415 -1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.116 -9.198 -2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.776 -13.461 -1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.477 -11.242 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.531 -13.378 -1.985 1.00 0.00 H new ATOM 1122 N SER A 76 3.426 -7.044 -4.629 1.00 0.00 N ATOM 1123 CA SER A 76 3.591 -5.683 -5.127 1.00 0.00 C ATOM 1124 C SER A 76 2.329 -4.860 -4.889 1.00 0.00 C ATOM 1125 O SER A 76 1.256 -5.186 -5.399 1.00 0.00 O ATOM 1126 CB SER A 76 3.928 -5.701 -6.619 1.00 0.00 C ATOM 1127 OG SER A 76 5.101 -6.456 -6.868 1.00 0.00 O ATOM 0 H SER A 76 3.126 -7.718 -5.334 1.00 0.00 H new ATOM 0 HA SER A 76 4.413 -5.220 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.094 -6.124 -7.178 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.066 -4.680 -6.976 1.00 0.00 H new ATOM 0 HG SER A 76 5.294 -6.453 -7.829 1.00 0.00 H new ATOM 1133 N LEU A 77 2.464 -3.793 -4.110 1.00 0.00 N ATOM 1134 CA LEU A 77 1.335 -2.921 -3.803 1.00 0.00 C ATOM 1135 C LEU A 77 1.540 -1.534 -4.402 1.00 0.00 C ATOM 1136 O LEU A 77 2.151 -0.663 -3.784 1.00 0.00 O ATOM 1137 CB LEU A 77 1.147 -2.812 -2.289 1.00 0.00 C ATOM 1138 CG LEU A 77 0.220 -3.848 -1.651 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.957 -5.160 -1.431 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.343 -3.324 -0.339 1.00 0.00 C ATOM 0 H LEU A 77 3.344 -3.510 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 77 0.439 -3.358 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.126 -2.889 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.760 -1.819 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.611 -4.032 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.282 -5.885 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.310 -5.544 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.808 -4.993 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.000 -4.074 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.475 -3.111 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.908 -2.411 -0.525 1.00 0.00 H new ATOM 1152 N ALA A 78 1.022 -1.335 -5.610 1.00 0.00 N ATOM 1153 CA ALA A 78 1.144 -0.052 -6.292 1.00 0.00 C ATOM 1154 C ALA A 78 0.248 1.000 -5.646 1.00 0.00 C ATOM 1155 O ALA A 78 -0.938 1.097 -5.962 1.00 0.00 O ATOM 1156 CB ALA A 78 0.804 -0.204 -7.767 1.00 0.00 C ATOM 0 H ALA A 78 0.514 -2.046 -6.136 1.00 0.00 H new ATOM 0 HA ALA A 78 2.177 0.283 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.899 0.762 -8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.488 -0.917 -8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.219 -0.565 -7.869 1.00 0.00 H new ATOM 1162 N CYS A 79 0.823 1.784 -4.741 1.00 0.00 N ATOM 1163 CA CYS A 79 0.075 2.828 -4.049 1.00 0.00 C ATOM 1164 C CYS A 79 0.281 4.181 -4.722 1.00 0.00 C ATOM 1165 O CYS A 79 1.384 4.729 -4.712 1.00 0.00 O ATOM 1166 CB CYS A 79 0.502 2.904 -2.583 1.00 0.00 C ATOM 1167 SG CYS A 79 0.589 1.299 -1.755 1.00 0.00 S ATOM 0 H CYS A 79 1.804 1.717 -4.469 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.984 2.575 -4.098 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.479 3.384 -2.525 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.199 3.541 -2.044 1.00 0.00 H new ATOM 0 HG CYS A 79 1.208 0.449 -2.520 1.00 0.00 H new ATOM 1173 N ILE A 80 -0.786 4.714 -5.308 1.00 0.00 N ATOM 1174 CA ILE A 80 -0.721 6.002 -5.986 1.00 0.00 C ATOM 1175 C ILE A 80 -1.595 7.037 -5.285 1.00 0.00 C ATOM 1176 O ILE A 80 -2.823 6.953 -5.316 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.162 5.887 -7.457 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.158 5.046 -8.249 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.309 7.269 -8.076 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -0.534 4.867 -9.703 1.00 0.00 C ATOM 0 H ILE A 80 -1.706 4.273 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 80 0.320 6.324 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.131 5.390 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.823 5.517 -8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.069 4.065 -7.782 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.621 7.171 -9.116 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.058 7.837 -7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.353 7.791 -8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.222 4.261 -10.202 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.501 4.368 -9.770 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.594 5.842 -10.186 1.00 0.00 H new ATOM 1192 N LEU A 81 -0.953 8.015 -4.655 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.671 9.069 -3.947 1.00 0.00 C ATOM 1194 C LEU A 81 -2.118 10.165 -4.910 1.00 0.00 C ATOM 1195 O LEU A 81 -1.306 10.828 -5.554 1.00 0.00 O ATOM 1196 CB LEU A 81 -0.788 9.668 -2.851 1.00 0.00 C ATOM 1197 CG LEU A 81 -0.120 8.667 -1.906 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.858 9.377 -0.982 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -1.168 7.914 -1.099 1.00 0.00 C ATOM 0 H LEU A 81 0.063 8.100 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.557 8.627 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.009 10.265 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.395 10.350 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 81 0.436 7.946 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.324 8.650 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.627 9.870 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.325 10.121 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.675 7.207 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.751 8.622 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.830 7.374 -1.776 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.442 10.361 -5.009 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.027 11.377 -5.889 1.00 0.00 C ATOM 1213 C PRO A 82 -3.754 12.795 -5.398 1.00 0.00 C ATOM 1214 O PRO A 82 -3.039 12.996 -4.416 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.526 11.072 -5.835 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.727 10.388 -4.527 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.468 9.606 -4.270 1.00 0.00 C ATOM 0 HA PRO A 82 -3.606 11.338 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.118 11.985 -5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.831 10.435 -6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.906 11.112 -3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.595 9.730 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.239 9.552 -3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.551 8.581 -4.631 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.330 13.775 -6.086 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.148 15.175 -5.721 1.00 0.00 C ATOM 1227 C PHE A 83 -5.298 15.661 -4.843 1.00 0.00 C ATOM 1228 O PHE A 83 -5.615 16.851 -4.817 1.00 0.00 O ATOM 1229 CB PHE A 83 -4.048 16.044 -6.976 1.00 0.00 C ATOM 1230 CG PHE A 83 -2.972 15.601 -7.926 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -1.641 15.887 -7.668 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -3.291 14.900 -9.078 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -0.649 15.481 -8.541 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -2.304 14.492 -9.954 1.00 0.00 C ATOM 1235 CZ PHE A 83 -0.981 14.782 -9.685 1.00 0.00 C ATOM 0 H PHE A 83 -4.927 13.626 -6.900 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.220 15.259 -5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.007 16.032 -7.494 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.858 17.076 -6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.376 16.433 -6.775 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.324 14.670 -9.294 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.385 15.710 -8.329 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.567 13.947 -10.848 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.207 14.463 -10.368 1.00 0.00 H new ATOM 1245 N LYS A 84 -5.920 14.733 -4.125 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.034 15.064 -3.245 1.00 0.00 C ATOM 1247 C LYS A 84 -6.769 14.576 -1.824 1.00 0.00 C ATOM 1248 O LYS A 84 -7.054 15.278 -0.853 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.330 14.446 -3.774 1.00 0.00 C ATOM 1250 CG LYS A 84 -8.391 14.366 -5.289 1.00 0.00 C ATOM 1251 CD LYS A 84 -9.815 14.515 -5.798 1.00 0.00 C ATOM 1252 CE LYS A 84 -9.851 15.179 -7.166 1.00 0.00 C ATOM 1253 NZ LYS A 84 -11.246 15.401 -7.639 1.00 0.00 N ATOM 0 H LYS A 84 -5.671 13.744 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.138 16.149 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.440 13.443 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.176 15.033 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.766 15.147 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.983 13.411 -5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.286 13.534 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.396 15.106 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.327 16.134 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.318 14.557 -7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.227 15.855 -8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.739 14.488 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.747 16.015 -6.966 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.220 13.372 -1.710 1.00 0.00 N ATOM 1268 CA TYR A 85 -5.917 12.790 -0.407 1.00 0.00 C ATOM 1269 C TYR A 85 -5.578 13.877 0.609 1.00 0.00 C ATOM 1270 O TYR A 85 -4.915 14.867 0.300 1.00 0.00 O ATOM 1271 CB TYR A 85 -4.754 11.804 -0.523 1.00 0.00 C ATOM 1272 CG TYR A 85 -4.811 10.679 0.485 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -5.923 9.849 0.567 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -3.754 10.446 1.356 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -5.980 8.820 1.487 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -3.802 9.418 2.278 1.00 0.00 C ATOM 1277 CZ TYR A 85 -4.917 8.608 2.339 1.00 0.00 C ATOM 1278 OH TYR A 85 -4.969 7.584 3.257 1.00 0.00 O ATOM 0 H TYR A 85 -5.976 12.780 -2.504 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.802 12.257 -0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.747 11.381 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.816 12.345 -0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.757 10.011 -0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.880 11.079 1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.852 8.185 1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.971 9.250 2.947 1.00 0.00 H new ATOM 0 HH TYR A 85 -4.150 7.050 3.198 1.00 0.00 H new ATOM 1288 N PRO A 86 -6.044 13.688 1.853 1.00 0.00 N ATOM 1289 CA PRO A 86 -6.835 12.514 2.232 1.00 0.00 C ATOM 1290 C PRO A 86 -8.226 12.526 1.608 1.00 0.00 C ATOM 1291 O PRO A 86 -8.962 11.544 1.690 1.00 0.00 O ATOM 1292 CB PRO A 86 -6.932 12.629 3.756 1.00 0.00 C ATOM 1293 CG PRO A 86 -6.771 14.083 4.037 1.00 0.00 C ATOM 1294 CD PRO A 86 -5.834 14.607 2.984 1.00 0.00 C ATOM 0 HA PRO A 86 -6.377 11.586 1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.890 12.259 4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.156 12.042 4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.731 14.597 3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.365 14.245 5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.068 15.637 2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.799 14.595 3.325 1.00 0.00 H new ATOM 1302 N ALA A 87 -8.580 13.645 0.984 1.00 0.00 N ATOM 1303 CA ALA A 87 -9.882 13.784 0.343 1.00 0.00 C ATOM 1304 C ALA A 87 -10.384 12.441 -0.177 1.00 0.00 C ATOM 1305 O ALA A 87 -11.300 11.846 0.391 1.00 0.00 O ATOM 1306 CB ALA A 87 -9.808 14.797 -0.789 1.00 0.00 C ATOM 0 H ALA A 87 -7.983 14.469 0.909 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.591 14.142 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.787 14.890 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.502 15.765 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.081 14.463 -1.529 1.00 0.00 H new ATOM 1312 N VAL A 88 -9.778 11.968 -1.262 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.163 10.695 -1.859 1.00 0.00 C ATOM 1314 C VAL A 88 -9.083 9.640 -1.646 1.00 0.00 C ATOM 1315 O VAL A 88 -7.909 9.869 -1.937 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.432 10.841 -3.368 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.405 11.981 -3.630 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -9.128 11.059 -4.122 1.00 0.00 C ATOM 0 H VAL A 88 -9.018 12.448 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.080 10.377 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.886 9.918 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.583 12.069 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.348 11.779 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.983 12.913 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.336 11.160 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.645 11.966 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.468 10.207 -3.961 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.489 8.481 -1.138 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.556 7.388 -0.886 1.00 0.00 C ATOM 1330 C LEU A 89 -7.640 7.167 -2.085 1.00 0.00 C ATOM 1331 O LEU A 89 -7.964 7.520 -3.219 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.321 6.101 -0.570 1.00 0.00 C ATOM 1333 CG LEU A 89 -9.962 6.024 0.816 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -11.225 6.870 0.868 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -10.269 4.580 1.182 1.00 0.00 C ATOM 0 H LEU A 89 -10.457 8.274 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.941 7.658 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.104 5.975 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.637 5.259 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.255 6.420 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.667 6.803 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.976 7.909 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.938 6.505 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.725 4.544 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.957 4.158 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.345 4.002 1.187 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.467 6.567 -1.831 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.481 6.282 -2.878 1.00 0.00 C ATOM 1349 C PRO A 90 -5.947 5.188 -3.831 1.00 0.00 C ATOM 1350 O PRO A 90 -7.064 4.686 -3.716 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.252 5.819 -2.091 1.00 0.00 C ATOM 1352 CG PRO A 90 -4.801 5.287 -0.812 1.00 0.00 C ATOM 1353 CD PRO A 90 -6.015 6.119 -0.503 1.00 0.00 C ATOM 0 HA PRO A 90 -5.297 7.150 -3.511 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.700 5.052 -2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.562 6.644 -1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.064 4.234 -0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.065 5.359 -0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.782 5.537 0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.771 6.962 0.144 1.00 0.00 H new ATOM 1361 N GLU A 91 -5.082 4.821 -4.772 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.407 3.786 -5.746 1.00 0.00 C ATOM 1363 C GLU A 91 -4.472 2.588 -5.598 1.00 0.00 C ATOM 1364 O GLU A 91 -3.774 2.213 -6.540 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.316 4.345 -7.168 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.363 5.403 -7.473 1.00 0.00 C ATOM 1367 CD GLU A 91 -7.720 4.806 -7.791 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -8.174 3.926 -7.030 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -8.328 5.219 -8.801 1.00 0.00 O ATOM 0 H GLU A 91 -4.152 5.225 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.428 3.454 -5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.325 4.772 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.421 3.526 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.456 6.073 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.029 6.007 -8.317 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.466 1.994 -4.410 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.619 0.839 -4.139 1.00 0.00 C ATOM 1378 C ILE A 92 -4.053 -0.368 -4.964 1.00 0.00 C ATOM 1379 O ILE A 92 -5.210 -0.786 -4.913 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.643 0.461 -2.646 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.172 1.639 -1.792 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.775 -0.763 -2.395 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.433 1.456 -0.313 1.00 0.00 C ATOM 0 H ILE A 92 -5.038 2.293 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.604 1.121 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.668 0.219 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.103 1.786 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.672 2.546 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.802 -1.017 -1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.152 -1.602 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.748 -0.547 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.073 2.330 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.503 1.339 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.911 0.567 0.041 1.00 0.00 H new ATOM 1395 N THR A 93 -3.117 -0.925 -5.725 1.00 0.00 N ATOM 1396 CA THR A 93 -3.402 -2.085 -6.562 1.00 0.00 C ATOM 1397 C THR A 93 -2.499 -3.259 -6.200 1.00 0.00 C ATOM 1398 O THR A 93 -1.330 -3.298 -6.586 1.00 0.00 O ATOM 1399 CB THR A 93 -3.224 -1.756 -8.056 1.00 0.00 C ATOM 1400 OG1 THR A 93 -4.083 -0.672 -8.425 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.534 -2.971 -8.918 1.00 0.00 C ATOM 0 H THR A 93 -2.154 -0.592 -5.780 1.00 0.00 H new ATOM 0 HA THR A 93 -4.441 -2.360 -6.379 1.00 0.00 H new ATOM 0 HB THR A 93 -2.186 -1.468 -8.221 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.962 -0.468 -9.376 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.402 -2.715 -9.969 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.859 -3.785 -8.655 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.564 -3.284 -8.748 1.00 0.00 H new ATOM 1409 N VAL A 94 -3.048 -4.215 -5.458 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.293 -5.392 -5.046 1.00 0.00 C ATOM 1411 C VAL A 94 -2.120 -6.368 -6.204 1.00 0.00 C ATOM 1412 O VAL A 94 -3.094 -6.931 -6.705 1.00 0.00 O ATOM 1413 CB VAL A 94 -2.980 -6.119 -3.875 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -2.148 -7.308 -3.422 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.224 -5.157 -2.721 1.00 0.00 C ATOM 0 H VAL A 94 -4.014 -4.197 -5.130 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.314 -5.041 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.945 -6.492 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.650 -7.809 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.030 -8.006 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.167 -6.963 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.710 -5.687 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.272 -4.752 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.865 -4.342 -3.056 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.875 -6.563 -6.626 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.575 -7.471 -7.727 1.00 0.00 C ATOM 1427 C ARG A 95 0.442 -8.525 -7.300 1.00 0.00 C ATOM 1428 O ARG A 95 1.466 -8.205 -6.696 1.00 0.00 O ATOM 1429 CB ARG A 95 -0.041 -6.689 -8.929 1.00 0.00 C ATOM 1430 CG ARG A 95 -1.121 -5.951 -9.703 1.00 0.00 C ATOM 1431 CD ARG A 95 -1.726 -6.827 -10.788 1.00 0.00 C ATOM 1432 NE ARG A 95 -0.991 -6.727 -12.046 1.00 0.00 N ATOM 1433 CZ ARG A 95 -0.985 -5.640 -12.809 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -1.671 -4.565 -12.444 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -0.292 -5.625 -13.940 1.00 0.00 N ATOM 0 H ARG A 95 -0.058 -6.105 -6.222 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.498 -7.976 -8.011 1.00 0.00 H new ATOM 0 HB2 ARG A 95 0.702 -5.970 -8.583 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.470 -7.377 -9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.904 -5.626 -9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.698 -5.053 -10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.733 -7.865 -10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.764 -6.537 -10.951 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.453 -7.536 -12.356 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.205 -4.572 -11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -1.664 -3.732 -13.032 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.237 -6.449 -14.225 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.288 -4.789 -14.525 1.00 0.00 H new ATOM 1449 N SER A 96 0.152 -9.783 -7.617 1.00 0.00 N ATOM 1450 CA SER A 96 1.039 -10.885 -7.263 1.00 0.00 C ATOM 1451 C SER A 96 1.032 -11.957 -8.348 1.00 0.00 C ATOM 1452 O SER A 96 0.029 -12.640 -8.556 1.00 0.00 O ATOM 1453 CB SER A 96 0.619 -11.495 -5.924 1.00 0.00 C ATOM 1454 OG SER A 96 1.522 -12.510 -5.521 1.00 0.00 O ATOM 0 H SER A 96 -0.691 -10.064 -8.118 1.00 0.00 H new ATOM 0 HA SER A 96 2.051 -10.491 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.579 -10.716 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.385 -11.910 -6.009 1.00 0.00 H new ATOM 0 HG SER A 96 1.233 -12.883 -4.662 1.00 0.00 H new ATOM 1460 N VAL A 97 2.160 -12.101 -9.037 1.00 0.00 N ATOM 1461 CA VAL A 97 2.287 -13.090 -10.100 1.00 0.00 C ATOM 1462 C VAL A 97 1.498 -14.353 -9.771 1.00 0.00 C ATOM 1463 O VAL A 97 0.930 -14.992 -10.659 1.00 0.00 O ATOM 1464 CB VAL A 97 3.760 -13.468 -10.343 1.00 0.00 C ATOM 1465 CG1 VAL A 97 4.546 -12.262 -10.836 1.00 0.00 C ATOM 1466 CG2 VAL A 97 4.380 -14.037 -9.076 1.00 0.00 C ATOM 0 H VAL A 97 3.000 -11.544 -8.877 1.00 0.00 H new ATOM 0 HA VAL A 97 1.883 -12.636 -11.005 1.00 0.00 H new ATOM 0 HB VAL A 97 3.797 -14.237 -11.115 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.585 -12.548 -11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.114 -11.903 -11.770 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.503 -11.470 -10.089 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.421 -14.299 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.332 -13.292 -8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.832 -14.928 -8.771 1.00 0.00 H new ATOM 1476 N LEU A 98 1.465 -14.708 -8.492 1.00 0.00 N ATOM 1477 CA LEU A 98 0.745 -15.895 -8.045 1.00 0.00 C ATOM 1478 C LEU A 98 -0.746 -15.771 -8.343 1.00 0.00 C ATOM 1479 O LEU A 98 -1.327 -16.620 -9.021 1.00 0.00 O ATOM 1480 CB LEU A 98 0.960 -16.112 -6.546 1.00 0.00 C ATOM 1481 CG LEU A 98 2.406 -16.027 -6.056 1.00 0.00 C ATOM 1482 CD1 LEU A 98 2.478 -16.275 -4.558 1.00 0.00 C ATOM 1483 CD2 LEU A 98 3.283 -17.019 -6.806 1.00 0.00 C ATOM 0 H LEU A 98 1.929 -14.191 -7.745 1.00 0.00 H new ATOM 0 HA LEU A 98 1.136 -16.754 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.370 -15.373 -6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.565 -17.093 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 98 2.778 -15.022 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.515 -16.210 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.884 -15.525 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.087 -17.268 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.308 -16.944 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.912 -18.030 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.257 -16.794 -7.872 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.360 -14.708 -7.835 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.783 -14.472 -8.049 1.00 0.00 C ATOM 1497 C LEU A 99 -3.058 -14.077 -9.496 1.00 0.00 C ATOM 1498 O LEU A 99 -2.255 -13.389 -10.126 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.286 -13.377 -7.105 1.00 0.00 C ATOM 1500 CG LEU A 99 -2.949 -13.561 -5.625 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.839 -12.211 -4.932 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -3.997 -14.428 -4.944 1.00 0.00 C ATOM 0 H LEU A 99 -0.894 -13.996 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.316 -15.399 -7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.874 -12.423 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.369 -13.308 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.985 -14.065 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.599 -12.361 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.052 -11.623 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.788 -11.681 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.741 -14.549 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.974 -13.952 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.028 -15.406 -5.424 1.00 0.00 H new ATOM 1514 N SER A 100 -4.200 -14.517 -10.017 1.00 0.00 N ATOM 1515 CA SER A 100 -4.580 -14.211 -11.391 1.00 0.00 C ATOM 1516 C SER A 100 -5.525 -13.014 -11.439 1.00 0.00 C ATOM 1517 O SER A 100 -6.284 -12.770 -10.501 1.00 0.00 O ATOM 1518 CB SER A 100 -5.245 -15.426 -12.041 1.00 0.00 C ATOM 1519 OG SER A 100 -5.916 -15.062 -13.235 1.00 0.00 O ATOM 0 H SER A 100 -4.877 -15.086 -9.508 1.00 0.00 H new ATOM 0 HA SER A 100 -3.675 -13.961 -11.945 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.492 -16.183 -12.260 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.954 -15.873 -11.344 1.00 0.00 H new ATOM 0 HG SER A 100 -6.331 -15.856 -13.632 1.00 0.00 H new ATOM 1525 N ARG A 101 -5.472 -12.270 -12.540 1.00 0.00 N ATOM 1526 CA ARG A 101 -6.321 -11.098 -12.711 1.00 0.00 C ATOM 1527 C ARG A 101 -7.744 -11.383 -12.240 1.00 0.00 C ATOM 1528 O ARG A 101 -8.488 -10.467 -11.889 1.00 0.00 O ATOM 1529 CB ARG A 101 -6.336 -10.662 -14.178 1.00 0.00 C ATOM 1530 CG ARG A 101 -5.157 -9.783 -14.564 1.00 0.00 C ATOM 1531 CD ARG A 101 -5.151 -9.483 -16.055 1.00 0.00 C ATOM 1532 NE ARG A 101 -5.092 -10.701 -16.858 1.00 0.00 N ATOM 1533 CZ ARG A 101 -6.163 -11.408 -17.201 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -7.370 -11.019 -16.813 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -6.029 -12.505 -17.934 1.00 0.00 N ATOM 0 H ARG A 101 -4.850 -12.459 -13.326 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.910 -10.292 -12.103 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -6.340 -11.549 -14.812 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.262 -10.123 -14.379 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.199 -8.849 -14.004 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.226 -10.279 -14.288 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.048 -8.920 -16.315 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.297 -8.850 -16.294 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.178 -11.027 -17.173 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -7.477 -10.175 -16.250 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.191 -11.564 -17.078 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.102 -12.807 -18.235 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.852 -13.047 -18.196 1.00 0.00 H new ATOM 1549 N SER A 102 -8.115 -12.659 -12.235 1.00 0.00 N ATOM 1550 CA SER A 102 -9.450 -13.065 -11.811 1.00 0.00 C ATOM 1551 C SER A 102 -9.609 -12.917 -10.301 1.00 0.00 C ATOM 1552 O SER A 102 -10.528 -12.251 -9.826 1.00 0.00 O ATOM 1553 CB SER A 102 -9.721 -14.513 -12.225 1.00 0.00 C ATOM 1554 OG SER A 102 -10.679 -15.116 -11.372 1.00 0.00 O ATOM 0 H SER A 102 -7.510 -13.429 -12.520 1.00 0.00 H new ATOM 0 HA SER A 102 -10.174 -12.413 -12.300 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.078 -14.540 -13.254 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.792 -15.083 -12.195 1.00 0.00 H new ATOM 0 HG SER A 102 -10.219 -15.610 -10.661 1.00 0.00 H new ATOM 1560 N GLN A 103 -8.706 -13.544 -9.553 1.00 0.00 N ATOM 1561 CA GLN A 103 -8.747 -13.483 -8.097 1.00 0.00 C ATOM 1562 C GLN A 103 -8.195 -12.153 -7.592 1.00 0.00 C ATOM 1563 O GLN A 103 -8.800 -11.504 -6.740 1.00 0.00 O ATOM 1564 CB GLN A 103 -7.949 -14.641 -7.495 1.00 0.00 C ATOM 1565 CG GLN A 103 -6.796 -15.105 -8.369 1.00 0.00 C ATOM 1566 CD GLN A 103 -7.217 -16.148 -9.386 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -8.102 -15.908 -10.207 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -6.583 -17.313 -9.336 1.00 0.00 N ATOM 0 H GLN A 103 -7.938 -14.099 -9.931 1.00 0.00 H new ATOM 0 HA GLN A 103 -9.788 -13.566 -7.784 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.558 -14.336 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -8.621 -15.481 -7.318 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -6.371 -14.247 -8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -6.009 -15.516 -7.737 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.855 -17.468 -8.638 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.823 -18.053 -9.995 1.00 0.00 H new ATOM 1577 N GLN A 104 -7.044 -11.756 -8.125 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.411 -10.504 -7.727 1.00 0.00 C ATOM 1579 C GLN A 104 -7.441 -9.384 -7.617 1.00 0.00 C ATOM 1580 O GLN A 104 -7.654 -8.825 -6.541 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.323 -10.116 -8.730 1.00 0.00 C ATOM 1582 CG GLN A 104 -4.368 -9.054 -8.211 1.00 0.00 C ATOM 1583 CD GLN A 104 -3.605 -9.505 -6.981 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -2.441 -9.895 -7.067 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.260 -9.454 -5.827 1.00 0.00 N ATOM 0 H GLN A 104 -6.531 -12.282 -8.833 1.00 0.00 H new ATOM 0 HA GLN A 104 -5.956 -10.652 -6.748 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.753 -11.006 -8.997 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.795 -9.753 -9.643 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.660 -8.792 -8.997 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -4.930 -8.150 -7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.225 -9.124 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.798 -9.745 -4.965 1.00 0.00 H new ATOM 1594 N THR A 105 -8.077 -9.060 -8.738 1.00 0.00 N ATOM 1595 CA THR A 105 -9.084 -8.007 -8.769 1.00 0.00 C ATOM 1596 C THR A 105 -10.019 -8.105 -7.569 1.00 0.00 C ATOM 1597 O THR A 105 -10.449 -7.090 -7.022 1.00 0.00 O ATOM 1598 CB THR A 105 -9.918 -8.064 -10.062 1.00 0.00 C ATOM 1599 OG1 THR A 105 -10.454 -6.769 -10.357 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.052 -9.069 -9.931 1.00 0.00 C ATOM 0 H THR A 105 -7.912 -9.512 -9.637 1.00 0.00 H new ATOM 0 HA THR A 105 -8.549 -7.058 -8.733 1.00 0.00 H new ATOM 0 HB THR A 105 -9.265 -8.381 -10.875 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.982 -6.813 -11.182 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.627 -9.091 -10.857 1.00 0.00 H new ATOM 0 HG22 THR A 105 -10.640 -10.059 -9.736 1.00 0.00 H new ATOM 0 HG23 THR A 105 -11.703 -8.778 -9.107 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.329 -9.332 -7.166 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.215 -9.562 -6.030 1.00 0.00 C ATOM 1610 C GLN A 106 -10.621 -8.981 -4.751 1.00 0.00 C ATOM 1611 O GLN A 106 -11.290 -8.252 -4.018 1.00 0.00 O ATOM 1612 CB GLN A 106 -11.474 -11.059 -5.853 1.00 0.00 C ATOM 1613 CG GLN A 106 -12.685 -11.368 -4.988 1.00 0.00 C ATOM 1614 CD GLN A 106 -13.942 -10.671 -5.471 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -14.696 -11.215 -6.277 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.173 -9.459 -4.980 1.00 0.00 N ATOM 0 H GLN A 106 -9.980 -10.182 -7.608 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.161 -9.059 -6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.613 -11.514 -6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.593 -11.522 -5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.853 -12.445 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.479 -11.067 -3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.521 -9.046 -4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.003 -8.941 -5.269 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.361 -9.310 -4.488 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.676 -8.821 -3.296 1.00 0.00 C ATOM 1627 C LEU A 107 -8.596 -7.298 -3.300 1.00 0.00 C ATOM 1628 O LEU A 107 -8.668 -6.661 -2.250 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.269 -9.416 -3.213 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.356 -8.832 -2.135 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.312 -9.852 -1.709 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.687 -7.559 -2.635 1.00 0.00 C ATOM 0 H LEU A 107 -8.793 -9.913 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.249 -9.134 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.359 -10.489 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.784 -9.287 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.965 -8.582 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.671 -9.418 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.809 -10.736 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.706 -10.134 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.041 -7.157 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.091 -7.784 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.450 -6.823 -2.889 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.449 -6.721 -4.488 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.362 -5.272 -4.628 1.00 0.00 C ATOM 1646 C ASN A 108 -9.704 -4.614 -4.323 1.00 0.00 C ATOM 1647 O ASN A 108 -9.806 -3.770 -3.432 1.00 0.00 O ATOM 1648 CB ASN A 108 -7.910 -4.902 -6.042 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.401 -4.797 -6.158 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.765 -4.025 -5.440 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -5.822 -5.574 -7.066 1.00 0.00 N ATOM 0 H ASN A 108 -8.388 -7.234 -5.367 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.627 -4.906 -3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.274 -5.651 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.361 -3.951 -6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.810 -5.546 -7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.389 -6.199 -7.639 1.00 0.00 H new ATOM 1658 N THR A 109 -10.733 -5.006 -5.068 1.00 0.00 N ATOM 1659 CA THR A 109 -12.068 -4.455 -4.878 1.00 0.00 C ATOM 1660 C THR A 109 -12.416 -4.354 -3.397 1.00 0.00 C ATOM 1661 O THR A 109 -13.243 -3.534 -2.999 1.00 0.00 O ATOM 1662 CB THR A 109 -13.135 -5.311 -5.587 1.00 0.00 C ATOM 1663 OG1 THR A 109 -12.865 -5.366 -6.992 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.527 -4.742 -5.355 1.00 0.00 C ATOM 0 H THR A 109 -10.667 -5.704 -5.809 1.00 0.00 H new ATOM 0 HA THR A 109 -12.063 -3.457 -5.316 1.00 0.00 H new ATOM 0 HB THR A 109 -13.097 -6.318 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.099 -5.955 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.264 -5.363 -5.865 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.741 -4.729 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.575 -3.726 -5.747 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.778 -5.191 -2.586 1.00 0.00 N ATOM 1673 CA ASP A 110 -12.019 -5.194 -1.148 1.00 0.00 C ATOM 1674 C ASP A 110 -11.013 -4.304 -0.426 1.00 0.00 C ATOM 1675 O ASP A 110 -11.391 -3.396 0.316 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.942 -6.620 -0.600 1.00 0.00 C ATOM 1677 CG ASP A 110 -12.366 -6.705 0.854 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -12.200 -5.703 1.579 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -12.863 -7.774 1.265 1.00 0.00 O ATOM 0 H ASP A 110 -11.090 -5.876 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 110 -13.019 -4.798 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -12.578 -7.271 -1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.922 -6.990 -0.700 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.730 -4.569 -0.648 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.668 -3.792 -0.019 1.00 0.00 C ATOM 1686 C LEU A 111 -9.063 -2.323 0.097 1.00 0.00 C ATOM 1687 O LEU A 111 -8.862 -1.695 1.137 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.371 -3.922 -0.819 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.287 -2.888 -0.513 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -5.973 -2.869 0.975 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.030 -3.178 -1.321 1.00 0.00 C ATOM 0 H LEU A 111 -9.400 -5.316 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.509 -4.186 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -6.957 -4.915 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.614 -3.861 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.659 -1.904 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.199 -2.127 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.873 -2.613 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.621 -3.853 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.269 -2.432 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.655 -4.169 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.265 -3.140 -2.385 1.00 0.00 H new ATOM 1703 N THR A 112 -9.627 -1.781 -0.978 1.00 0.00 N ATOM 1704 CA THR A 112 -10.051 -0.387 -0.998 1.00 0.00 C ATOM 1705 C THR A 112 -11.253 -0.165 -0.086 1.00 0.00 C ATOM 1706 O THR A 112 -11.267 0.761 0.724 1.00 0.00 O ATOM 1707 CB THR A 112 -10.411 0.071 -2.424 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.287 -0.105 -3.293 1.00 0.00 O ATOM 1709 CG2 THR A 112 -10.841 1.530 -2.431 1.00 0.00 C ATOM 0 H THR A 112 -9.801 -2.287 -1.846 1.00 0.00 H new ATOM 0 HA THR A 112 -9.210 0.204 -0.637 1.00 0.00 H new ATOM 0 HB THR A 112 -11.243 -0.538 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.524 0.187 -4.198 1.00 0.00 H new ATOM 0 HG21 THR A 112 -11.090 1.831 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.715 1.655 -1.791 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.027 2.151 -2.058 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.260 -1.022 -0.223 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.465 -0.920 0.590 1.00 0.00 C ATOM 1719 C ALA A 113 -13.121 -0.825 2.072 1.00 0.00 C ATOM 1720 O ALA A 113 -13.728 -0.052 2.813 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.377 -2.111 0.333 1.00 0.00 C ATOM 0 H ALA A 113 -12.265 -1.794 -0.889 1.00 0.00 H new ATOM 0 HA ALA A 113 -13.989 -0.007 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.273 -2.022 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.659 -2.133 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.853 -3.032 0.588 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.143 -1.618 2.500 1.00 0.00 N ATOM 1728 CA PHE A 114 -11.719 -1.624 3.895 1.00 0.00 C ATOM 1729 C PHE A 114 -11.520 -0.201 4.409 1.00 0.00 C ATOM 1730 O PHE A 114 -12.138 0.208 5.392 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.423 -2.422 4.052 1.00 0.00 C ATOM 1732 CG PHE A 114 -9.584 -1.979 5.217 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -10.017 -2.183 6.517 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -8.363 -1.357 5.011 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -9.247 -1.777 7.591 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -7.589 -0.949 6.081 1.00 0.00 C ATOM 1737 CZ PHE A 114 -8.032 -1.158 7.373 1.00 0.00 C ATOM 0 H PHE A 114 -11.630 -2.264 1.900 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.503 -2.098 4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.668 -3.477 4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.837 -2.332 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.967 -2.665 6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.012 -1.189 4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.595 -1.944 8.600 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.638 -0.467 5.907 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.430 -0.838 8.210 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.651 0.548 3.738 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.369 1.925 4.127 1.00 0.00 C ATOM 1749 C LEU A 115 -11.616 2.794 3.999 1.00 0.00 C ATOM 1750 O LEU A 115 -11.968 3.529 4.921 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.244 2.499 3.263 1.00 0.00 C ATOM 1752 CG LEU A 115 -7.925 1.726 3.279 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.084 2.079 2.062 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.156 2.010 4.562 1.00 0.00 C ATOM 0 H LEU A 115 -10.130 0.225 2.923 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.055 1.924 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.597 2.555 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.048 3.520 3.589 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.150 0.660 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.149 1.519 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.632 1.824 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.867 3.147 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.220 1.452 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.942 3.077 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.755 1.705 5.420 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.281 2.700 2.853 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.491 3.477 2.606 1.00 0.00 C ATOM 1768 C GLN A 116 -14.353 3.554 3.862 1.00 0.00 C ATOM 1769 O GLN A 116 -14.957 4.588 4.151 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.293 2.860 1.459 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.646 3.043 0.096 1.00 0.00 C ATOM 1772 CD GLN A 116 -13.795 4.455 -0.436 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -13.647 5.428 0.303 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -14.089 4.573 -1.725 1.00 0.00 N ATOM 0 H GLN A 116 -12.003 2.094 2.081 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.194 4.488 2.329 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.423 1.795 1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.288 3.305 1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -12.587 2.795 0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -14.092 2.344 -0.611 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -14.203 3.739 -2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -14.201 5.498 -2.140 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.407 2.454 4.605 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.194 2.397 5.831 1.00 0.00 C ATOM 1785 C LYS A 117 -14.335 2.730 7.046 1.00 0.00 C ATOM 1786 O LYS A 117 -14.581 3.716 7.742 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.815 1.008 5.998 1.00 0.00 C ATOM 1788 CG LYS A 117 -17.002 0.982 6.945 1.00 0.00 C ATOM 1789 CD LYS A 117 -17.152 -0.374 7.614 1.00 0.00 C ATOM 1790 CE LYS A 117 -17.824 -0.254 8.974 1.00 0.00 C ATOM 1791 NZ LYS A 117 -18.593 -1.480 9.323 1.00 0.00 N ATOM 0 H LYS A 117 -13.915 1.590 4.379 1.00 0.00 H new ATOM 0 HA LYS A 117 -15.990 3.138 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -16.132 0.641 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -15.053 0.320 6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.878 1.752 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.913 1.220 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.738 -1.034 6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -16.171 -0.834 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.068 -0.070 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -18.493 0.607 8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.035 -1.358 10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -19.331 -1.642 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -17.950 -2.297 9.348 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.324 1.904 7.295 1.00 0.00 N ATOM 1806 CA HIS A 118 -12.426 2.112 8.426 1.00 0.00 C ATOM 1807 C HIS A 118 -11.870 3.533 8.422 1.00 0.00 C ATOM 1808 O HIS A 118 -12.072 4.291 9.371 1.00 0.00 O ATOM 1809 CB HIS A 118 -11.279 1.103 8.386 1.00 0.00 C ATOM 1810 CG HIS A 118 -11.691 -0.287 8.762 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -11.236 -0.927 9.895 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -12.523 -1.160 8.148 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -11.768 -2.134 9.961 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -12.554 -2.300 8.912 1.00 0.00 N ATOM 0 H HIS A 118 -13.106 1.084 6.729 1.00 0.00 H new ATOM 0 HA HIS A 118 -12.996 1.965 9.343 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -10.854 1.088 7.382 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.490 1.435 9.061 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.062 -0.991 7.228 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -11.591 -2.861 10.740 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.096 -3.139 8.704 1.00 0.00 H new ATOM 1823 N CYS A 119 -11.169 3.886 7.351 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.581 5.215 7.225 1.00 0.00 C ATOM 1825 C CYS A 119 -11.175 5.961 6.034 1.00 0.00 C ATOM 1826 O CYS A 119 -10.865 5.658 4.881 1.00 0.00 O ATOM 1827 CB CYS A 119 -9.063 5.112 7.073 1.00 0.00 C ATOM 1828 SG CYS A 119 -8.245 6.692 6.752 1.00 0.00 S ATOM 0 H CYS A 119 -10.994 3.270 6.557 1.00 0.00 H new ATOM 0 HA CYS A 119 -10.810 5.774 8.132 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.646 4.677 7.981 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.836 4.425 6.258 1.00 0.00 H new ATOM 0 HG CYS A 119 -8.822 7.283 5.748 1.00 0.00 H new ATOM 1834 N HIS A 120 -12.031 6.936 6.320 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.669 7.725 5.272 1.00 0.00 C ATOM 1836 C HIS A 120 -12.532 9.218 5.556 1.00 0.00 C ATOM 1837 O HIS A 120 -13.430 9.837 6.126 1.00 0.00 O ATOM 1838 CB HIS A 120 -14.147 7.351 5.151 1.00 0.00 C ATOM 1839 CG HIS A 120 -14.726 7.628 3.798 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -16.082 7.717 3.564 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -14.125 7.839 2.604 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -16.290 7.968 2.284 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -15.118 8.048 1.679 1.00 0.00 N ATOM 0 H HIS A 120 -12.299 7.199 7.268 1.00 0.00 H new ATOM 0 HA HIS A 120 -12.168 7.505 4.330 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -14.265 6.291 5.378 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.715 7.902 5.900 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -13.062 7.842 2.414 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -17.254 8.088 1.812 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -14.974 8.235 0.687 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.401 9.791 5.156 1.00 0.00 N ATOM 1853 CA GLY A 121 -11.167 11.206 5.377 1.00 0.00 C ATOM 1854 C GLY A 121 -9.877 11.469 6.128 1.00 0.00 C ATOM 1855 O GLY A 121 -9.774 12.442 6.876 1.00 0.00 O ATOM 0 H GLY A 121 -10.642 9.300 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -11.136 11.721 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.002 11.626 5.937 1.00 0.00 H new ATOM 1859 N ASP A 122 -8.891 10.601 5.931 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.602 10.744 6.597 1.00 0.00 C ATOM 1861 C ASP A 122 -6.504 10.028 5.816 1.00 0.00 C ATOM 1862 O ASP A 122 -6.765 9.410 4.783 1.00 0.00 O ATOM 1863 CB ASP A 122 -7.674 10.191 8.021 1.00 0.00 C ATOM 1864 CG ASP A 122 -8.813 10.795 8.819 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -8.612 11.872 9.418 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -9.906 10.190 8.845 1.00 0.00 O ATOM 0 H ASP A 122 -8.960 9.791 5.315 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.360 11.806 6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.796 9.109 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -6.732 10.388 8.532 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.276 10.116 6.315 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.138 9.477 5.664 1.00 0.00 C ATOM 1873 C VAL A 123 -3.773 8.169 6.356 1.00 0.00 C ATOM 1874 O VAL A 123 -3.083 8.166 7.376 1.00 0.00 O ATOM 1875 CB VAL A 123 -2.906 10.401 5.653 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.190 11.661 4.850 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.487 10.746 7.074 1.00 0.00 C ATOM 0 H VAL A 123 -5.043 10.624 7.168 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.436 9.270 4.636 1.00 0.00 H new ATOM 0 HB VAL A 123 -2.081 9.873 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.308 12.301 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.438 11.390 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.028 12.196 5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.615 11.400 7.048 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.307 11.255 7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.239 9.831 7.612 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.239 7.059 5.794 1.00 0.00 N ATOM 1888 CA CYS A 124 -3.962 5.742 6.358 1.00 0.00 C ATOM 1889 C CYS A 124 -3.549 4.760 5.266 1.00 0.00 C ATOM 1890 O CYS A 124 -4.397 4.161 4.603 1.00 0.00 O ATOM 1891 CB CYS A 124 -5.190 5.213 7.099 1.00 0.00 C ATOM 1892 SG CYS A 124 -4.800 4.132 8.496 1.00 0.00 S ATOM 0 H CYS A 124 -4.810 7.044 4.949 1.00 0.00 H new ATOM 0 HA CYS A 124 -3.137 5.842 7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -5.776 6.059 7.460 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -5.819 4.667 6.395 1.00 0.00 H new ATOM 0 HG CYS A 124 -5.879 3.908 9.186 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.242 4.600 5.084 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.718 3.691 4.073 1.00 0.00 C ATOM 1900 C ILE A 125 -1.377 2.333 4.678 1.00 0.00 C ATOM 1901 O ILE A 125 -1.607 1.292 4.062 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.461 4.268 3.395 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.784 5.607 2.729 1.00 0.00 C ATOM 1904 CG2 ILE A 125 0.090 3.283 2.376 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -1.895 5.522 1.707 1.00 0.00 C ATOM 0 H ILE A 125 -1.527 5.088 5.624 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.501 3.567 3.325 1.00 0.00 H new ATOM 0 HB ILE A 125 0.300 4.437 4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.063 6.328 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.115 5.989 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.978 3.705 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.353 2.351 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.665 3.086 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.069 6.508 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.611 4.826 0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.807 5.170 2.189 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.830 2.352 5.888 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.459 1.121 6.579 1.00 0.00 C ATOM 1919 C LEU A 126 -1.671 0.212 6.760 1.00 0.00 C ATOM 1920 O LEU A 126 -1.673 -0.932 6.309 1.00 0.00 O ATOM 1921 CB LEU A 126 0.158 1.444 7.941 1.00 0.00 C ATOM 1922 CG LEU A 126 1.653 1.765 7.940 1.00 0.00 C ATOM 1923 CD1 LEU A 126 2.014 2.632 9.137 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.474 0.484 7.941 1.00 0.00 C ATOM 0 H LEU A 126 -0.633 3.205 6.411 1.00 0.00 H new ATOM 0 HA LEU A 126 0.277 0.598 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.376 2.294 8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.011 0.596 8.605 1.00 0.00 H new ATOM 0 HG LEU A 126 1.885 2.321 7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.082 2.850 9.119 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.452 3.565 9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.767 2.103 10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.535 0.732 7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.238 -0.099 8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.237 -0.100 7.052 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.700 0.731 7.422 1.00 0.00 N ATOM 1937 CA ASN A 127 -3.919 -0.034 7.661 1.00 0.00 C ATOM 1938 C ASN A 127 -4.226 -0.950 6.481 1.00 0.00 C ATOM 1939 O ASN A 127 -4.780 -2.036 6.653 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.097 0.910 7.909 1.00 0.00 C ATOM 1941 CG ASN A 127 -5.234 1.292 9.370 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -4.241 1.429 10.084 1.00 0.00 O ATOM 1943 ND2 ASN A 127 -6.471 1.467 9.822 1.00 0.00 N ATOM 0 H ASN A 127 -2.714 1.677 7.802 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.764 -0.651 8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -4.968 1.812 7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -6.018 0.433 7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -6.626 1.725 10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -7.266 1.343 9.195 1.00 0.00 H new ATOM 1950 N ALA A 128 -3.861 -0.506 5.283 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.095 -1.287 4.075 1.00 0.00 C ATOM 1952 C ALA A 128 -3.205 -2.524 4.040 1.00 0.00 C ATOM 1953 O ALA A 128 -3.694 -3.653 3.974 1.00 0.00 O ATOM 1954 CB ALA A 128 -3.861 -0.431 2.839 1.00 0.00 C ATOM 0 H ALA A 128 -3.402 0.391 5.123 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.133 -1.619 4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.039 -1.027 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.543 0.419 2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.832 -0.070 2.836 1.00 0.00 H new ATOM 1960 N THR A 129 -1.894 -2.306 4.084 1.00 0.00 N ATOM 1961 CA THR A 129 -0.935 -3.403 4.055 1.00 0.00 C ATOM 1962 C THR A 129 -1.271 -4.455 5.107 1.00 0.00 C ATOM 1963 O THR A 129 -1.141 -5.653 4.862 1.00 0.00 O ATOM 1964 CB THR A 129 0.501 -2.900 4.290 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.604 -2.297 5.585 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.903 -1.893 3.223 1.00 0.00 C ATOM 0 H THR A 129 -1.472 -1.379 4.140 1.00 0.00 H new ATOM 0 HA THR A 129 -0.998 -3.851 3.063 1.00 0.00 H new ATOM 0 HB THR A 129 1.175 -3.755 4.233 1.00 0.00 H new ATOM 0 HG1 THR A 129 1.052 -2.915 6.199 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.921 -1.552 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.852 -2.364 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.224 -1.041 3.252 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.705 -3.997 6.277 1.00 0.00 N ATOM 1975 CA GLU A 130 -2.060 -4.901 7.366 1.00 0.00 C ATOM 1976 C GLU A 130 -3.319 -5.693 7.027 1.00 0.00 C ATOM 1977 O GLU A 130 -3.568 -6.756 7.595 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.271 -4.115 8.661 1.00 0.00 C ATOM 1979 CG GLU A 130 -0.978 -3.642 9.304 1.00 0.00 C ATOM 1980 CD GLU A 130 -0.086 -2.891 8.335 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -0.268 -1.665 8.188 1.00 0.00 O ATOM 1982 OE2 GLU A 130 0.796 -3.531 7.724 1.00 0.00 O ATOM 0 H GLU A 130 -1.819 -3.007 6.495 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.238 -5.603 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -2.901 -3.250 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.813 -4.740 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.212 -2.997 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.437 -4.502 9.698 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.110 -5.166 6.099 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.344 -5.823 5.684 1.00 0.00 C ATOM 1991 C TRP A 131 -5.080 -6.820 4.561 1.00 0.00 C ATOM 1992 O TRP A 131 -5.878 -7.727 4.322 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.371 -4.785 5.229 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.688 -5.384 4.838 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -8.841 -5.377 5.570 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -7.986 -6.078 3.623 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -9.838 -6.026 4.883 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.340 -6.465 3.685 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -7.243 -6.410 2.487 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -9.961 -7.166 2.655 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -7.862 -7.106 1.466 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -9.210 -7.477 1.555 1.00 0.00 C ATOM 0 H TRP A 131 -3.919 -4.286 5.620 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.742 -6.367 6.541 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.531 -4.066 6.033 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -5.966 -4.231 4.382 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -8.953 -4.927 6.546 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.794 -6.159 5.212 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -6.204 -6.128 2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -11.000 -7.454 2.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -7.297 -7.368 0.584 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.665 -8.019 0.739 1.00 0.00 H new ATOM 2013 N VAL A 132 -3.954 -6.648 3.875 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.584 -7.534 2.778 1.00 0.00 C ATOM 2015 C VAL A 132 -2.923 -8.805 3.297 1.00 0.00 C ATOM 2016 O VAL A 132 -3.437 -9.907 3.104 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.628 -6.837 1.792 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.236 -7.784 0.668 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.264 -5.572 1.237 1.00 0.00 C ATOM 0 H VAL A 132 -3.282 -5.903 4.060 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.505 -7.794 2.257 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.723 -6.555 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.560 -7.274 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.737 -8.658 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.130 -8.100 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.574 -5.093 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.186 -5.827 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.488 -4.888 2.056 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.782 -8.645 3.958 1.00 0.00 N ATOM 2030 CA ARG A 133 -1.050 -9.781 4.506 1.00 0.00 C ATOM 2031 C ARG A 133 -2.009 -10.831 5.058 1.00 0.00 C ATOM 2032 O ARG A 133 -1.693 -12.020 5.085 1.00 0.00 O ATOM 2033 CB ARG A 133 -0.095 -9.316 5.608 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.802 -8.711 6.810 1.00 0.00 C ATOM 2035 CD ARG A 133 0.183 -8.350 7.911 1.00 0.00 C ATOM 2036 NE ARG A 133 -0.493 -8.029 9.166 1.00 0.00 N ATOM 2037 CZ ARG A 133 0.118 -7.479 10.209 1.00 0.00 C ATOM 2038 NH1 ARG A 133 1.411 -7.192 10.149 1.00 0.00 N ATOM 2039 NH2 ARG A 133 -0.565 -7.216 11.316 1.00 0.00 N ATOM 0 H ARG A 133 -1.344 -7.740 4.127 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.471 -10.232 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.505 -10.164 5.939 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.594 -8.580 5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.348 -7.819 6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.537 -9.418 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.869 -9.182 8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.784 -7.498 7.595 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.488 -8.239 9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.939 -7.394 9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.877 -6.770 10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.560 -7.436 11.366 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -0.095 -6.794 12.117 1.00 0.00 H new ATOM 2053 N GLU A 134 -3.181 -10.382 5.498 1.00 0.00 N ATOM 2054 CA GLU A 134 -4.185 -11.283 6.050 1.00 0.00 C ATOM 2055 C GLU A 134 -5.072 -11.852 4.946 1.00 0.00 C ATOM 2056 O GLU A 134 -5.078 -13.059 4.699 1.00 0.00 O ATOM 2057 CB GLU A 134 -5.044 -10.553 7.084 1.00 0.00 C ATOM 2058 CG GLU A 134 -5.908 -11.480 7.922 1.00 0.00 C ATOM 2059 CD GLU A 134 -6.702 -10.740 8.981 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -7.180 -9.624 8.692 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -6.845 -11.279 10.098 1.00 0.00 O ATOM 0 H GLU A 134 -3.458 -9.400 5.483 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.666 -12.109 6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -4.393 -9.980 7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -5.686 -9.837 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -6.595 -12.019 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.274 -12.225 8.403 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.821 -10.975 4.286 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.712 -11.389 3.208 1.00 0.00 C ATOM 2070 C HIS A 135 -5.946 -12.156 2.134 1.00 0.00 C ATOM 2071 O HIS A 135 -6.326 -13.265 1.760 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.399 -10.171 2.590 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.677 -9.793 3.273 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -9.921 -10.112 2.772 1.00 0.00 N ATOM 2075 CD2 HIS A 135 -8.899 -9.121 4.427 1.00 0.00 C ATOM 2076 CE1 HIS A 135 -10.853 -9.650 3.586 1.00 0.00 C ATOM 2077 NE2 HIS A 135 -10.259 -9.045 4.599 1.00 0.00 N ATOM 0 H HIS A 135 -5.829 -9.973 4.479 1.00 0.00 H new ATOM 0 HA HIS A 135 -7.470 -12.049 3.630 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.715 -9.323 2.622 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.605 -10.375 1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -8.146 -8.719 5.089 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -11.919 -9.750 3.447 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -10.734 -8.595 5.382 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.867 -11.556 1.642 1.00 0.00 N ATOM 2087 CA ALA A 136 -4.048 -12.183 0.612 1.00 0.00 C ATOM 2088 C ALA A 136 -3.928 -13.685 0.845 1.00 0.00 C ATOM 2089 O ALA A 136 -4.433 -14.487 0.059 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.669 -11.541 0.571 1.00 0.00 C ATOM 0 H ALA A 136 -4.540 -10.637 1.940 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.537 -12.029 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -2.068 -12.019 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.769 -10.479 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.181 -11.665 1.538 1.00 0.00 H new ATOM 2096 N SER A 137 -3.256 -14.059 1.929 1.00 0.00 N ATOM 2097 CA SER A 137 -3.066 -15.466 2.262 1.00 0.00 C ATOM 2098 C SER A 137 -4.374 -16.239 2.125 1.00 0.00 C ATOM 2099 O SER A 137 -4.375 -17.431 1.824 1.00 0.00 O ATOM 2100 CB SER A 137 -2.525 -15.606 3.687 1.00 0.00 C ATOM 2101 OG SER A 137 -3.489 -15.194 4.641 1.00 0.00 O ATOM 0 H SER A 137 -2.834 -13.408 2.591 1.00 0.00 H new ATOM 0 HA SER A 137 -2.342 -15.884 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.245 -16.643 3.873 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.621 -15.007 3.797 1.00 0.00 H new ATOM 0 HG SER A 137 -3.930 -14.377 4.328 1.00 0.00 H new ATOM 2107 N GLY A 138 -5.488 -15.548 2.348 1.00 0.00 N ATOM 2108 CA GLY A 138 -6.788 -16.184 2.245 1.00 0.00 C ATOM 2109 C GLY A 138 -7.162 -16.512 0.813 1.00 0.00 C ATOM 2110 O GLY A 138 -7.669 -17.597 0.530 1.00 0.00 O ATOM 0 H GLY A 138 -5.513 -14.559 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.789 -17.100 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.545 -15.527 2.674 1.00 0.00 H new ATOM 2114 N TYR A 139 -6.912 -15.572 -0.091 1.00 0.00 N ATOM 2115 CA TYR A 139 -7.229 -15.765 -1.501 1.00 0.00 C ATOM 2116 C TYR A 139 -6.349 -16.850 -2.114 1.00 0.00 C ATOM 2117 O TYR A 139 -6.766 -17.562 -3.028 1.00 0.00 O ATOM 2118 CB TYR A 139 -7.051 -14.454 -2.269 1.00 0.00 C ATOM 2119 CG TYR A 139 -8.142 -13.442 -2.001 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.293 -13.409 -2.779 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -8.022 -12.518 -0.970 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.292 -12.486 -2.538 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -9.017 -11.593 -0.721 1.00 0.00 C ATOM 2124 CZ TYR A 139 -10.150 -11.580 -1.507 1.00 0.00 C ATOM 2125 OH TYR A 139 -11.142 -10.659 -1.263 1.00 0.00 O ATOM 0 H TYR A 139 -6.491 -14.669 0.127 1.00 0.00 H new ATOM 0 HA TYR A 139 -8.269 -16.083 -1.573 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -6.088 -14.016 -2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -7.021 -14.670 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.408 -14.117 -3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -7.136 -12.523 -0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.180 -12.474 -3.153 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.908 -10.883 0.086 1.00 0.00 H new ATOM 0 HH TYR A 139 -10.886 -10.096 -0.502 1.00 0.00 H new ATOM 2135 N VAL A 140 -5.127 -16.970 -1.604 1.00 0.00 N ATOM 2136 CA VAL A 140 -4.187 -17.969 -2.099 1.00 0.00 C ATOM 2137 C VAL A 140 -4.239 -19.238 -1.255 1.00 0.00 C ATOM 2138 O VAL A 140 -3.841 -19.238 -0.091 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.745 -17.428 -2.104 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -2.378 -16.900 -3.483 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -2.578 -16.345 -1.048 1.00 0.00 C ATOM 0 H VAL A 140 -4.765 -16.388 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.483 -18.204 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.067 -18.247 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -1.356 -16.522 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -2.456 -17.705 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -3.059 -16.094 -3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.553 -15.974 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.264 -15.524 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.797 -16.760 -0.064 1.00 0.00 H new