USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 800 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 11 ASN : amide:sc= 0 X(o=0.41,f=0.36) USER MOD Set 1.2: B 28 LYS NZ :NH3+ -158:sc= 0.406 (180deg=0.144) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.36 K(o=-7.4,f=-18!) USER MOD Set 2.2: B 26 GLN : amide:sc= -3.6! C(o=-7.4!,f=-8!) USER MOD Set 2.3: B 55 GLN : amide:sc= -1.44 K(o=-7.4,f=-12!) USER MOD Set 3.1: A 28 ASN : amide:sc= -2.44! C(o=-2.4!,f=-3.3!) USER MOD Set 3.2: B 10 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 23 ASN : amide:sc= -0.465 K(o=1.5,f=-5.4!) USER MOD Set 4.2: A 26 GLN : amide:sc= 0.998 K(o=1.5,f=-2.1) USER MOD Set 4.3: A 55 GLN : amide:sc= 0.933 K(o=1.5,f=-5.5!) USER MOD Set 5.1: A 14 TYR OH : rot 149:sc= -0.606! USER MOD Set 5.2: A 18 HIS : no HD1:sc= -17.9! C(o=-19!,f=-24!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 7 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.0359) USER MOD Single : A 9 GLN : amide:sc= -1.82! C(o=-1.8!,f=-3.3!) USER MOD Single : A 10 GLN : amide:sc= -1.01 K(o=-1,f=-3!) USER MOD Single : A 21 ASN : amide:sc= -0.964 K(o=-0.96,f=-1.6) USER MOD Single : A 32 GLN : amide:sc= -0.695 K(o=-0.69,f=-2.2!) USER MOD Single : A 33 SER OG : rot 14:sc= 0.679 USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= 0.276 (180deg=-0.143) USER MOD Single : A 39 SER OG : rot -30:sc= 0.327 USER MOD Single : A 40 GLN : amide:sc=-0.00824 X(o=-0.0082,f=-0.0082) USER MOD Single : A 41 SER OG : rot -96:sc= 0.692 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.571 K(o=-0.57,f=-8.5!) USER MOD Single : B 6 ASN : amide:sc= -2.35! C(o=-2.4!,f=-3.9!) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -98:sc= 1.29 USER MOD Single : B 21 ASN : amide:sc= -3.48! C(o=-3.5!,f=-4.6!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot -28:sc= -0.437! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot -92:sc= 0.357 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -171:sc= -0.0226 (180deg=-0.112) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 ASN : amide:sc= -4.73! C(o=-4.7!,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 3.890 -14.304 6.387 1.00 0.00 N ATOM 68 CA PHE A 5 4.174 -13.441 5.187 1.00 0.00 C ATOM 69 C PHE A 5 2.890 -12.844 4.592 1.00 0.00 C ATOM 70 O PHE A 5 2.931 -11.761 4.043 1.00 0.00 O ATOM 71 CB PHE A 5 4.872 -14.345 4.154 1.00 0.00 C ATOM 72 CG PHE A 5 6.236 -14.817 4.651 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.980 -14.055 5.574 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.756 -16.028 4.179 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.228 -14.508 6.013 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.007 -16.478 4.617 1.00 0.00 C ATOM 77 CZ PHE A 5 8.742 -15.719 5.535 1.00 0.00 C ATOM 0 HA PHE A 5 4.800 -12.596 5.473 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.243 -15.209 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.994 -13.801 3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.586 -13.120 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.189 -16.618 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.796 -13.923 6.721 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.405 -17.411 4.247 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.706 -16.068 5.875 1.00 0.00 H new ATOM 87 N ASN A 6 1.759 -13.531 4.696 1.00 0.00 N ATOM 88 CA ASN A 6 0.469 -12.987 4.127 1.00 0.00 C ATOM 89 C ASN A 6 0.216 -11.552 4.620 1.00 0.00 C ATOM 90 O ASN A 6 0.044 -10.653 3.816 1.00 0.00 O ATOM 91 CB ASN A 6 -0.638 -13.930 4.626 1.00 0.00 C ATOM 92 CG ASN A 6 -0.561 -15.266 3.876 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.202 -16.138 4.244 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.323 -15.466 2.832 1.00 0.00 N ATOM 0 H ASN A 6 1.677 -14.441 5.149 1.00 0.00 H new ATOM 0 HA ASN A 6 0.502 -12.944 3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.530 -14.097 5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.615 -13.472 4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.276 -16.352 2.329 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.964 -14.736 2.521 1.00 0.00 H new ATOM 101 N LYS A 7 0.242 -11.320 5.926 1.00 0.00 N ATOM 102 CA LYS A 7 0.043 -9.922 6.437 1.00 0.00 C ATOM 103 C LYS A 7 1.363 -9.138 6.447 1.00 0.00 C ATOM 104 O LYS A 7 1.330 -7.941 6.322 1.00 0.00 O ATOM 105 CB LYS A 7 -0.554 -10.014 7.834 1.00 0.00 C ATOM 106 CG LYS A 7 -0.537 -8.630 8.486 1.00 0.00 C ATOM 107 CD LYS A 7 -1.056 -8.750 9.900 1.00 0.00 C ATOM 108 CE LYS A 7 -0.808 -7.440 10.664 1.00 0.00 C ATOM 109 NZ LYS A 7 0.609 -7.510 11.147 1.00 0.00 N ATOM 0 H LYS A 7 0.390 -12.030 6.643 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.634 -9.379 5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.576 -10.391 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.015 -10.720 8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.476 -8.227 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.155 -7.937 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.122 -8.977 9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.561 -9.577 10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.958 -6.576 10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.501 -7.337 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.618 -7.676 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.102 -8.289 10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.092 -6.613 10.937 1.00 0.00 H new ATOM 123 N GLU A 8 2.519 -9.778 6.568 1.00 0.00 N ATOM 124 CA GLU A 8 3.805 -8.988 6.522 1.00 0.00 C ATOM 125 C GLU A 8 3.852 -8.267 5.180 1.00 0.00 C ATOM 126 O GLU A 8 4.200 -7.111 5.112 1.00 0.00 O ATOM 127 CB GLU A 8 4.978 -9.965 6.625 1.00 0.00 C ATOM 128 CG GLU A 8 5.121 -10.497 8.055 1.00 0.00 C ATOM 129 CD GLU A 8 5.292 -9.338 9.050 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.256 -8.596 8.921 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.447 -9.205 9.921 1.00 0.00 O ATOM 0 H GLU A 8 2.624 -10.785 6.693 1.00 0.00 H new ATOM 0 HA GLU A 8 3.862 -8.269 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.826 -10.796 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.899 -9.467 6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.241 -11.084 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.980 -11.165 8.116 1.00 0.00 H new ATOM 138 N GLN A 9 3.418 -8.941 4.126 1.00 0.00 N ATOM 139 CA GLN A 9 3.328 -8.294 2.789 1.00 0.00 C ATOM 140 C GLN A 9 2.272 -7.178 2.872 1.00 0.00 C ATOM 141 O GLN A 9 2.452 -6.117 2.342 1.00 0.00 O ATOM 142 CB GLN A 9 2.857 -9.372 1.810 1.00 0.00 C ATOM 143 CG GLN A 9 3.932 -10.421 1.547 1.00 0.00 C ATOM 144 CD GLN A 9 3.316 -11.544 0.707 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.753 -12.477 1.239 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.393 -11.491 -0.599 1.00 0.00 N ATOM 0 H GLN A 9 3.124 -9.917 4.149 1.00 0.00 H new ATOM 0 HA GLN A 9 4.281 -7.872 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.967 -9.859 2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.570 -8.905 0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.777 -9.975 1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.314 -10.817 2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.866 -10.708 -1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.980 -12.233 -1.165 1.00 0.00 H new ATOM 155 N GLN A 10 1.182 -7.433 3.577 1.00 0.00 N ATOM 156 CA GLN A 10 0.088 -6.414 3.774 1.00 0.00 C ATOM 157 C GLN A 10 0.613 -5.213 4.566 1.00 0.00 C ATOM 158 O GLN A 10 0.396 -4.082 4.184 1.00 0.00 O ATOM 159 CB GLN A 10 -0.983 -7.162 4.574 1.00 0.00 C ATOM 160 CG GLN A 10 -2.339 -6.986 3.901 1.00 0.00 C ATOM 161 CD GLN A 10 -2.985 -8.354 3.631 1.00 0.00 C ATOM 162 OE1 GLN A 10 -2.305 -9.327 3.380 1.00 0.00 O ATOM 163 NE2 GLN A 10 -4.281 -8.476 3.691 1.00 0.00 N ATOM 0 H GLN A 10 1.003 -8.327 4.034 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.295 -6.020 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.731 -8.221 4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.020 -6.782 5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.992 -6.387 4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.219 -6.442 2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.861 -7.663 3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.716 -9.384 3.528 1.00 0.00 H new ATOM 172 N ASN A 11 1.314 -5.463 5.654 1.00 0.00 N ATOM 173 CA ASN A 11 1.886 -4.355 6.480 1.00 0.00 C ATOM 174 C ASN A 11 3.009 -3.670 5.700 1.00 0.00 C ATOM 175 O ASN A 11 3.074 -2.467 5.655 1.00 0.00 O ATOM 176 CB ASN A 11 2.448 -5.020 7.743 1.00 0.00 C ATOM 177 CG ASN A 11 2.685 -3.955 8.819 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.755 -3.500 9.453 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.898 -3.528 9.044 1.00 0.00 N ATOM 0 H ASN A 11 1.513 -6.400 6.004 1.00 0.00 H new ATOM 0 HA ASN A 11 1.140 -3.600 6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.752 -5.774 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.382 -5.533 7.512 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.064 -2.813 9.752 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.680 -3.910 8.512 1.00 0.00 H new ATOM 186 N ALA A 12 3.875 -4.442 5.067 1.00 0.00 N ATOM 187 CA ALA A 12 4.983 -3.844 4.257 1.00 0.00 C ATOM 188 C ALA A 12 4.381 -3.065 3.088 1.00 0.00 C ATOM 189 O ALA A 12 4.790 -1.962 2.813 1.00 0.00 O ATOM 190 CB ALA A 12 5.814 -5.012 3.734 1.00 0.00 C ATOM 0 H ALA A 12 3.856 -5.462 5.081 1.00 0.00 H new ATOM 0 HA ALA A 12 5.596 -3.162 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.640 -4.631 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.209 -5.582 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.187 -5.658 3.120 1.00 0.00 H new ATOM 196 N PHE A 13 3.377 -3.630 2.441 1.00 0.00 N ATOM 197 CA PHE A 13 2.673 -2.931 1.317 1.00 0.00 C ATOM 198 C PHE A 13 2.105 -1.627 1.862 1.00 0.00 C ATOM 199 O PHE A 13 2.410 -0.555 1.381 1.00 0.00 O ATOM 200 CB PHE A 13 1.531 -3.891 0.903 1.00 0.00 C ATOM 201 CG PHE A 13 0.540 -3.186 0.025 1.00 0.00 C ATOM 202 CD1 PHE A 13 0.965 -2.609 -1.167 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.812 -3.124 0.392 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.061 -1.980 -1.983 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.721 -2.489 -0.436 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.285 -1.923 -1.617 1.00 0.00 C ATOM 0 H PHE A 13 3.015 -4.560 2.652 1.00 0.00 H new ATOM 0 HA PHE A 13 3.319 -2.699 0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.945 -4.751 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.030 -4.273 1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.006 -2.657 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.143 -3.570 1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.390 -1.529 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.764 -2.437 -0.160 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.994 -1.430 -2.266 1.00 0.00 H new ATOM 216 N TYR A 14 1.306 -1.747 2.895 1.00 0.00 N ATOM 217 CA TYR A 14 0.692 -0.570 3.562 1.00 0.00 C ATOM 218 C TYR A 14 1.761 0.461 3.937 1.00 0.00 C ATOM 219 O TYR A 14 1.692 1.599 3.526 1.00 0.00 O ATOM 220 CB TYR A 14 0.068 -1.174 4.810 1.00 0.00 C ATOM 221 CG TYR A 14 -0.610 -0.117 5.613 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.850 0.359 5.215 1.00 0.00 C ATOM 223 CD2 TYR A 14 -0.001 0.377 6.766 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.488 1.310 5.953 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.641 1.351 7.523 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.892 1.821 7.122 1.00 0.00 C ATOM 227 OH TYR A 14 -2.536 2.803 7.856 1.00 0.00 O ATOM 0 H TYR A 14 1.050 -2.643 3.311 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.024 -0.042 2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.651 -1.944 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.837 -1.660 5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.311 -0.025 4.317 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.966 0.004 7.070 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.456 1.674 5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.174 1.741 8.415 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.305 2.708 8.804 1.00 0.00 H new ATOM 237 N GLU A 15 2.762 0.053 4.693 1.00 0.00 N ATOM 238 CA GLU A 15 3.855 0.993 5.096 1.00 0.00 C ATOM 239 C GLU A 15 4.536 1.565 3.847 1.00 0.00 C ATOM 240 O GLU A 15 4.746 2.751 3.780 1.00 0.00 O ATOM 241 CB GLU A 15 4.831 0.169 5.946 1.00 0.00 C ATOM 242 CG GLU A 15 4.192 -0.208 7.302 1.00 0.00 C ATOM 243 CD GLU A 15 3.818 1.056 8.094 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.704 1.850 8.372 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.652 1.200 8.419 1.00 0.00 O ATOM 0 H GLU A 15 2.864 -0.898 5.048 1.00 0.00 H new ATOM 0 HA GLU A 15 3.479 1.843 5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.115 -0.736 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.744 0.739 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.302 -0.815 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.888 -0.815 7.882 1.00 0.00 H new ATOM 252 N ILE A 16 4.818 0.745 2.835 1.00 0.00 N ATOM 253 CA ILE A 16 5.426 1.280 1.553 1.00 0.00 C ATOM 254 C ILE A 16 4.557 2.430 1.029 1.00 0.00 C ATOM 255 O ILE A 16 5.048 3.511 0.759 1.00 0.00 O ATOM 256 CB ILE A 16 5.458 0.070 0.580 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.767 -0.678 0.842 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.383 0.500 -0.903 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.642 -2.129 0.404 1.00 0.00 C ATOM 0 H ILE A 16 4.654 -0.262 2.845 1.00 0.00 H new ATOM 0 HA ILE A 16 6.430 1.685 1.683 1.00 0.00 H new ATOM 0 HB ILE A 16 4.587 -0.560 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.583 -0.197 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.015 -0.631 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.409 -0.384 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.456 1.046 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.232 1.142 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.580 -2.649 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.839 -2.610 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.416 -2.169 -0.662 1.00 0.00 H new ATOM 271 N LEU A 17 3.270 2.194 0.925 1.00 0.00 N ATOM 272 CA LEU A 17 2.310 3.259 0.455 1.00 0.00 C ATOM 273 C LEU A 17 2.276 4.459 1.421 1.00 0.00 C ATOM 274 O LEU A 17 2.213 5.597 0.987 1.00 0.00 O ATOM 275 CB LEU A 17 0.937 2.585 0.434 1.00 0.00 C ATOM 276 CG LEU A 17 0.921 1.484 -0.618 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.206 0.275 -0.076 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.158 1.925 -1.841 1.00 0.00 C ATOM 0 H LEU A 17 2.834 1.299 1.147 1.00 0.00 H new ATOM 0 HA LEU A 17 2.609 3.646 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.711 2.167 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.163 3.321 0.216 1.00 0.00 H new ATOM 0 HG LEU A 17 1.956 1.257 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.196 -0.511 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.722 -0.084 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.819 0.543 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.159 1.123 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.869 2.161 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.632 2.810 -2.266 1.00 0.00 H new ATOM 290 N HIS A 18 2.303 4.211 2.722 1.00 0.00 N ATOM 291 CA HIS A 18 2.257 5.338 3.719 1.00 0.00 C ATOM 292 C HIS A 18 3.633 6.047 3.864 1.00 0.00 C ATOM 293 O HIS A 18 3.687 7.158 4.366 1.00 0.00 O ATOM 294 CB HIS A 18 1.870 4.721 5.078 1.00 0.00 C ATOM 295 CG HIS A 18 0.402 4.413 5.137 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.568 5.361 5.479 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.297 3.268 4.885 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.765 4.738 5.401 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.635 3.510 5.036 1.00 0.00 N ATOM 0 H HIS A 18 2.355 3.278 3.131 1.00 0.00 H new ATOM 0 HA HIS A 18 1.539 6.086 3.382 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.442 3.808 5.242 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.132 5.410 5.881 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.138 2.319 4.609 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.712 5.211 5.618 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.390 2.841 4.887 1.00 0.00 H new ATOM 307 N LEU A 19 4.745 5.406 3.473 1.00 0.00 N ATOM 308 CA LEU A 19 6.115 6.042 3.634 1.00 0.00 C ATOM 309 C LEU A 19 6.139 7.442 2.979 1.00 0.00 C ATOM 310 O LEU A 19 5.876 7.571 1.793 1.00 0.00 O ATOM 311 CB LEU A 19 7.133 5.108 2.937 1.00 0.00 C ATOM 312 CG LEU A 19 7.568 3.943 3.858 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.502 3.007 3.079 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.312 4.466 5.101 1.00 0.00 C ATOM 0 H LEU A 19 4.754 4.476 3.053 1.00 0.00 H new ATOM 0 HA LEU A 19 6.361 6.167 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.692 4.705 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.010 5.683 2.640 1.00 0.00 H new ATOM 0 HG LEU A 19 6.674 3.411 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.812 2.184 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.977 2.610 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.381 3.561 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.606 3.625 5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.201 5.014 4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.656 5.129 5.665 1.00 0.00 H new ATOM 326 N PRO A 20 6.426 8.454 3.790 1.00 0.00 N ATOM 327 CA PRO A 20 6.450 9.871 3.308 1.00 0.00 C ATOM 328 C PRO A 20 7.580 10.185 2.299 1.00 0.00 C ATOM 329 O PRO A 20 7.516 11.208 1.638 1.00 0.00 O ATOM 330 CB PRO A 20 6.641 10.684 4.590 1.00 0.00 C ATOM 331 CG PRO A 20 7.295 9.743 5.545 1.00 0.00 C ATOM 332 CD PRO A 20 6.751 8.380 5.231 1.00 0.00 C ATOM 0 HA PRO A 20 5.538 10.102 2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.262 11.562 4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.687 11.041 4.978 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.379 9.765 5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.077 10.021 6.576 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.484 7.600 5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.868 8.154 5.829 1.00 0.00 H new ATOM 340 N ASN A 21 8.610 9.356 2.166 1.00 0.00 N ATOM 341 CA ASN A 21 9.703 9.686 1.191 1.00 0.00 C ATOM 342 C ASN A 21 9.773 8.681 0.029 1.00 0.00 C ATOM 343 O ASN A 21 10.614 8.822 -0.845 1.00 0.00 O ATOM 344 CB ASN A 21 10.992 9.703 2.017 1.00 0.00 C ATOM 345 CG ASN A 21 10.996 10.935 2.933 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.918 12.054 2.464 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.080 10.781 4.226 1.00 0.00 N ATOM 0 H ASN A 21 8.732 8.485 2.683 1.00 0.00 H new ATOM 0 HA ASN A 21 9.525 10.647 0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.067 8.793 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.859 9.724 1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.080 11.597 4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.146 9.845 4.625 1.00 0.00 H new ATOM 354 N LEU A 22 8.870 7.707 -0.037 1.00 0.00 N ATOM 355 CA LEU A 22 8.885 6.769 -1.203 1.00 0.00 C ATOM 356 C LEU A 22 8.176 7.456 -2.369 1.00 0.00 C ATOM 357 O LEU A 22 7.250 8.227 -2.175 1.00 0.00 O ATOM 358 CB LEU A 22 8.118 5.484 -0.800 1.00 0.00 C ATOM 359 CG LEU A 22 9.002 4.507 0.012 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.495 3.075 -0.184 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.458 4.560 -0.450 1.00 0.00 C ATOM 0 H LEU A 22 8.143 7.533 0.657 1.00 0.00 H new ATOM 0 HA LEU A 22 9.903 6.509 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.242 5.755 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.755 4.983 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 22 8.947 4.802 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.118 2.387 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.464 3.004 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.542 2.814 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.053 3.862 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.516 4.285 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.846 5.570 -0.317 1.00 0.00 H new ATOM 373 N ASN A 23 8.603 7.177 -3.567 1.00 0.00 N ATOM 374 CA ASN A 23 7.957 7.799 -4.776 1.00 0.00 C ATOM 375 C ASN A 23 7.223 6.725 -5.567 1.00 0.00 C ATOM 376 O ASN A 23 7.255 5.566 -5.217 1.00 0.00 O ATOM 377 CB ASN A 23 9.071 8.454 -5.631 1.00 0.00 C ATOM 378 CG ASN A 23 10.371 7.631 -5.618 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.484 6.645 -6.311 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.360 7.995 -4.844 1.00 0.00 N ATOM 0 H ASN A 23 9.375 6.543 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 23 7.231 8.558 -4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.722 8.563 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.274 9.457 -5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.221 7.449 -4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.270 8.825 -4.258 1.00 0.00 H new ATOM 387 N GLU A 24 6.565 7.100 -6.634 1.00 0.00 N ATOM 388 CA GLU A 24 5.825 6.083 -7.459 1.00 0.00 C ATOM 389 C GLU A 24 6.804 5.021 -7.993 1.00 0.00 C ATOM 390 O GLU A 24 6.458 3.866 -8.090 1.00 0.00 O ATOM 391 CB GLU A 24 5.161 6.870 -8.606 1.00 0.00 C ATOM 392 CG GLU A 24 3.736 7.342 -8.219 1.00 0.00 C ATOM 393 CD GLU A 24 3.663 7.796 -6.748 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.979 8.943 -6.482 1.00 0.00 O ATOM 395 OE2 GLU A 24 3.287 6.985 -5.915 1.00 0.00 O ATOM 0 H GLU A 24 6.505 8.060 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 24 5.075 5.548 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.775 7.734 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.109 6.243 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.437 8.165 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.027 6.531 -8.385 1.00 0.00 H new ATOM 402 N GLU A 25 8.033 5.394 -8.299 1.00 0.00 N ATOM 403 CA GLU A 25 9.032 4.381 -8.785 1.00 0.00 C ATOM 404 C GLU A 25 9.376 3.387 -7.651 1.00 0.00 C ATOM 405 O GLU A 25 9.402 2.191 -7.864 1.00 0.00 O ATOM 406 CB GLU A 25 10.272 5.194 -9.194 1.00 0.00 C ATOM 407 CG GLU A 25 11.330 4.271 -9.815 1.00 0.00 C ATOM 408 CD GLU A 25 12.631 5.053 -10.038 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.278 5.389 -9.056 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.963 5.295 -11.186 1.00 0.00 O ATOM 0 H GLU A 25 8.383 6.350 -8.233 1.00 0.00 H new ATOM 0 HA GLU A 25 8.648 3.791 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.989 5.967 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.687 5.701 -8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.514 3.420 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.967 3.872 -10.762 1.00 0.00 H new ATOM 417 N GLN A 26 9.630 3.882 -6.448 1.00 0.00 N ATOM 418 CA GLN A 26 9.979 2.977 -5.291 1.00 0.00 C ATOM 419 C GLN A 26 8.729 2.330 -4.678 1.00 0.00 C ATOM 420 O GLN A 26 8.647 1.127 -4.584 1.00 0.00 O ATOM 421 CB GLN A 26 10.687 3.879 -4.266 1.00 0.00 C ATOM 422 CG GLN A 26 12.208 3.679 -4.369 1.00 0.00 C ATOM 423 CD GLN A 26 12.735 4.183 -5.722 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.502 3.578 -6.748 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.461 5.262 -5.762 1.00 0.00 N ATOM 0 H GLN A 26 9.610 4.876 -6.220 1.00 0.00 H new ATOM 0 HA GLN A 26 10.612 2.150 -5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.434 4.923 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.346 3.640 -3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.705 4.212 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.449 2.623 -4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.660 5.775 -4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.831 5.595 -6.652 1.00 0.00 H new ATOM 434 N ARG A 27 7.770 3.121 -4.265 1.00 0.00 N ATOM 435 CA ARG A 27 6.510 2.579 -3.634 1.00 0.00 C ATOM 436 C ARG A 27 5.811 1.527 -4.529 1.00 0.00 C ATOM 437 O ARG A 27 5.397 0.490 -4.050 1.00 0.00 O ATOM 438 CB ARG A 27 5.601 3.806 -3.526 1.00 0.00 C ATOM 439 CG ARG A 27 4.589 3.659 -2.397 1.00 0.00 C ATOM 440 CD ARG A 27 4.473 4.995 -1.643 1.00 0.00 C ATOM 441 NE ARG A 27 4.089 6.017 -2.669 1.00 0.00 N ATOM 442 CZ ARG A 27 4.350 7.290 -2.478 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.154 7.844 -1.301 1.00 0.00 N ATOM 444 NH2 ARG A 27 4.786 8.017 -3.477 1.00 0.00 N ATOM 0 H ARG A 27 7.801 4.138 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 27 6.726 2.086 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.208 4.695 -3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.075 3.954 -4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.618 3.369 -2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.900 2.868 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.724 4.934 -0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.417 5.257 -1.166 1.00 0.00 H new ATOM 0 HE ARG A 27 3.620 5.721 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.796 7.284 -0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.360 8.833 -1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.921 7.594 -4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.991 9.006 -3.337 1.00 0.00 H new ATOM 458 N ASN A 28 5.660 1.807 -5.820 1.00 0.00 N ATOM 459 CA ASN A 28 4.953 0.842 -6.743 1.00 0.00 C ATOM 460 C ASN A 28 5.848 -0.353 -7.085 1.00 0.00 C ATOM 461 O ASN A 28 5.397 -1.483 -7.042 1.00 0.00 O ATOM 462 CB ASN A 28 4.602 1.631 -8.012 1.00 0.00 C ATOM 463 CG ASN A 28 3.692 2.836 -7.679 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.062 2.885 -6.637 1.00 0.00 O ATOM 465 ND2 ASN A 28 3.591 3.817 -8.532 1.00 0.00 N ATOM 0 H ASN A 28 5.996 2.660 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 28 4.060 0.438 -6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.516 1.982 -8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.100 0.977 -8.724 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.990 4.614 -8.324 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.113 3.787 -9.408 1.00 0.00 H new ATOM 472 N ALA A 29 7.114 -0.121 -7.398 1.00 0.00 N ATOM 473 CA ALA A 29 8.041 -1.270 -7.706 1.00 0.00 C ATOM 474 C ALA A 29 8.166 -2.176 -6.472 1.00 0.00 C ATOM 475 O ALA A 29 8.312 -3.379 -6.590 1.00 0.00 O ATOM 476 CB ALA A 29 9.382 -0.642 -8.040 1.00 0.00 C ATOM 0 H ALA A 29 7.539 0.805 -7.452 1.00 0.00 H new ATOM 0 HA ALA A 29 7.675 -1.883 -8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.103 -1.426 -8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.271 0.017 -8.901 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.737 -0.066 -7.185 1.00 0.00 H new ATOM 482 N PHE A 30 8.066 -1.596 -5.291 1.00 0.00 N ATOM 483 CA PHE A 30 8.119 -2.391 -4.024 1.00 0.00 C ATOM 484 C PHE A 30 6.936 -3.339 -3.972 1.00 0.00 C ATOM 485 O PHE A 30 7.080 -4.494 -3.665 1.00 0.00 O ATOM 486 CB PHE A 30 8.001 -1.362 -2.917 1.00 0.00 C ATOM 487 CG PHE A 30 9.381 -0.969 -2.483 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.412 -0.701 -3.410 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.636 -0.898 -1.139 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.684 -0.367 -2.947 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.890 -0.582 -0.697 1.00 0.00 C ATOM 492 CZ PHE A 30 11.913 -0.318 -1.584 1.00 0.00 C ATOM 0 H PHE A 30 7.948 -0.592 -5.156 1.00 0.00 H new ATOM 0 HA PHE A 30 9.028 -2.986 -3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.452 -0.489 -3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.442 -1.773 -2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.216 -0.754 -4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.846 -1.092 -0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.480 -0.149 -3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.083 -0.538 0.365 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.897 -0.072 -1.212 1.00 0.00 H new ATOM 502 N ILE A 31 5.779 -2.848 -4.331 1.00 0.00 N ATOM 503 CA ILE A 31 4.550 -3.697 -4.391 1.00 0.00 C ATOM 504 C ILE A 31 4.774 -4.817 -5.430 1.00 0.00 C ATOM 505 O ILE A 31 4.242 -5.889 -5.277 1.00 0.00 O ATOM 506 CB ILE A 31 3.449 -2.703 -4.761 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.242 -1.769 -3.570 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.151 -3.426 -5.068 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.480 -0.534 -3.999 1.00 0.00 C ATOM 0 H ILE A 31 5.630 -1.873 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 31 4.290 -4.216 -3.469 1.00 0.00 H new ATOM 0 HB ILE A 31 3.743 -2.144 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.694 -2.288 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.207 -1.483 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.382 -2.699 -5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.304 -4.108 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.833 -3.991 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.339 0.123 -3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.043 -0.008 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.508 -0.826 -4.396 1.00 0.00 H new ATOM 521 N GLN A 32 5.613 -4.603 -6.449 1.00 0.00 N ATOM 522 CA GLN A 32 5.909 -5.707 -7.433 1.00 0.00 C ATOM 523 C GLN A 32 6.790 -6.768 -6.736 1.00 0.00 C ATOM 524 O GLN A 32 6.474 -7.940 -6.750 1.00 0.00 O ATOM 525 CB GLN A 32 6.659 -5.063 -8.616 1.00 0.00 C ATOM 526 CG GLN A 32 5.786 -3.980 -9.268 1.00 0.00 C ATOM 527 CD GLN A 32 6.475 -3.431 -10.524 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.637 -3.071 -10.492 1.00 0.00 O ATOM 529 NE2 GLN A 32 5.802 -3.353 -11.640 1.00 0.00 N ATOM 0 H GLN A 32 6.093 -3.722 -6.630 1.00 0.00 H new ATOM 0 HA GLN A 32 5.001 -6.196 -7.788 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.595 -4.626 -8.269 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.917 -5.825 -9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.813 -4.396 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.607 -3.171 -8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.828 -3.654 -11.670 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.250 -2.991 -12.482 1.00 0.00 H new ATOM 538 N SER A 33 7.862 -6.343 -6.076 1.00 0.00 N ATOM 539 CA SER A 33 8.748 -7.304 -5.313 1.00 0.00 C ATOM 540 C SER A 33 8.003 -7.880 -4.087 1.00 0.00 C ATOM 541 O SER A 33 8.281 -8.978 -3.648 1.00 0.00 O ATOM 542 CB SER A 33 9.981 -6.487 -4.886 1.00 0.00 C ATOM 543 OG SER A 33 9.576 -5.280 -4.254 1.00 0.00 O ATOM 0 H SER A 33 8.159 -5.368 -6.035 1.00 0.00 H new ATOM 0 HA SER A 33 9.035 -8.160 -5.924 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.597 -7.074 -4.204 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.596 -6.261 -5.757 1.00 0.00 H new ATOM 0 HG SER A 33 8.624 -5.333 -4.027 1.00 0.00 H new ATOM 549 N LEU A 34 7.065 -7.131 -3.546 1.00 0.00 N ATOM 550 CA LEU A 34 6.273 -7.577 -2.354 1.00 0.00 C ATOM 551 C LEU A 34 5.130 -8.529 -2.773 1.00 0.00 C ATOM 552 O LEU A 34 4.947 -9.569 -2.166 1.00 0.00 O ATOM 553 CB LEU A 34 5.752 -6.251 -1.776 1.00 0.00 C ATOM 554 CG LEU A 34 5.030 -6.451 -0.445 1.00 0.00 C ATOM 555 CD1 LEU A 34 6.017 -6.806 0.650 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.339 -5.150 -0.073 1.00 0.00 C ATOM 0 H LEU A 34 6.811 -6.206 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 34 6.851 -8.149 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.586 -5.564 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.073 -5.786 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 34 4.309 -7.262 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.483 -6.944 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.535 -7.728 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.743 -6.001 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.817 -5.274 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.082 -4.358 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.622 -4.884 -0.849 1.00 0.00 H new ATOM 568 N LYS A 35 4.374 -8.185 -3.810 1.00 0.00 N ATOM 569 CA LYS A 35 3.246 -9.076 -4.283 1.00 0.00 C ATOM 570 C LYS A 35 3.808 -10.400 -4.841 1.00 0.00 C ATOM 571 O LYS A 35 3.179 -11.438 -4.714 1.00 0.00 O ATOM 572 CB LYS A 35 2.472 -8.279 -5.370 1.00 0.00 C ATOM 573 CG LYS A 35 1.360 -7.469 -4.724 1.00 0.00 C ATOM 574 CD LYS A 35 0.020 -7.851 -5.348 1.00 0.00 C ATOM 575 CE LYS A 35 -1.056 -7.887 -4.258 1.00 0.00 C ATOM 576 NZ LYS A 35 -0.746 -9.082 -3.405 1.00 0.00 N ATOM 0 H LYS A 35 4.492 -7.326 -4.347 1.00 0.00 H new ATOM 0 HA LYS A 35 2.577 -9.342 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.154 -7.616 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.053 -8.964 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.338 -7.654 -3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.546 -6.404 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.253 -7.132 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.096 -8.825 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.042 -6.972 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.051 -7.968 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.605 -9.380 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.411 -9.861 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.007 -8.834 -2.716 1.00 0.00 H new ATOM 590 N ASP A 36 4.989 -10.372 -5.440 1.00 0.00 N ATOM 591 CA ASP A 36 5.606 -11.626 -5.993 1.00 0.00 C ATOM 592 C ASP A 36 6.456 -12.369 -4.934 1.00 0.00 C ATOM 593 O ASP A 36 6.505 -13.588 -4.944 1.00 0.00 O ATOM 594 CB ASP A 36 6.477 -11.165 -7.174 1.00 0.00 C ATOM 595 CG ASP A 36 5.585 -10.861 -8.388 1.00 0.00 C ATOM 596 OD1 ASP A 36 5.088 -9.749 -8.478 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.410 -11.749 -9.204 1.00 0.00 O ATOM 0 H ASP A 36 5.549 -9.529 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 36 4.840 -12.337 -6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.044 -10.277 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.202 -11.939 -7.428 1.00 0.00 H new ATOM 602 N ASP A 37 7.122 -11.660 -4.030 1.00 0.00 N ATOM 603 CA ASP A 37 7.965 -12.348 -2.986 1.00 0.00 C ATOM 604 C ASP A 37 7.403 -12.104 -1.565 1.00 0.00 C ATOM 605 O ASP A 37 7.577 -11.030 -1.008 1.00 0.00 O ATOM 606 CB ASP A 37 9.375 -11.749 -3.125 1.00 0.00 C ATOM 607 CG ASP A 37 10.414 -12.740 -2.581 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.378 -13.021 -1.391 1.00 0.00 O ATOM 609 OD2 ASP A 37 11.227 -13.201 -3.362 1.00 0.00 O ATOM 0 H ASP A 37 7.115 -10.642 -3.975 1.00 0.00 H new ATOM 0 HA ASP A 37 7.971 -13.428 -3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.584 -11.526 -4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.436 -10.807 -2.580 1.00 0.00 H new ATOM 614 N PRO A 38 6.741 -13.119 -1.024 1.00 0.00 N ATOM 615 CA PRO A 38 6.147 -13.020 0.342 1.00 0.00 C ATOM 616 C PRO A 38 7.211 -13.010 1.465 1.00 0.00 C ATOM 617 O PRO A 38 7.067 -12.285 2.435 1.00 0.00 O ATOM 618 CB PRO A 38 5.282 -14.277 0.438 1.00 0.00 C ATOM 619 CG PRO A 38 5.903 -15.248 -0.506 1.00 0.00 C ATOM 620 CD PRO A 38 6.469 -14.436 -1.632 1.00 0.00 C ATOM 0 HA PRO A 38 5.598 -12.088 0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.268 -14.669 1.455 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.248 -14.066 0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.684 -15.825 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.164 -15.960 -0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.378 -14.886 -2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.764 -14.355 -2.459 1.00 0.00 H new ATOM 628 N SER A 39 8.251 -13.820 1.357 1.00 0.00 N ATOM 629 CA SER A 39 9.307 -13.872 2.440 1.00 0.00 C ATOM 630 C SER A 39 10.118 -12.567 2.537 1.00 0.00 C ATOM 631 O SER A 39 10.547 -12.198 3.616 1.00 0.00 O ATOM 632 CB SER A 39 10.215 -15.061 2.084 1.00 0.00 C ATOM 633 OG SER A 39 10.984 -14.763 0.921 1.00 0.00 O ATOM 0 H SER A 39 8.415 -14.446 0.568 1.00 0.00 H new ATOM 0 HA SER A 39 8.843 -13.993 3.419 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.878 -15.284 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.610 -15.951 1.910 1.00 0.00 H new ATOM 0 HG SER A 39 10.484 -14.145 0.348 1.00 0.00 H new ATOM 639 N GLN A 40 10.321 -11.861 1.438 1.00 0.00 N ATOM 640 CA GLN A 40 11.098 -10.577 1.502 1.00 0.00 C ATOM 641 C GLN A 40 10.184 -9.383 1.840 1.00 0.00 C ATOM 642 O GLN A 40 10.637 -8.262 1.810 1.00 0.00 O ATOM 643 CB GLN A 40 11.714 -10.391 0.103 1.00 0.00 C ATOM 644 CG GLN A 40 13.110 -9.766 0.230 1.00 0.00 C ATOM 645 CD GLN A 40 14.130 -10.848 0.600 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.565 -11.603 -0.246 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.532 -10.962 1.839 1.00 0.00 N ATOM 0 H GLN A 40 9.984 -12.119 0.510 1.00 0.00 H new ATOM 0 HA GLN A 40 11.857 -10.621 2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.781 -11.353 -0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.073 -9.752 -0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.393 -9.292 -0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.101 -8.986 0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.169 -10.330 2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.208 -11.683 2.092 1.00 0.00 H new ATOM 656 N SER A 41 8.908 -9.601 2.144 1.00 0.00 N ATOM 657 CA SER A 41 7.986 -8.447 2.445 1.00 0.00 C ATOM 658 C SER A 41 8.487 -7.584 3.611 1.00 0.00 C ATOM 659 O SER A 41 8.515 -6.374 3.486 1.00 0.00 O ATOM 660 CB SER A 41 6.622 -9.068 2.770 1.00 0.00 C ATOM 661 OG SER A 41 6.716 -9.884 3.935 1.00 0.00 O ATOM 0 H SER A 41 8.475 -10.523 2.195 1.00 0.00 H new ATOM 0 HA SER A 41 7.932 -7.773 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.884 -8.281 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.276 -9.665 1.926 1.00 0.00 H new ATOM 0 HG SER A 41 6.846 -10.819 3.670 1.00 0.00 H new ATOM 667 N ALA A 42 8.905 -8.165 4.725 1.00 0.00 N ATOM 668 CA ALA A 42 9.435 -7.300 5.842 1.00 0.00 C ATOM 669 C ALA A 42 10.673 -6.553 5.343 1.00 0.00 C ATOM 670 O ALA A 42 10.789 -5.360 5.531 1.00 0.00 O ATOM 671 CB ALA A 42 9.853 -8.228 6.949 1.00 0.00 C ATOM 0 H ALA A 42 8.903 -9.169 4.905 1.00 0.00 H new ATOM 0 HA ALA A 42 8.685 -6.585 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.245 -7.646 7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.992 -8.807 7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.626 -8.905 6.584 1.00 0.00 H new ATOM 677 N ASN A 43 11.569 -7.259 4.663 1.00 0.00 N ATOM 678 CA ASN A 43 12.787 -6.609 4.076 1.00 0.00 C ATOM 679 C ASN A 43 12.348 -5.506 3.130 1.00 0.00 C ATOM 680 O ASN A 43 12.985 -4.493 3.042 1.00 0.00 O ATOM 681 CB ASN A 43 13.495 -7.674 3.251 1.00 0.00 C ATOM 682 CG ASN A 43 14.816 -8.076 3.918 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.857 -8.031 3.295 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.823 -8.474 5.163 1.00 0.00 N ATOM 0 H ASN A 43 11.499 -8.262 4.494 1.00 0.00 H new ATOM 0 HA ASN A 43 13.428 -6.199 4.856 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.853 -8.548 3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.687 -7.297 2.247 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.700 -8.745 5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.951 -8.514 5.691 1.00 0.00 H new ATOM 691 N LEU A 44 11.248 -5.722 2.426 1.00 0.00 N ATOM 692 CA LEU A 44 10.723 -4.698 1.481 1.00 0.00 C ATOM 693 C LEU A 44 10.263 -3.493 2.239 1.00 0.00 C ATOM 694 O LEU A 44 10.569 -2.387 1.854 1.00 0.00 O ATOM 695 CB LEU A 44 9.578 -5.349 0.740 1.00 0.00 C ATOM 696 CG LEU A 44 10.185 -6.238 -0.314 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.086 -7.064 -0.947 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.891 -5.349 -1.334 1.00 0.00 C ATOM 0 H LEU A 44 10.695 -6.578 2.476 1.00 0.00 H new ATOM 0 HA LEU A 44 11.488 -4.362 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.957 -5.929 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.935 -4.596 0.285 1.00 0.00 H new ATOM 0 HG LEU A 44 10.916 -6.926 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.513 -7.712 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.603 -7.674 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.349 -6.402 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.340 -5.970 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.169 -4.670 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.670 -4.771 -0.836 1.00 0.00 H new ATOM 710 N LEU A 45 9.587 -3.680 3.342 1.00 0.00 N ATOM 711 CA LEU A 45 9.216 -2.483 4.130 1.00 0.00 C ATOM 712 C LEU A 45 10.503 -1.895 4.716 1.00 0.00 C ATOM 713 O LEU A 45 10.696 -0.713 4.674 1.00 0.00 O ATOM 714 CB LEU A 45 8.264 -2.932 5.211 1.00 0.00 C ATOM 715 CG LEU A 45 8.090 -1.812 6.234 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.768 -0.475 5.524 1.00 0.00 C ATOM 717 CD2 LEU A 45 6.969 -2.201 7.182 1.00 0.00 C ATOM 0 H LEU A 45 9.287 -4.580 3.717 1.00 0.00 H new ATOM 0 HA LEU A 45 8.728 -1.716 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.300 -3.194 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.647 -3.828 5.699 1.00 0.00 H new ATOM 0 HG LEU A 45 9.014 -1.672 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.647 0.312 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.584 -0.215 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.845 -0.579 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.828 -1.413 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.046 -2.338 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.227 -3.132 7.688 1.00 0.00 H new ATOM 729 N ALA A 46 11.391 -2.725 5.226 1.00 0.00 N ATOM 730 CA ALA A 46 12.699 -2.209 5.768 1.00 0.00 C ATOM 731 C ALA A 46 13.445 -1.428 4.690 1.00 0.00 C ATOM 732 O ALA A 46 13.927 -0.358 4.956 1.00 0.00 O ATOM 733 CB ALA A 46 13.521 -3.441 6.091 1.00 0.00 C ATOM 0 H ALA A 46 11.267 -3.735 5.291 1.00 0.00 H new ATOM 0 HA ALA A 46 12.534 -1.560 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.489 -3.138 6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.996 -4.045 6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.671 -4.027 5.184 1.00 0.00 H new ATOM 739 N GLU A 47 13.519 -1.954 3.475 1.00 0.00 N ATOM 740 CA GLU A 47 14.209 -1.211 2.378 1.00 0.00 C ATOM 741 C GLU A 47 13.359 0.010 2.021 1.00 0.00 C ATOM 742 O GLU A 47 13.898 1.052 1.742 1.00 0.00 O ATOM 743 CB GLU A 47 14.421 -2.169 1.192 1.00 0.00 C ATOM 744 CG GLU A 47 13.124 -2.681 0.631 1.00 0.00 C ATOM 745 CD GLU A 47 13.419 -3.637 -0.525 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.828 -4.756 -0.253 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.232 -3.236 -1.664 1.00 0.00 O ATOM 0 H GLU A 47 13.131 -2.859 3.209 1.00 0.00 H new ATOM 0 HA GLU A 47 15.193 -0.851 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.975 -1.654 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.033 -3.012 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.556 -3.194 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.511 -1.850 0.284 1.00 0.00 H new ATOM 754 N ALA A 48 12.034 -0.095 2.071 1.00 0.00 N ATOM 755 CA ALA A 48 11.176 1.097 1.804 1.00 0.00 C ATOM 756 C ALA A 48 11.409 2.138 2.905 1.00 0.00 C ATOM 757 O ALA A 48 11.493 3.322 2.644 1.00 0.00 O ATOM 758 CB ALA A 48 9.753 0.555 1.882 1.00 0.00 C ATOM 0 H ALA A 48 11.527 -0.954 2.285 1.00 0.00 H new ATOM 0 HA ALA A 48 11.384 1.576 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.045 1.363 1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.618 -0.223 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.577 0.137 2.873 1.00 0.00 H new ATOM 764 N LYS A 49 11.556 1.674 4.134 1.00 0.00 N ATOM 765 CA LYS A 49 11.832 2.569 5.290 1.00 0.00 C ATOM 766 C LYS A 49 13.273 3.080 5.166 1.00 0.00 C ATOM 767 O LYS A 49 13.567 4.233 5.412 1.00 0.00 O ATOM 768 CB LYS A 49 11.616 1.656 6.493 1.00 0.00 C ATOM 769 CG LYS A 49 10.120 1.674 6.803 1.00 0.00 C ATOM 770 CD LYS A 49 9.758 0.465 7.638 1.00 0.00 C ATOM 771 CE LYS A 49 10.134 0.746 9.084 1.00 0.00 C ATOM 772 NZ LYS A 49 9.503 -0.346 9.885 1.00 0.00 N ATOM 0 H LYS A 49 11.492 0.685 4.377 1.00 0.00 H new ATOM 0 HA LYS A 49 11.204 3.457 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.952 0.643 6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.192 2.005 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.860 2.588 7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.547 1.673 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.691 0.255 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.284 -0.418 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.216 0.751 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.771 1.724 9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.725 -0.210 10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.472 -0.323 9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.873 -1.266 9.570 1.00 0.00 H new ATOM 786 N LYS A 50 14.138 2.212 4.687 1.00 0.00 N ATOM 787 CA LYS A 50 15.562 2.563 4.403 1.00 0.00 C ATOM 788 C LYS A 50 15.564 3.636 3.295 1.00 0.00 C ATOM 789 O LYS A 50 16.312 4.596 3.347 1.00 0.00 O ATOM 790 CB LYS A 50 16.158 1.218 3.933 1.00 0.00 C ATOM 791 CG LYS A 50 17.402 1.383 3.051 1.00 0.00 C ATOM 792 CD LYS A 50 17.455 0.206 2.060 1.00 0.00 C ATOM 793 CE LYS A 50 17.885 -1.075 2.792 1.00 0.00 C ATOM 794 NZ LYS A 50 18.057 -2.107 1.725 1.00 0.00 N ATOM 0 H LYS A 50 13.902 1.242 4.476 1.00 0.00 H new ATOM 0 HA LYS A 50 16.130 2.974 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.416 0.618 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.399 0.665 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.362 2.330 2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.302 1.403 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.477 0.062 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.156 0.428 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.814 -0.920 3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.133 -1.383 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.350 -3.007 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.156 -2.241 1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.785 -1.792 1.052 1.00 0.00 H new ATOM 808 N LEU A 51 14.675 3.483 2.321 1.00 0.00 N ATOM 809 CA LEU A 51 14.536 4.486 1.218 1.00 0.00 C ATOM 810 C LEU A 51 13.905 5.760 1.775 1.00 0.00 C ATOM 811 O LEU A 51 14.228 6.846 1.358 1.00 0.00 O ATOM 812 CB LEU A 51 13.576 3.849 0.200 1.00 0.00 C ATOM 813 CG LEU A 51 14.318 3.237 -0.996 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.667 2.646 -0.576 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.458 2.140 -1.588 1.00 0.00 C ATOM 0 H LEU A 51 14.036 2.691 2.253 1.00 0.00 H new ATOM 0 HA LEU A 51 15.497 4.740 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.987 3.076 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.876 4.604 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 51 14.506 4.023 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.165 2.221 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.291 3.431 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.506 1.865 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.972 1.695 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.275 1.374 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.508 2.560 -1.917 1.00 0.00 H new ATOM 827 N ASN A 52 13.000 5.611 2.719 1.00 0.00 N ATOM 828 CA ASN A 52 12.321 6.785 3.334 1.00 0.00 C ATOM 829 C ASN A 52 13.362 7.727 3.967 1.00 0.00 C ATOM 830 O ASN A 52 13.292 8.927 3.803 1.00 0.00 O ATOM 831 CB ASN A 52 11.399 6.189 4.403 1.00 0.00 C ATOM 832 CG ASN A 52 10.423 7.251 4.895 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.493 7.603 4.203 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.602 7.783 6.072 1.00 0.00 N ATOM 0 H ASN A 52 12.704 4.708 3.090 1.00 0.00 H new ATOM 0 HA ASN A 52 11.766 7.377 2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.851 5.341 3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.991 5.812 5.237 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.958 8.497 6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.386 7.485 6.653 1.00 0.00 H new ATOM 841 N ASP A 53 14.335 7.177 4.667 1.00 0.00 N ATOM 842 CA ASP A 53 15.408 8.026 5.301 1.00 0.00 C ATOM 843 C ASP A 53 16.472 8.431 4.261 1.00 0.00 C ATOM 844 O ASP A 53 16.953 9.551 4.270 1.00 0.00 O ATOM 845 CB ASP A 53 16.040 7.161 6.402 1.00 0.00 C ATOM 846 CG ASP A 53 14.986 6.763 7.451 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.362 7.650 8.018 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.821 5.574 7.669 1.00 0.00 O ATOM 0 H ASP A 53 14.433 6.174 4.827 1.00 0.00 H new ATOM 0 HA ASP A 53 14.991 8.949 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.479 6.266 5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.850 7.709 6.883 1.00 0.00 H new ATOM 853 N ALA A 54 16.837 7.525 3.368 1.00 0.00 N ATOM 854 CA ALA A 54 17.866 7.845 2.310 1.00 0.00 C ATOM 855 C ALA A 54 17.314 8.888 1.323 1.00 0.00 C ATOM 856 O ALA A 54 17.996 9.834 0.968 1.00 0.00 O ATOM 857 CB ALA A 54 18.142 6.517 1.595 1.00 0.00 C ATOM 0 H ALA A 54 16.465 6.576 3.328 1.00 0.00 H new ATOM 0 HA ALA A 54 18.774 8.267 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.883 6.673 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.521 5.789 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.219 6.143 1.153 1.00 0.00 H new ATOM 863 N GLN A 55 16.073 8.727 0.906 1.00 0.00 N ATOM 864 CA GLN A 55 15.430 9.711 -0.033 1.00 0.00 C ATOM 865 C GLN A 55 14.802 10.893 0.748 1.00 0.00 C ATOM 866 O GLN A 55 14.232 11.791 0.147 1.00 0.00 O ATOM 867 CB GLN A 55 14.330 8.931 -0.768 1.00 0.00 C ATOM 868 CG GLN A 55 14.932 7.751 -1.548 1.00 0.00 C ATOM 869 CD GLN A 55 13.835 7.082 -2.374 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.952 6.963 -3.574 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.759 6.647 -1.778 1.00 0.00 N ATOM 0 H GLN A 55 15.474 7.948 1.180 1.00 0.00 H new ATOM 0 HA GLN A 55 16.164 10.133 -0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.596 8.563 -0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.802 9.595 -1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.732 8.101 -2.200 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.374 7.032 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.660 6.747 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.017 6.207 -2.322 1.00 0.00 H new ATOM 880 N ALA A 56 14.895 10.900 2.076 1.00 0.00 N ATOM 881 CA ALA A 56 14.299 12.015 2.889 1.00 0.00 C ATOM 882 C ALA A 56 15.034 13.336 2.655 1.00 0.00 C ATOM 883 O ALA A 56 16.207 13.344 2.313 1.00 0.00 O ATOM 884 CB ALA A 56 14.454 11.614 4.358 1.00 0.00 C ATOM 0 H ALA A 56 15.361 10.176 2.623 1.00 0.00 H new ATOM 0 HA ALA A 56 13.257 12.164 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.035 12.394 4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.926 10.677 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.511 11.485 4.590 1.00 0.00 H new ATOM 1014 N ASN B 6 0.466 -5.975 -8.332 1.00 0.00 N ATOM 1015 CA ASN B 6 1.359 -4.831 -7.915 1.00 0.00 C ATOM 1016 C ASN B 6 0.998 -3.522 -8.638 1.00 0.00 C ATOM 1017 O ASN B 6 1.025 -2.458 -8.042 1.00 0.00 O ATOM 1018 CB ASN B 6 2.811 -5.263 -8.212 1.00 0.00 C ATOM 1019 CG ASN B 6 2.959 -5.858 -9.628 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.894 -5.148 -10.613 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.169 -7.141 -9.766 1.00 0.00 N ATOM 0 HA ASN B 6 1.229 -4.620 -6.853 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.473 -4.403 -8.109 1.00 0.00 H new ATOM 0 HB3 ASN B 6 3.128 -6.000 -7.474 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.278 -7.543 -10.697 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.224 -7.740 -8.942 1.00 0.00 H new ATOM 1028 N LYS B 7 0.630 -3.604 -9.889 1.00 0.00 N ATOM 1029 CA LYS B 7 0.216 -2.377 -10.658 1.00 0.00 C ATOM 1030 C LYS B 7 -1.045 -1.778 -10.044 1.00 0.00 C ATOM 1031 O LYS B 7 -1.199 -0.571 -9.957 1.00 0.00 O ATOM 1032 CB LYS B 7 -0.095 -2.875 -12.075 1.00 0.00 C ATOM 1033 CG LYS B 7 -0.261 -1.685 -13.031 1.00 0.00 C ATOM 1034 CD LYS B 7 1.110 -1.076 -13.348 1.00 0.00 C ATOM 1035 CE LYS B 7 0.937 0.108 -14.308 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.200 0.898 -14.202 1.00 0.00 N ATOM 0 H LYS B 7 0.596 -4.473 -10.422 1.00 0.00 H new ATOM 0 HA LYS B 7 0.991 -1.610 -10.647 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.709 -3.523 -12.425 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -1.006 -3.474 -12.066 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -0.745 -2.011 -13.951 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -0.908 -0.932 -12.580 1.00 0.00 H new ATOM 0 HD2 LYS B 7 1.593 -0.745 -12.429 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.759 -1.829 -13.796 1.00 0.00 H new ATOM 0 HE2 LYS B 7 0.774 -0.236 -15.329 1.00 0.00 H new ATOM 0 HE3 LYS B 7 0.072 0.712 -14.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.148 1.723 -14.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.327 1.220 -13.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 3.007 0.302 -14.477 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.939 -2.635 -9.633 1.00 0.00 N ATOM 1051 CA GLU B 8 -3.220 -2.187 -9.023 1.00 0.00 C ATOM 1052 C GLU B 8 -3.006 -1.520 -7.702 1.00 0.00 C ATOM 1053 O GLU B 8 -3.637 -0.528 -7.424 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.054 -3.450 -8.834 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.774 -3.766 -10.150 1.00 0.00 C ATOM 1056 CD GLU B 8 -3.795 -4.365 -11.177 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -3.236 -5.414 -10.907 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -3.614 -3.750 -12.214 1.00 0.00 O ATOM 0 H GLU B 8 -1.832 -3.647 -9.696 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.711 -1.454 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.416 -4.284 -8.543 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.778 -3.308 -8.032 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.588 -4.466 -9.965 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.220 -2.857 -10.553 1.00 0.00 H new ATOM 1065 N LEU B 9 -2.115 -2.015 -6.889 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.907 -1.329 -5.596 1.00 0.00 C ATOM 1067 C LEU B 9 -1.102 -0.058 -5.821 1.00 0.00 C ATOM 1068 O LEU B 9 -1.088 0.816 -4.977 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.138 -2.216 -4.648 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.667 -3.664 -4.467 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -3.052 -3.934 -5.109 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -0.542 -4.591 -4.965 1.00 0.00 C ATOM 0 H LEU B 9 -1.540 -2.840 -7.060 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.882 -1.094 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.106 -2.271 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.120 -1.735 -3.670 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.886 -3.857 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.339 -4.970 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.794 -3.270 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -2.997 -3.751 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -0.855 -5.630 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -0.331 -4.377 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU B 9 0.357 -4.423 -4.372 1.00 0.00 H new ATOM 1084 N SER B 10 -0.445 0.074 -6.954 1.00 0.00 N ATOM 1085 CA SER B 10 0.311 1.311 -7.206 1.00 0.00 C ATOM 1086 C SER B 10 -0.715 2.428 -7.465 1.00 0.00 C ATOM 1087 O SER B 10 -0.668 3.471 -6.848 1.00 0.00 O ATOM 1088 CB SER B 10 1.199 1.002 -8.440 1.00 0.00 C ATOM 1089 OG SER B 10 1.022 1.980 -9.468 1.00 0.00 O ATOM 0 H SER B 10 -0.409 -0.623 -7.698 1.00 0.00 H new ATOM 0 HA SER B 10 0.944 1.638 -6.381 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.246 0.974 -8.139 1.00 0.00 H new ATOM 0 HB3 SER B 10 0.953 0.014 -8.829 1.00 0.00 H new ATOM 0 HG SER B 10 1.595 1.760 -10.231 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.671 2.184 -8.343 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.717 3.219 -8.634 1.00 0.00 C ATOM 1097 C VAL B 11 -3.803 3.177 -7.546 1.00 0.00 C ATOM 1098 O VAL B 11 -4.040 4.156 -6.854 1.00 0.00 O ATOM 1099 CB VAL B 11 -3.298 2.848 -10.018 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -4.210 3.975 -10.515 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -2.160 2.630 -11.031 1.00 0.00 C ATOM 0 H VAL B 11 -1.768 1.314 -8.867 1.00 0.00 H new ATOM 0 HA VAL B 11 -2.311 4.230 -8.641 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.873 1.927 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.617 3.710 -11.491 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -5.027 4.121 -9.808 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.635 4.897 -10.600 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.582 2.369 -12.002 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.575 3.545 -11.124 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.516 1.821 -10.686 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.446 2.036 -7.397 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.524 1.876 -6.369 1.00 0.00 C ATOM 1113 C ALA B 12 -4.981 2.018 -4.947 1.00 0.00 C ATOM 1114 O ALA B 12 -5.543 2.721 -4.139 1.00 0.00 O ATOM 1115 CB ALA B 12 -6.087 0.453 -6.577 1.00 0.00 C ATOM 0 H ALA B 12 -4.264 1.201 -7.953 1.00 0.00 H new ATOM 0 HA ALA B 12 -6.284 2.648 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.883 0.268 -5.856 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.485 0.363 -7.588 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -5.291 -0.278 -6.435 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.905 1.344 -4.653 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.315 1.371 -3.285 1.00 0.00 C ATOM 1123 C GLY B 13 -2.754 2.722 -2.915 1.00 0.00 C ATOM 1124 O GLY B 13 -3.147 3.291 -1.911 1.00 0.00 O ATOM 0 H GLY B 13 -3.398 0.762 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -4.078 1.089 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.523 0.624 -3.221 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.806 3.214 -3.677 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.175 4.520 -3.318 1.00 0.00 C ATOM 1130 C ARG B 14 -2.229 5.637 -3.176 1.00 0.00 C ATOM 1131 O ARG B 14 -2.116 6.454 -2.291 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.146 4.814 -4.415 1.00 0.00 C ATOM 1133 CG ARG B 14 1.201 5.236 -3.801 1.00 0.00 C ATOM 1134 CD ARG B 14 1.030 6.368 -2.772 1.00 0.00 C ATOM 1135 NE ARG B 14 0.264 7.430 -3.473 1.00 0.00 N ATOM 1136 CZ ARG B 14 0.862 8.286 -4.269 1.00 0.00 C ATOM 1137 NH1 ARG B 14 0.527 8.340 -5.533 1.00 0.00 N ATOM 1138 NH2 ARG B 14 1.788 9.086 -3.797 1.00 0.00 N ATOM 0 H ARG B 14 -1.446 2.772 -4.523 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.686 4.473 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -0.007 3.929 -5.036 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.518 5.605 -5.066 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.667 4.376 -3.321 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.875 5.563 -4.593 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.496 6.018 -1.888 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.997 6.740 -2.434 1.00 0.00 H new ATOM 0 HE ARG B 14 -0.744 7.495 -3.334 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -0.196 7.719 -5.896 1.00 0.00 H new ATOM 0 HH12 ARG B 14 0.989 9.003 -6.155 1.00 0.00 H new ATOM 0 HH21 ARG B 14 2.044 9.044 -2.811 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.252 9.751 -4.416 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.256 5.681 -4.002 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.290 6.771 -3.827 1.00 0.00 C ATOM 1154 C GLU B 15 -5.118 6.551 -2.533 1.00 0.00 C ATOM 1155 O GLU B 15 -5.358 7.488 -1.797 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.167 6.721 -5.081 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.376 7.214 -6.308 1.00 0.00 C ATOM 1158 CD GLU B 15 -3.826 8.630 -6.063 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -4.625 9.536 -5.871 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -2.614 8.778 -6.060 1.00 0.00 O ATOM 0 H GLU B 15 -3.424 5.031 -4.770 1.00 0.00 H new ATOM 0 HA GLU B 15 -3.827 7.752 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.514 5.702 -5.250 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.053 7.340 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.554 6.529 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -5.021 7.215 -7.187 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.511 5.313 -2.247 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.294 4.975 -0.980 1.00 0.00 C ATOM 1169 C ILE B 16 -5.511 5.377 0.282 1.00 0.00 C ATOM 1170 O ILE B 16 -6.072 5.820 1.270 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.449 3.430 -1.017 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.490 3.057 -2.085 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.904 2.875 0.350 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.403 1.572 -2.440 1.00 0.00 C ATOM 0 H ILE B 16 -5.321 4.509 -2.845 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.246 5.504 -0.946 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.479 2.993 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.490 3.289 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.330 3.658 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.002 1.791 0.288 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.165 3.130 1.110 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.866 3.312 0.618 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.150 1.335 -3.197 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.409 1.348 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.588 0.973 -1.548 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.225 5.179 0.242 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.338 5.482 1.405 1.00 0.00 C ATOM 1188 C VAL B 17 -2.959 6.976 1.493 1.00 0.00 C ATOM 1189 O VAL B 17 -2.535 7.433 2.544 1.00 0.00 O ATOM 1190 CB VAL B 17 -2.118 4.580 1.144 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.226 5.119 0.036 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.320 4.362 2.411 1.00 0.00 C ATOM 0 H VAL B 17 -3.735 4.809 -0.572 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.817 5.289 2.365 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.506 3.619 0.808 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.380 4.447 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.797 5.189 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.860 6.108 0.312 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.465 3.721 2.197 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.969 5.322 2.789 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.951 3.885 3.161 1.00 0.00 H new ATOM 1202 N THR B 18 -3.061 7.727 0.407 1.00 0.00 N ATOM 1203 CA THR B 18 -2.647 9.169 0.454 1.00 0.00 C ATOM 1204 C THR B 18 -3.808 10.165 0.504 1.00 0.00 C ATOM 1205 O THR B 18 -3.540 11.346 0.669 1.00 0.00 O ATOM 1206 CB THR B 18 -1.797 9.415 -0.802 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.539 9.090 -1.975 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.538 8.558 -0.723 1.00 0.00 C ATOM 0 H THR B 18 -3.409 7.403 -0.495 1.00 0.00 H new ATOM 0 HA THR B 18 -2.100 9.339 1.381 1.00 0.00 H new ATOM 0 HB THR B 18 -1.522 10.468 -0.853 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.292 8.192 -2.280 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.072 8.725 -1.610 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.032 8.829 0.166 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.817 7.506 -0.668 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.081 9.771 0.386 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.129 10.852 0.472 1.00 0.00 C ATOM 1218 C LEU B 19 -6.163 11.416 1.922 1.00 0.00 C ATOM 1219 O LEU B 19 -5.967 10.682 2.878 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.458 10.278 -0.007 1.00 0.00 C ATOM 1221 CG LEU B 19 -7.878 9.056 0.793 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.292 9.306 1.250 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.832 7.806 -0.096 1.00 0.00 C ATOM 0 H LEU B 19 -5.413 8.817 0.244 1.00 0.00 H new ATOM 0 HA LEU B 19 -5.899 11.697 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.231 11.043 0.069 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.377 10.010 -1.061 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.211 8.892 1.640 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.642 8.453 1.832 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.321 10.204 1.868 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -9.936 9.442 0.381 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.134 6.935 0.485 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.511 7.934 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.817 7.660 -0.467 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.298 12.731 2.013 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.211 13.451 3.326 1.00 0.00 C ATOM 1237 C PRO B 20 -7.413 13.262 4.268 1.00 0.00 C ATOM 1238 O PRO B 20 -7.231 13.226 5.474 1.00 0.00 O ATOM 1239 CB PRO B 20 -6.096 14.919 2.915 1.00 0.00 C ATOM 1240 CG PRO B 20 -6.728 15.005 1.564 1.00 0.00 C ATOM 1241 CD PRO B 20 -6.567 13.661 0.905 1.00 0.00 C ATOM 0 HA PRO B 20 -5.376 13.060 3.908 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -6.605 15.567 3.628 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -5.054 15.237 2.882 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -7.783 15.267 1.650 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -6.254 15.784 0.967 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -7.467 13.377 0.360 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -5.748 13.668 0.186 1.00 0.00 H new ATOM 1249 N ASN B 21 -8.626 13.182 3.759 1.00 0.00 N ATOM 1250 CA ASN B 21 -9.814 13.045 4.691 1.00 0.00 C ATOM 1251 C ASN B 21 -9.863 11.661 5.370 1.00 0.00 C ATOM 1252 O ASN B 21 -10.437 11.528 6.438 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.070 13.277 3.848 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.147 14.723 3.317 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.312 15.557 3.616 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.144 15.058 2.541 1.00 0.00 N ATOM 0 H ASN B 21 -8.848 13.204 2.764 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.737 13.774 5.498 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.078 12.581 3.009 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -11.955 13.063 4.448 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.219 16.013 2.190 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -12.847 14.365 2.286 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.271 10.637 4.774 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.292 9.269 5.406 1.00 0.00 C ATOM 1265 C LEU B 22 -8.428 9.242 6.677 1.00 0.00 C ATOM 1266 O LEU B 22 -7.474 9.991 6.812 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.683 8.308 4.376 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.657 7.176 4.048 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -9.222 6.493 2.747 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -9.688 6.155 5.186 1.00 0.00 C ATOM 0 H LEU B 22 -8.778 10.692 3.883 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.310 8.993 5.682 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -8.433 8.854 3.466 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.753 7.893 4.765 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.658 7.590 3.926 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -9.915 5.685 2.511 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -9.223 7.221 1.936 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -8.218 6.086 2.868 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -10.386 5.355 4.938 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.691 5.737 5.327 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -10.009 6.645 6.105 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.742 8.346 7.587 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.930 8.207 8.847 1.00 0.00 C ATOM 1284 C ASN B 23 -7.112 6.906 8.794 1.00 0.00 C ATOM 1285 O ASN B 23 -7.467 5.974 8.099 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.916 8.234 10.033 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.892 7.038 10.025 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.051 6.358 9.037 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.571 6.763 11.106 1.00 0.00 N ATOM 0 H ASN B 23 -9.529 7.701 7.512 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.215 9.022 8.961 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.354 8.233 10.967 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.486 9.163 10.005 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.227 5.982 11.111 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.445 7.329 11.945 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.000 6.866 9.501 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.083 5.663 9.472 1.00 0.00 C ATOM 1298 C ASP B 24 -5.764 4.274 9.675 1.00 0.00 C ATOM 1299 O ASP B 24 -5.335 3.344 9.020 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.965 5.923 10.512 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.506 5.996 11.944 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.962 7.061 12.334 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.442 4.990 12.634 1.00 0.00 O ATOM 0 H ASP B 24 -5.682 7.624 10.105 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.688 5.573 8.460 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.221 5.129 10.448 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.457 6.857 10.270 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.771 4.126 10.549 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.396 2.775 10.739 1.00 0.00 C ATOM 1310 C PRO B 25 -8.211 2.319 9.506 1.00 0.00 C ATOM 1311 O PRO B 25 -8.120 1.164 9.112 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.299 2.957 11.958 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.610 4.414 11.992 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.419 5.132 11.418 1.00 0.00 C ATOM 0 HA PRO B 25 -6.644 1.998 10.874 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.207 2.361 11.869 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.798 2.639 12.872 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.507 4.630 11.412 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.803 4.743 13.013 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.721 6.013 10.851 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.744 5.474 12.203 1.00 0.00 H new ATOM 1322 N GLN B 26 -9.005 3.196 8.895 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.810 2.762 7.696 1.00 0.00 C ATOM 1324 C GLN B 26 -8.876 2.428 6.523 1.00 0.00 C ATOM 1325 O GLN B 26 -8.939 1.327 6.011 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.776 3.904 7.361 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.855 3.989 8.451 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.990 4.913 7.999 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.915 4.476 7.342 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.970 6.177 8.322 1.00 0.00 N ATOM 0 H GLN B 26 -9.124 4.170 9.173 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.379 1.856 7.904 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.234 4.847 7.295 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.237 3.733 6.388 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.248 2.995 8.663 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.418 4.363 9.377 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.197 6.550 8.873 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.727 6.792 8.024 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.979 3.333 6.129 1.00 0.00 N ATOM 1340 CA LYS B 27 -7.002 3.001 5.018 1.00 0.00 C ATOM 1341 C LYS B 27 -6.196 1.749 5.386 1.00 0.00 C ATOM 1342 O LYS B 27 -5.785 1.017 4.516 1.00 0.00 O ATOM 1343 CB LYS B 27 -6.023 4.175 4.783 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.950 5.174 5.941 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.835 6.193 5.690 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.411 7.618 5.731 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.508 8.396 6.631 1.00 0.00 N ATOM 0 H LYS B 27 -7.885 4.269 6.523 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.573 2.821 4.107 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -5.027 3.772 4.603 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.320 4.706 3.879 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.905 5.688 6.048 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.766 4.645 6.876 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.055 6.085 6.443 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.371 6.006 4.722 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.441 8.056 4.734 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.433 7.616 6.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -4.848 9.377 6.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.504 7.964 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -3.543 8.390 6.244 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.981 1.493 6.665 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.225 0.263 7.082 1.00 0.00 C ATOM 1363 C LYS B 28 -5.962 -0.983 6.571 1.00 0.00 C ATOM 1364 O LYS B 28 -5.437 -1.717 5.761 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.205 0.272 8.622 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.767 0.311 9.109 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.203 -1.108 9.158 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.674 -1.062 9.060 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.180 -2.265 9.799 1.00 0.00 N ATOM 0 H LYS B 28 -6.297 2.084 7.434 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.214 0.250 6.676 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.751 1.137 8.998 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.707 -0.615 9.008 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.164 0.930 8.444 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.720 0.766 10.098 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.503 -1.597 10.085 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.612 -1.700 8.339 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.348 -1.081 8.020 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.282 -0.145 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.194 -2.112 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.771 -2.423 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.231 -3.098 9.179 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.196 -1.192 7.007 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.994 -2.369 6.506 1.00 0.00 C ATOM 1385 C ALA B 29 -8.210 -2.246 4.983 1.00 0.00 C ATOM 1386 O ALA B 29 -8.281 -3.236 4.278 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.335 -2.304 7.248 1.00 0.00 C ATOM 0 H ALA B 29 -7.679 -0.601 7.683 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.485 -3.316 6.685 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.967 -3.134 6.931 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.160 -2.371 8.322 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.832 -1.361 7.019 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.296 -1.024 4.487 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.487 -0.768 3.020 1.00 0.00 C ATOM 1395 C PHE B 30 -7.291 -1.270 2.217 1.00 0.00 C ATOM 1396 O PHE B 30 -7.435 -2.089 1.333 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.562 0.758 2.898 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.884 1.178 2.362 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.954 1.404 3.231 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.031 1.361 0.993 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -12.182 1.813 2.721 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.258 1.776 0.485 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.335 2.002 1.349 1.00 0.00 C ATOM 0 H PHE B 30 -8.240 -0.178 5.054 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.372 -1.277 2.639 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.398 1.214 3.874 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.768 1.115 2.242 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -10.829 1.262 4.294 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -9.199 1.182 0.328 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -13.015 1.984 3.387 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -11.379 1.924 -0.578 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.286 2.323 0.952 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.115 -0.781 2.534 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.885 -1.226 1.818 1.00 0.00 C ATOM 1415 C ILE B 31 -4.739 -2.746 1.999 1.00 0.00 C ATOM 1416 O ILE B 31 -4.429 -3.454 1.064 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.716 -0.488 2.505 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.586 0.968 1.977 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.392 -1.254 2.280 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.119 1.381 1.947 1.00 0.00 C ATOM 0 H ILE B 31 -5.958 -0.087 3.265 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.913 -1.009 0.750 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.926 -0.446 3.574 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.014 1.041 0.977 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.151 1.647 2.615 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.576 -0.722 2.770 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.476 -2.256 2.700 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.189 -1.324 1.211 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.036 2.403 1.576 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.705 1.326 2.954 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.566 0.710 1.290 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.958 -3.232 3.210 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.835 -4.697 3.485 1.00 0.00 C ATOM 1434 C PHE B 32 -5.838 -5.488 2.607 1.00 0.00 C ATOM 1435 O PHE B 32 -5.475 -6.519 2.058 1.00 0.00 O ATOM 1436 CB PHE B 32 -5.077 -4.864 5.009 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.760 -4.638 5.769 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.064 -3.398 5.676 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.190 -5.687 6.551 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.864 -3.233 6.344 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.978 -5.485 7.189 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.326 -4.272 7.089 1.00 0.00 C ATOM 0 H PHE B 32 -5.218 -2.666 4.018 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.854 -5.098 3.228 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.830 -4.153 5.348 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.463 -5.862 5.219 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.472 -2.590 5.086 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.702 -6.634 6.645 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.343 -2.289 6.285 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.539 -6.283 7.770 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.384 -4.130 7.598 1.00 0.00 H new ATOM 1452 N SER B 33 -7.064 -4.995 2.399 1.00 0.00 N ATOM 1453 CA SER B 33 -8.010 -5.732 1.480 1.00 0.00 C ATOM 1454 C SER B 33 -7.548 -5.544 0.015 1.00 0.00 C ATOM 1455 O SER B 33 -7.667 -6.436 -0.787 1.00 0.00 O ATOM 1456 CB SER B 33 -9.414 -5.153 1.727 1.00 0.00 C ATOM 1457 OG SER B 33 -9.476 -3.806 1.292 1.00 0.00 O ATOM 0 H SER B 33 -7.432 -4.140 2.816 1.00 0.00 H new ATOM 0 HA SER B 33 -8.023 -6.805 1.674 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.158 -5.748 1.197 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.657 -5.211 2.788 1.00 0.00 H new ATOM 0 HG SER B 33 -8.585 -3.403 1.349 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.975 -4.396 -0.312 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.430 -4.133 -1.696 1.00 0.00 C ATOM 1465 C LEU B 34 -5.185 -5.010 -1.942 1.00 0.00 C ATOM 1466 O LEU B 34 -4.922 -5.404 -3.059 1.00 0.00 O ATOM 1467 CB LEU B 34 -6.145 -2.615 -1.668 1.00 0.00 C ATOM 1468 CG LEU B 34 -4.981 -2.148 -2.530 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.524 -1.609 -3.871 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.287 -1.014 -1.773 1.00 0.00 C ATOM 0 H LEU B 34 -6.861 -3.617 0.336 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.099 -4.388 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -7.044 -2.089 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.952 -2.319 -0.637 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.289 -2.966 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.693 -1.273 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.067 -2.400 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.196 -0.772 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.443 -0.649 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.994 -0.201 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.929 -1.384 -0.812 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.434 -5.330 -0.902 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.225 -6.197 -1.067 1.00 0.00 C ATOM 1484 C TRP B 35 -3.622 -7.663 -1.365 1.00 0.00 C ATOM 1485 O TRP B 35 -3.188 -8.227 -2.347 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.481 -6.122 0.264 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.220 -6.904 0.131 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.958 -8.056 0.774 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.074 -6.635 -0.716 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.281 -8.507 0.390 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.877 -7.654 -0.519 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.239 -5.607 -1.618 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.094 -7.648 -1.196 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.458 -5.600 -2.292 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.381 -6.612 -2.079 1.00 0.00 C ATOM 0 H TRP B 35 -4.613 -5.023 0.054 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.614 -5.859 -1.904 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.261 -5.085 0.520 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.097 -6.525 1.068 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.615 -8.546 1.477 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.709 -9.367 0.734 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.472 -4.813 -1.792 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.809 -8.441 -1.037 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.685 -4.802 -2.984 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.327 -6.596 -2.601 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.434 -8.279 -0.520 1.00 0.00 N ATOM 1507 CA ASP B 36 -4.841 -9.712 -0.759 1.00 0.00 C ATOM 1508 C ASP B 36 -6.053 -9.809 -1.691 1.00 0.00 C ATOM 1509 O ASP B 36 -6.247 -10.825 -2.338 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.176 -10.298 0.628 1.00 0.00 C ATOM 1511 CG ASP B 36 -3.917 -10.860 1.336 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -2.812 -10.709 0.824 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -4.089 -11.444 2.392 1.00 0.00 O ATOM 0 H ASP B 36 -4.829 -7.853 0.318 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.038 -10.263 -1.248 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.628 -9.525 1.250 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -5.916 -11.091 0.518 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.864 -8.771 -1.774 1.00 0.00 N ATOM 1519 CA ASP B 37 -8.055 -8.812 -2.675 1.00 0.00 C ATOM 1520 C ASP B 37 -8.053 -7.600 -3.641 1.00 0.00 C ATOM 1521 O ASP B 37 -9.026 -6.863 -3.707 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.294 -8.787 -1.746 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.150 -9.815 -0.614 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.364 -10.989 -0.871 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.822 -9.407 0.491 1.00 0.00 O ATOM 0 H ASP B 37 -6.746 -7.901 -1.254 1.00 0.00 H new ATOM 0 HA ASP B 37 -8.053 -9.704 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.417 -7.790 -1.324 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -10.192 -9.001 -2.325 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.965 -7.444 -4.398 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.865 -6.337 -5.399 1.00 0.00 C ATOM 1532 C PRO B 38 -7.846 -6.516 -6.576 1.00 0.00 C ATOM 1533 O PRO B 38 -7.930 -5.649 -7.424 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.435 -6.413 -5.888 1.00 0.00 C ATOM 1535 CG PRO B 38 -5.038 -7.827 -5.645 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.734 -8.250 -4.396 1.00 0.00 C ATOM 0 HA PRO B 38 -7.122 -5.375 -4.956 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -5.362 -6.155 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.792 -5.720 -5.345 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -5.326 -8.461 -6.484 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.957 -7.914 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.953 -9.318 -4.401 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.127 -8.053 -3.512 1.00 0.00 H new ATOM 1544 N SER B 39 -8.616 -7.600 -6.626 1.00 0.00 N ATOM 1545 CA SER B 39 -9.631 -7.755 -7.729 1.00 0.00 C ATOM 1546 C SER B 39 -10.589 -6.552 -7.644 1.00 0.00 C ATOM 1547 O SER B 39 -11.030 -6.014 -8.644 1.00 0.00 O ATOM 1548 CB SER B 39 -10.375 -9.058 -7.427 1.00 0.00 C ATOM 1549 OG SER B 39 -10.682 -9.719 -8.648 1.00 0.00 O ATOM 0 H SER B 39 -8.581 -8.369 -5.957 1.00 0.00 H new ATOM 0 HA SER B 39 -9.191 -7.788 -8.726 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.762 -9.702 -6.796 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.291 -8.847 -6.874 1.00 0.00 H new ATOM 0 HG SER B 39 -11.157 -10.555 -8.457 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.856 -6.108 -6.422 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.725 -4.910 -6.181 1.00 0.00 C ATOM 1557 C GLN B 40 -10.847 -3.642 -6.051 1.00 0.00 C ATOM 1558 O GLN B 40 -11.281 -2.679 -5.469 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.436 -5.140 -4.829 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.805 -6.610 -4.608 1.00 0.00 C ATOM 1561 CD GLN B 40 -14.039 -6.712 -3.704 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.985 -7.400 -4.028 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -14.071 -6.050 -2.577 1.00 0.00 N ATOM 0 H GLN B 40 -10.496 -6.541 -5.571 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.430 -4.778 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.788 -4.805 -4.019 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -13.339 -4.531 -4.788 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -13.005 -7.091 -5.565 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.967 -7.139 -4.154 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.277 -5.471 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.890 -6.112 -1.972 1.00 0.00 H new ATOM 1572 N SER B 41 -9.609 -3.642 -6.546 1.00 0.00 N ATOM 1573 CA SER B 41 -8.715 -2.433 -6.396 1.00 0.00 C ATOM 1574 C SER B 41 -9.346 -1.178 -7.015 1.00 0.00 C ATOM 1575 O SER B 41 -9.280 -0.110 -6.431 1.00 0.00 O ATOM 1576 CB SER B 41 -7.399 -2.775 -7.092 1.00 0.00 C ATOM 1577 OG SER B 41 -7.621 -3.014 -8.480 1.00 0.00 O ATOM 0 H SER B 41 -9.188 -4.426 -7.044 1.00 0.00 H new ATOM 0 HA SER B 41 -8.560 -2.206 -5.341 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.690 -1.957 -6.966 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.954 -3.657 -6.631 1.00 0.00 H new ATOM 0 HG SER B 41 -7.784 -3.969 -8.625 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.994 -1.303 -8.165 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.672 -0.110 -8.782 1.00 0.00 C ATOM 1585 C ALA B 42 -11.767 0.368 -7.816 1.00 0.00 C ATOM 1586 O ALA B 42 -11.881 1.547 -7.528 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.278 -0.605 -10.102 1.00 0.00 C ATOM 0 H ALA B 42 -10.079 -2.171 -8.693 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.992 0.722 -8.967 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.787 0.220 -10.600 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.485 -0.985 -10.747 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.993 -1.402 -9.898 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.538 -0.568 -7.279 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.593 -0.224 -6.283 1.00 0.00 C ATOM 1595 C ASN B 43 -12.953 0.263 -4.967 1.00 0.00 C ATOM 1596 O ASN B 43 -13.501 1.117 -4.315 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.388 -1.520 -6.051 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.596 -1.234 -5.147 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.577 -1.554 -3.976 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.649 -0.641 -5.642 1.00 0.00 N ATOM 0 H ASN B 43 -12.470 -1.562 -7.499 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.236 0.580 -6.640 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.724 -1.927 -7.005 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.748 -2.273 -5.591 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.453 -0.448 -5.045 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.667 -0.371 -6.626 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.798 -0.278 -4.583 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.117 0.147 -3.311 1.00 0.00 C ATOM 1609 C LEU B 44 -10.679 1.598 -3.419 1.00 0.00 C ATOM 1610 O LEU B 44 -11.033 2.418 -2.606 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.912 -0.796 -3.171 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.266 -1.922 -2.205 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.559 -3.220 -2.627 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.825 -1.495 -0.800 1.00 0.00 C ATOM 0 H LEU B 44 -11.303 -1.000 -5.107 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.770 0.085 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.642 -1.207 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -9.045 -0.246 -2.805 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.339 -2.111 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.818 -4.018 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.877 -3.497 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.480 -3.066 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.067 -2.284 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.749 -1.318 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.345 -0.579 -0.518 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.942 1.907 -4.448 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.488 3.314 -4.699 1.00 0.00 C ATOM 1628 C LEU B 45 -10.696 4.262 -4.671 1.00 0.00 C ATOM 1629 O LEU B 45 -10.674 5.287 -4.009 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.852 3.279 -6.100 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.507 4.696 -6.587 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.909 5.517 -5.445 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.494 4.608 -7.731 1.00 0.00 C ATOM 0 H LEU B 45 -9.625 1.232 -5.144 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.786 3.671 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.949 2.669 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.538 2.807 -6.803 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.418 5.182 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.669 6.518 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.630 5.586 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.001 5.033 -5.086 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.248 5.612 -8.077 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.589 4.114 -7.378 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.923 4.035 -8.553 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.755 3.896 -5.354 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.993 4.731 -5.357 1.00 0.00 C ATOM 1647 C ALA B 46 -13.591 4.771 -3.939 1.00 0.00 C ATOM 1648 O ALA B 46 -13.961 5.820 -3.447 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.936 4.010 -6.310 1.00 0.00 C ATOM 0 H ALA B 46 -11.812 3.046 -5.914 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.810 5.762 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.877 4.557 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.481 3.954 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.126 3.002 -5.941 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.654 3.619 -3.286 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.189 3.530 -1.889 1.00 0.00 C ATOM 1657 C GLU B 47 -13.339 4.395 -0.943 1.00 0.00 C ATOM 1658 O GLU B 47 -13.851 4.970 -0.011 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.070 2.045 -1.499 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.092 1.707 -0.399 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.522 1.664 -0.971 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.709 1.136 -2.063 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.415 2.147 -0.293 1.00 0.00 O ATOM 0 H GLU B 47 -13.350 2.727 -3.677 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.217 3.887 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.242 1.416 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.061 1.833 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.846 0.744 0.048 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.036 2.451 0.396 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.045 4.496 -1.205 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.133 5.338 -0.356 1.00 0.00 C ATOM 1672 C ALA B 48 -11.532 6.813 -0.506 1.00 0.00 C ATOM 1673 O ALA B 48 -11.687 7.519 0.474 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.712 5.095 -0.899 1.00 0.00 C ATOM 0 H ALA B 48 -11.582 4.023 -1.981 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.192 5.084 0.702 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.997 5.681 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.466 4.037 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.666 5.395 -1.946 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.739 7.257 -1.735 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.176 8.674 -1.985 1.00 0.00 C ATOM 1682 C LYS B 49 -13.579 8.889 -1.386 1.00 0.00 C ATOM 1683 O LYS B 49 -13.831 9.879 -0.740 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.212 8.837 -3.515 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.803 8.655 -4.098 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.820 8.955 -5.604 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.592 8.324 -6.285 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.398 9.090 -5.802 1.00 0.00 N ATOM 0 H LYS B 49 -11.622 6.693 -2.576 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.505 9.401 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.892 8.105 -3.951 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.597 9.823 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.102 9.320 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.457 7.636 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.734 8.563 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.822 10.033 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.506 7.268 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.677 8.382 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.559 8.805 -6.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.564 10.109 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.241 8.889 -4.794 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.480 7.946 -1.584 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.871 8.062 -1.009 1.00 0.00 C ATOM 1704 C LYS B 50 -15.828 8.009 0.532 1.00 0.00 C ATOM 1705 O LYS B 50 -16.557 8.723 1.198 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.648 6.870 -1.583 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.913 7.104 -3.079 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.140 5.762 -3.791 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.506 5.176 -3.399 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.203 3.915 -2.655 1.00 0.00 N ATOM 0 H LYS B 50 -14.312 7.096 -2.122 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.343 9.009 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.080 5.950 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.591 6.746 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.786 7.744 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.068 7.625 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.093 5.903 -4.871 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.347 5.063 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.068 5.873 -2.777 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.114 4.975 -4.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -19.092 3.465 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.675 3.266 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.630 4.136 -1.815 1.00 0.00 H new ATOM 1724 N LEU B 51 -14.963 7.178 1.097 1.00 0.00 N ATOM 1725 CA LEU B 51 -14.834 7.075 2.595 1.00 0.00 C ATOM 1726 C LEU B 51 -14.358 8.414 3.162 1.00 0.00 C ATOM 1727 O LEU B 51 -14.908 8.904 4.135 1.00 0.00 O ATOM 1728 CB LEU B 51 -13.767 5.983 2.831 1.00 0.00 C ATOM 1729 CG LEU B 51 -13.612 5.654 4.329 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -12.689 4.446 4.476 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.011 6.841 5.099 1.00 0.00 C ATOM 0 H LEU B 51 -14.338 6.564 0.576 1.00 0.00 H new ATOM 0 HA LEU B 51 -15.779 6.831 3.080 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.043 5.080 2.286 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -12.810 6.316 2.430 1.00 0.00 H new ATOM 0 HG LEU B 51 -14.598 5.440 4.742 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -12.572 4.204 5.532 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -13.121 3.592 3.954 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -11.714 4.678 4.047 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -12.914 6.579 6.153 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.028 7.079 4.692 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -13.664 7.708 4.999 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.337 8.999 2.560 1.00 0.00 N ATOM 1744 CA ASN B 52 -12.798 10.308 3.042 1.00 0.00 C ATOM 1745 C ASN B 52 -13.936 11.353 3.157 1.00 0.00 C ATOM 1746 O ASN B 52 -13.903 12.217 4.013 1.00 0.00 O ATOM 1747 CB ASN B 52 -11.710 10.666 1.992 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.060 11.851 1.058 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.157 11.994 0.585 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.132 12.699 0.744 1.00 0.00 N ATOM 0 H ASN B 52 -12.855 8.615 1.747 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.370 10.276 4.044 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -10.784 10.899 2.517 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.516 9.786 1.379 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.339 13.469 0.107 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.195 12.597 1.133 1.00 0.00 H new ATOM 1757 N ASP B 53 -14.944 11.253 2.303 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.093 12.207 2.340 1.00 0.00 C ATOM 1759 C ASP B 53 -16.909 12.044 3.636 1.00 0.00 C ATOM 1760 O ASP B 53 -17.486 13.002 4.125 1.00 0.00 O ATOM 1761 CB ASP B 53 -16.972 11.850 1.136 1.00 0.00 C ATOM 1762 CG ASP B 53 -17.978 12.978 0.876 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.585 13.979 0.296 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.123 12.823 1.266 1.00 0.00 O ATOM 0 H ASP B 53 -15.010 10.539 1.578 1.00 0.00 H new ATOM 0 HA ASP B 53 -15.741 13.238 2.307 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.351 11.694 0.254 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.500 10.915 1.324 1.00 0.00 H new ATOM 1769 N ALA B 54 -16.969 10.838 4.185 1.00 0.00 N ATOM 1770 CA ALA B 54 -17.758 10.606 5.443 1.00 0.00 C ATOM 1771 C ALA B 54 -17.151 11.381 6.630 1.00 0.00 C ATOM 1772 O ALA B 54 -17.867 11.844 7.500 1.00 0.00 O ATOM 1773 CB ALA B 54 -17.681 9.095 5.674 1.00 0.00 C ATOM 0 H ALA B 54 -16.504 10.010 3.812 1.00 0.00 H new ATOM 0 HA ALA B 54 -18.786 10.957 5.354 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.234 8.836 6.577 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.116 8.574 4.821 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -16.639 8.797 5.788 1.00 0.00 H new ATOM 1779 N GLN B 55 -15.842 11.526 6.653 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.159 12.273 7.761 1.00 0.00 C ATOM 1781 C GLN B 55 -14.999 13.762 7.399 1.00 0.00 C ATOM 1782 O GLN B 55 -15.122 14.623 8.253 1.00 0.00 O ATOM 1783 CB GLN B 55 -13.801 11.580 7.891 1.00 0.00 C ATOM 1784 CG GLN B 55 -13.987 10.230 8.593 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.722 9.398 8.428 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.164 8.920 9.395 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.239 9.212 7.236 1.00 0.00 N ATOM 0 H GLN B 55 -15.213 11.153 5.942 1.00 0.00 H new ATOM 0 HA GLN B 55 -15.722 12.256 8.694 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.359 11.433 6.906 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.113 12.206 8.459 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.200 10.384 9.651 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -14.841 9.702 8.170 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -12.710 9.615 6.426 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.389 8.663 7.110 1.00 0.00 H new ATOM 1796 N ALA B 56 -14.717 14.062 6.142 1.00 0.00 N ATOM 1797 CA ALA B 56 -14.534 15.485 5.703 1.00 0.00 C ATOM 1798 C ALA B 56 -15.138 15.701 4.301 1.00 0.00 C ATOM 1799 O ALA B 56 -15.237 14.767 3.539 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.021 15.668 5.661 1.00 0.00 C ATOM 0 H ALA B 56 -14.606 13.371 5.400 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.027 16.195 6.367 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -12.786 16.685 5.348 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -12.605 15.488 6.652 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -12.589 14.962 4.952 1.00 0.00 H new