USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=15 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= 0.457 K(o=0.96,f=-0.9) USER MOD Set 1.2: B 28 LYS NZ :NH3+ 155:sc= 0.501 (180deg=0.0698) USER MOD Set 2.1: B 23 ASN : amide:sc= -3.11 K(o=-9.7,f=-23!) USER MOD Set 2.2: B 26 GLN : amide:sc= -5.11! C(o=-9.7!,f=-11!) USER MOD Set 2.3: B 55 GLN : amide:sc= -1.46 K(o=-9.7,f=-13!) USER MOD Set 3.1: B 21 ASN : amide:sc= -2.75! C(o=-7.9!,f=-9!) USER MOD Set 3.2: B 52 ASN : amide:sc= -5.12! C(o=-7.9!,f=-12!) USER MOD Set 4.1: A 28 ASN : amide:sc= -5.17! C(o=-5.5!,f=-11!) USER MOD Set 4.2: B 10 SER OG : rot -170:sc= -0.316 USER MOD Set 5.1: A 23 ASN : amide:sc= -1 K(o=-1.6,f=-10!) USER MOD Set 5.2: A 55 GLN : amide:sc= -0.642 K(o=-1.6,f=-4.5!) USER MOD Set 6.1: A 14 TYR OH : rot 153:sc= -0.53 USER MOD Set 6.2: A 18 HIS : no HD1:sc= -20.2! C(o=-21!,f=-26!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.0129 (180deg=-0.11) USER MOD Single : A 9 GLN : amide:sc= -1.53 X(o=-1.5,f=-2) USER MOD Single : A 10 GLN : amide:sc= -2.13 K(o=-2.1,f=-5.9!) USER MOD Single : A 21 ASN : amide:sc= -1.35 X(o=-1.3,f=-1.6) USER MOD Single : A 26 GLN : amide:sc= -1.27 K(o=-1.3,f=-5.4!) USER MOD Single : A 32 GLN : amide:sc= -0.689 K(o=-0.69,f=-2.5!) USER MOD Single : A 33 SER OG : rot 11:sc= 0.0426 USER MOD Single : A 35 LYS NZ :NH3+ 139:sc= -0.0975 (180deg=-2.14) USER MOD Single : A 39 SER OG : rot -33:sc= 0.424 USER MOD Single : A 40 GLN : amide:sc= -0.681 K(o=-0.68,f=-3.8!) USER MOD Single : A 41 SER OG : rot -97:sc= 0.775 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= -1.14! C(o=-1.1!,f=-9!) USER MOD Single : B 6 ASN :FLIP amide:sc= -1.93 F(o=-3!,f=-1.9) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -91:sc= -0.649! USER MOD Single : B 27 LYS NZ :NH3+ -151:sc= 0.0181 (180deg=-0.18) USER MOD Single : B 33 SER OG : rot -27:sc= -0.352! 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 -101:sc= 0.442 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -170:sc= -0.0828 (180deg=-0.255) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 3.913 -13.969 7.518 1.00 0.00 N ATOM 68 CA PHE A 5 4.154 -13.446 6.128 1.00 0.00 C ATOM 69 C PHE A 5 2.841 -13.033 5.442 1.00 0.00 C ATOM 70 O PHE A 5 2.848 -12.149 4.600 1.00 0.00 O ATOM 71 CB PHE A 5 4.853 -14.575 5.356 1.00 0.00 C ATOM 72 CG PHE A 5 6.274 -14.693 5.859 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.221 -13.720 5.511 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.640 -15.759 6.687 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.528 -13.813 5.994 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.949 -15.853 7.167 1.00 0.00 C ATOM 77 CZ PHE A 5 8.892 -14.880 6.822 1.00 0.00 C ATOM 0 HA PHE A 5 4.771 -12.548 6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.322 -15.516 5.498 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.846 -14.363 4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.940 -12.898 4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.911 -16.509 6.955 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.257 -13.062 5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.232 -16.677 7.805 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.903 -14.952 7.195 1.00 0.00 H new ATOM 87 N ASN A 6 1.721 -13.648 5.799 1.00 0.00 N ATOM 88 CA ASN A 6 0.405 -13.271 5.171 1.00 0.00 C ATOM 89 C ASN A 6 0.121 -11.775 5.383 1.00 0.00 C ATOM 90 O ASN A 6 -0.179 -11.072 4.433 1.00 0.00 O ATOM 91 CB ASN A 6 -0.659 -14.126 5.877 1.00 0.00 C ATOM 92 CG ASN A 6 -0.596 -15.567 5.357 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.196 -16.356 5.824 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.403 -15.944 4.402 1.00 0.00 N ATOM 0 H ASN A 6 1.667 -14.391 6.496 1.00 0.00 H new ATOM 0 HA ASN A 6 0.409 -13.447 4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.495 -14.111 6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.650 -13.709 5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.366 -16.901 4.051 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.071 -15.282 4.007 1.00 0.00 H new ATOM 101 N LYS A 7 0.244 -11.272 6.605 1.00 0.00 N ATOM 102 CA LYS A 7 0.002 -9.809 6.843 1.00 0.00 C ATOM 103 C LYS A 7 1.307 -8.993 6.764 1.00 0.00 C ATOM 104 O LYS A 7 1.241 -7.786 6.689 1.00 0.00 O ATOM 105 CB LYS A 7 -0.643 -9.676 8.227 1.00 0.00 C ATOM 106 CG LYS A 7 -0.974 -8.204 8.520 1.00 0.00 C ATOM 107 CD LYS A 7 0.067 -7.552 9.446 1.00 0.00 C ATOM 108 CE LYS A 7 0.256 -8.369 10.738 1.00 0.00 C ATOM 109 NZ LYS A 7 1.667 -8.873 10.689 1.00 0.00 N ATOM 0 H LYS A 7 0.499 -11.810 7.433 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.653 -9.409 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.552 -10.276 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.033 -10.063 8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.023 -7.650 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.960 -8.139 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.020 -7.468 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.249 -6.539 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.090 -7.752 11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.454 -9.194 10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.780 -9.655 11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.881 -9.212 9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.320 -8.102 10.938 1.00 0.00 H new ATOM 123 N GLU A 8 2.487 -9.604 6.728 1.00 0.00 N ATOM 124 CA GLU A 8 3.729 -8.770 6.595 1.00 0.00 C ATOM 125 C GLU A 8 3.712 -8.127 5.220 1.00 0.00 C ATOM 126 O GLU A 8 4.019 -6.971 5.083 1.00 0.00 O ATOM 127 CB GLU A 8 4.942 -9.684 6.755 1.00 0.00 C ATOM 128 CG GLU A 8 5.207 -9.939 8.242 1.00 0.00 C ATOM 129 CD GLU A 8 5.546 -8.621 8.959 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.542 -8.006 8.602 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.794 -8.244 9.843 1.00 0.00 O ATOM 0 H GLU A 8 2.633 -10.612 6.784 1.00 0.00 H new ATOM 0 HA GLU A 8 3.776 -7.991 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.767 -10.629 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.817 -9.226 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.330 -10.395 8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.030 -10.645 8.356 1.00 0.00 H new ATOM 138 N GLN A 9 3.263 -8.862 4.217 1.00 0.00 N ATOM 139 CA GLN A 9 3.112 -8.273 2.856 1.00 0.00 C ATOM 140 C GLN A 9 2.053 -7.157 2.949 1.00 0.00 C ATOM 141 O GLN A 9 2.177 -6.126 2.339 1.00 0.00 O ATOM 142 CB GLN A 9 2.608 -9.399 1.949 1.00 0.00 C ATOM 143 CG GLN A 9 3.659 -10.496 1.779 1.00 0.00 C ATOM 144 CD GLN A 9 3.046 -11.640 0.968 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.498 -12.568 1.530 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.107 -11.612 -0.337 1.00 0.00 N ATOM 0 H GLN A 9 2.997 -9.844 4.293 1.00 0.00 H new ATOM 0 HA GLN A 9 4.043 -7.859 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.699 -9.827 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.345 -8.991 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.539 -10.101 1.271 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.989 -10.858 2.753 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.567 -10.834 -0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.695 -12.369 -0.883 1.00 0.00 H new ATOM 155 N GLN A 10 1.028 -7.374 3.762 1.00 0.00 N ATOM 156 CA GLN A 10 -0.057 -6.355 3.986 1.00 0.00 C ATOM 157 C GLN A 10 0.519 -5.116 4.692 1.00 0.00 C ATOM 158 O GLN A 10 0.298 -4.001 4.261 1.00 0.00 O ATOM 159 CB GLN A 10 -1.062 -7.070 4.902 1.00 0.00 C ATOM 160 CG GLN A 10 -2.469 -7.030 4.300 1.00 0.00 C ATOM 161 CD GLN A 10 -2.786 -8.343 3.564 1.00 0.00 C ATOM 162 OE1 GLN A 10 -2.202 -9.370 3.835 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.707 -8.359 2.646 1.00 0.00 N ATOM 0 H GLN A 10 0.901 -8.238 4.289 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.509 -6.010 3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.754 -8.105 5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.068 -6.596 5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.202 -6.864 5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.550 -6.191 3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.206 -7.501 2.409 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.931 -9.229 2.163 1.00 0.00 H new ATOM 172 N ASN A 11 1.262 -5.319 5.768 1.00 0.00 N ATOM 173 CA ASN A 11 1.875 -4.174 6.520 1.00 0.00 C ATOM 174 C ASN A 11 2.988 -3.533 5.689 1.00 0.00 C ATOM 175 O ASN A 11 3.069 -2.332 5.600 1.00 0.00 O ATOM 176 CB ASN A 11 2.462 -4.775 7.802 1.00 0.00 C ATOM 177 CG ASN A 11 2.742 -3.657 8.811 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.834 -3.153 9.443 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.968 -3.237 8.986 1.00 0.00 N ATOM 0 H ASN A 11 1.468 -6.240 6.156 1.00 0.00 H new ATOM 0 HA ASN A 11 1.138 -3.401 6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.767 -5.498 8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.382 -5.313 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.161 -2.488 9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.732 -3.658 8.457 1.00 0.00 H new ATOM 186 N ALA A 12 3.832 -4.339 5.075 1.00 0.00 N ATOM 187 CA ALA A 12 4.934 -3.789 4.224 1.00 0.00 C ATOM 188 C ALA A 12 4.324 -3.026 3.056 1.00 0.00 C ATOM 189 O ALA A 12 4.734 -1.928 2.764 1.00 0.00 O ATOM 190 CB ALA A 12 5.730 -4.991 3.720 1.00 0.00 C ATOM 0 H ALA A 12 3.801 -5.357 5.130 1.00 0.00 H new ATOM 0 HA ALA A 12 5.578 -3.105 4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.551 -4.646 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.132 -5.544 4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.077 -5.642 3.140 1.00 0.00 H new ATOM 196 N PHE A 13 3.303 -3.590 2.426 1.00 0.00 N ATOM 197 CA PHE A 13 2.601 -2.883 1.305 1.00 0.00 C ATOM 198 C PHE A 13 2.079 -1.552 1.839 1.00 0.00 C ATOM 199 O PHE A 13 2.389 -0.500 1.317 1.00 0.00 O ATOM 200 CB PHE A 13 1.422 -3.804 0.917 1.00 0.00 C ATOM 201 CG PHE A 13 0.479 -3.090 -0.009 1.00 0.00 C ATOM 202 CD1 PHE A 13 0.952 -2.555 -1.201 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.875 -3.005 0.311 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.073 -1.938 -2.078 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.754 -2.382 -0.558 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.282 -1.851 -1.753 1.00 0.00 C ATOM 0 H PHE A 13 2.931 -4.513 2.647 1.00 0.00 H new ATOM 0 HA PHE A 13 3.245 -2.685 0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.800 -4.706 0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.890 -4.121 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.002 -2.620 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.238 -3.425 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.435 -1.526 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.802 -2.309 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.967 -1.368 -2.434 1.00 0.00 H new ATOM 216 N TYR A 14 1.316 -1.627 2.905 1.00 0.00 N ATOM 217 CA TYR A 14 0.747 -0.418 3.562 1.00 0.00 C ATOM 218 C TYR A 14 1.855 0.602 3.866 1.00 0.00 C ATOM 219 O TYR A 14 1.797 1.722 3.413 1.00 0.00 O ATOM 220 CB TYR A 14 0.154 -0.982 4.848 1.00 0.00 C ATOM 221 CG TYR A 14 -0.562 0.078 5.631 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.816 0.510 5.221 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.020 0.601 6.787 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.493 1.446 5.948 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.665 1.561 7.532 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.929 1.986 7.119 1.00 0.00 C ATOM 227 OH TYR A 14 -2.604 2.961 7.845 1.00 0.00 O ATOM 0 H TYR A 14 1.060 -2.506 3.356 1.00 0.00 H new ATOM 0 HA TYR A 14 0.017 0.111 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.538 -1.789 4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.948 -1.413 5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.258 0.104 4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.996 0.264 7.103 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.469 1.775 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.219 1.974 8.425 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.334 2.914 8.786 1.00 0.00 H new ATOM 237 N GLU A 15 2.874 0.200 4.602 1.00 0.00 N ATOM 238 CA GLU A 15 3.999 1.136 4.931 1.00 0.00 C ATOM 239 C GLU A 15 4.662 1.647 3.642 1.00 0.00 C ATOM 240 O GLU A 15 4.896 2.828 3.524 1.00 0.00 O ATOM 241 CB GLU A 15 4.983 0.326 5.783 1.00 0.00 C ATOM 242 CG GLU A 15 4.373 0.000 7.164 1.00 0.00 C ATOM 243 CD GLU A 15 4.023 1.296 7.916 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.924 2.086 8.162 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.856 1.476 8.227 1.00 0.00 O ATOM 0 H GLU A 15 2.971 -0.739 4.988 1.00 0.00 H new ATOM 0 HA GLU A 15 3.652 2.017 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.242 -0.599 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.908 0.888 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.477 -0.608 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.078 -0.589 7.750 1.00 0.00 H new ATOM 252 N ILE A 16 4.912 0.786 2.655 1.00 0.00 N ATOM 253 CA ILE A 16 5.503 1.272 1.345 1.00 0.00 C ATOM 254 C ILE A 16 4.629 2.421 0.797 1.00 0.00 C ATOM 255 O ILE A 16 5.130 3.454 0.390 1.00 0.00 O ATOM 256 CB ILE A 16 5.514 0.024 0.411 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.852 -0.700 0.613 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.351 0.405 -1.071 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.646 -2.207 0.578 1.00 0.00 C ATOM 0 H ILE A 16 4.734 -0.217 2.702 1.00 0.00 H new ATOM 0 HA ILE A 16 6.512 1.673 1.441 1.00 0.00 H new ATOM 0 HB ILE A 16 4.671 -0.617 0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.555 -0.404 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.291 -0.408 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.365 -0.497 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.403 0.924 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.170 1.059 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.603 -2.708 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.960 -2.499 1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.228 -2.495 -0.386 1.00 0.00 H new ATOM 271 N LEU A 17 3.328 2.236 0.827 1.00 0.00 N ATOM 272 CA LEU A 17 2.370 3.308 0.357 1.00 0.00 C ATOM 273 C LEU A 17 2.359 4.518 1.320 1.00 0.00 C ATOM 274 O LEU A 17 2.289 5.653 0.885 1.00 0.00 O ATOM 275 CB LEU A 17 0.984 2.650 0.360 1.00 0.00 C ATOM 276 CG LEU A 17 0.944 1.520 -0.661 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.167 0.349 -0.114 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.215 1.946 -1.901 1.00 0.00 C ATOM 0 H LEU A 17 2.879 1.382 1.159 1.00 0.00 H new ATOM 0 HA LEU A 17 2.661 3.681 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.758 2.262 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.220 3.391 0.126 1.00 0.00 H new ATOM 0 HG LEU A 17 1.979 1.256 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.146 -0.451 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.645 -0.011 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.853 0.662 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.200 1.123 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.808 2.223 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.723 2.802 -2.345 1.00 0.00 H new ATOM 290 N HIS A 18 2.399 4.276 2.623 1.00 0.00 N ATOM 291 CA HIS A 18 2.357 5.400 3.630 1.00 0.00 C ATOM 292 C HIS A 18 3.688 6.181 3.714 1.00 0.00 C ATOM 293 O HIS A 18 3.686 7.328 4.123 1.00 0.00 O ATOM 294 CB HIS A 18 2.077 4.750 4.998 1.00 0.00 C ATOM 295 CG HIS A 18 0.614 4.445 5.135 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.325 5.394 5.536 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.107 3.316 4.879 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.529 4.791 5.480 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.427 3.573 5.078 1.00 0.00 N ATOM 0 H HIS A 18 2.459 3.343 3.031 1.00 0.00 H new ATOM 0 HA HIS A 18 1.591 6.116 3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.658 3.834 5.100 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.393 5.419 5.799 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.305 2.368 4.567 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.462 5.270 5.740 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.197 2.919 4.935 1.00 0.00 H new ATOM 307 N LEU A 19 4.818 5.567 3.369 1.00 0.00 N ATOM 308 CA LEU A 19 6.146 6.282 3.468 1.00 0.00 C ATOM 309 C LEU A 19 6.107 7.612 2.682 1.00 0.00 C ATOM 310 O LEU A 19 5.879 7.613 1.484 1.00 0.00 O ATOM 311 CB LEU A 19 7.202 5.326 2.875 1.00 0.00 C ATOM 312 CG LEU A 19 7.575 4.228 3.892 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.487 3.193 3.224 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.301 4.835 5.101 1.00 0.00 C ATOM 0 H LEU A 19 4.872 4.608 3.026 1.00 0.00 H new ATOM 0 HA LEU A 19 6.383 6.532 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.815 4.869 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.093 5.888 2.596 1.00 0.00 H new ATOM 0 HG LEU A 19 6.658 3.748 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.748 2.419 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.967 2.741 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.395 3.682 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.556 4.045 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.212 5.331 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.651 5.561 5.589 1.00 0.00 H new ATOM 326 N PRO A 20 6.299 8.713 3.405 1.00 0.00 N ATOM 327 CA PRO A 20 6.256 10.078 2.787 1.00 0.00 C ATOM 328 C PRO A 20 7.380 10.330 1.760 1.00 0.00 C ATOM 329 O PRO A 20 7.249 11.219 0.936 1.00 0.00 O ATOM 330 CB PRO A 20 6.395 11.018 3.987 1.00 0.00 C ATOM 331 CG PRO A 20 7.082 10.202 5.030 1.00 0.00 C ATOM 332 CD PRO A 20 6.579 8.799 4.853 1.00 0.00 C ATOM 0 HA PRO A 20 5.340 10.222 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.976 11.904 3.731 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.421 11.365 4.333 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.165 10.247 4.910 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.856 10.575 6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.322 8.064 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.683 8.616 5.447 1.00 0.00 H new ATOM 340 N ASN A 21 8.472 9.577 1.784 1.00 0.00 N ATOM 341 CA ASN A 21 9.564 9.815 0.788 1.00 0.00 C ATOM 342 C ASN A 21 9.605 8.702 -0.278 1.00 0.00 C ATOM 343 O ASN A 21 10.486 8.696 -1.123 1.00 0.00 O ATOM 344 CB ASN A 21 10.858 9.884 1.611 1.00 0.00 C ATOM 345 CG ASN A 21 10.831 11.133 2.505 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.712 12.239 2.019 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.932 11.005 3.801 1.00 0.00 N ATOM 0 H ASN A 21 8.644 8.820 2.445 1.00 0.00 H new ATOM 0 HA ASN A 21 9.410 10.736 0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.960 8.988 2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.722 9.917 0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.911 11.832 4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.032 10.079 4.216 1.00 0.00 H new ATOM 354 N LEU A 22 8.636 7.790 -0.287 1.00 0.00 N ATOM 355 CA LEU A 22 8.611 6.732 -1.341 1.00 0.00 C ATOM 356 C LEU A 22 7.848 7.259 -2.552 1.00 0.00 C ATOM 357 O LEU A 22 6.795 7.866 -2.425 1.00 0.00 O ATOM 358 CB LEU A 22 7.901 5.490 -0.754 1.00 0.00 C ATOM 359 CG LEU A 22 8.875 4.570 0.028 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.436 3.115 -0.131 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.302 4.688 -0.499 1.00 0.00 C ATOM 0 H LEU A 22 7.874 7.745 0.390 1.00 0.00 H new ATOM 0 HA LEU A 22 9.620 6.464 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.098 5.813 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.439 4.923 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 22 8.853 4.879 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.119 2.467 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.427 2.994 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.449 2.844 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.956 4.030 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.327 4.401 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.644 5.718 -0.396 1.00 0.00 H new ATOM 373 N ASN A 23 8.379 7.021 -3.719 1.00 0.00 N ATOM 374 CA ASN A 23 7.714 7.492 -4.980 1.00 0.00 C ATOM 375 C ASN A 23 7.159 6.302 -5.758 1.00 0.00 C ATOM 376 O ASN A 23 7.192 5.181 -5.292 1.00 0.00 O ATOM 377 CB ASN A 23 8.785 8.246 -5.804 1.00 0.00 C ATOM 378 CG ASN A 23 10.105 7.459 -5.869 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.203 6.484 -6.580 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.125 7.842 -5.147 1.00 0.00 N ATOM 0 H ASN A 23 9.254 6.516 -3.861 1.00 0.00 H new ATOM 0 HA ASN A 23 6.875 8.152 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.413 8.419 -6.814 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.965 9.225 -5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.000 7.320 -5.184 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.046 8.663 -4.547 1.00 0.00 H new ATOM 387 N GLU A 24 6.645 6.543 -6.936 1.00 0.00 N ATOM 388 CA GLU A 24 6.075 5.423 -7.759 1.00 0.00 C ATOM 389 C GLU A 24 7.172 4.409 -8.124 1.00 0.00 C ATOM 390 O GLU A 24 6.927 3.228 -8.136 1.00 0.00 O ATOM 391 CB GLU A 24 5.500 6.078 -9.025 1.00 0.00 C ATOM 392 CG GLU A 24 4.236 6.880 -8.670 1.00 0.00 C ATOM 393 CD GLU A 24 3.113 6.555 -9.659 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.069 7.178 -10.706 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.311 5.686 -9.349 1.00 0.00 O ATOM 0 H GLU A 24 6.593 7.466 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 24 5.308 4.876 -7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.244 6.735 -9.475 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.261 5.314 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.918 6.642 -7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.454 7.948 -8.693 1.00 0.00 H new ATOM 402 N GLU A 25 8.383 4.852 -8.392 1.00 0.00 N ATOM 403 CA GLU A 25 9.475 3.874 -8.730 1.00 0.00 C ATOM 404 C GLU A 25 9.765 2.968 -7.516 1.00 0.00 C ATOM 405 O GLU A 25 9.827 1.759 -7.648 1.00 0.00 O ATOM 406 CB GLU A 25 10.701 4.727 -9.090 1.00 0.00 C ATOM 407 CG GLU A 25 11.841 3.829 -9.588 1.00 0.00 C ATOM 408 CD GLU A 25 13.102 4.672 -9.824 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.676 5.138 -8.852 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.475 4.829 -10.975 1.00 0.00 O ATOM 0 H GLU A 25 8.660 5.834 -8.392 1.00 0.00 H new ATOM 0 HA GLU A 25 9.199 3.218 -9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.436 5.452 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.028 5.293 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.047 3.047 -8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.547 3.331 -10.512 1.00 0.00 H new ATOM 417 N GLN A 26 9.923 3.547 -6.337 1.00 0.00 N ATOM 418 CA GLN A 26 10.211 2.722 -5.109 1.00 0.00 C ATOM 419 C GLN A 26 8.952 2.015 -4.584 1.00 0.00 C ATOM 420 O GLN A 26 8.955 0.812 -4.420 1.00 0.00 O ATOM 421 CB GLN A 26 10.766 3.700 -4.056 1.00 0.00 C ATOM 422 CG GLN A 26 12.073 4.357 -4.549 1.00 0.00 C ATOM 423 CD GLN A 26 13.049 3.307 -5.115 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.266 2.268 -4.526 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.650 3.538 -6.247 1.00 0.00 N ATOM 0 H GLN A 26 9.865 4.552 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 26 10.924 1.930 -5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.025 4.470 -3.843 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.951 3.169 -3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.844 5.095 -5.318 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.547 4.891 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.474 4.408 -6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.296 2.849 -6.631 1.00 0.00 H new ATOM 434 N ARG A 27 7.890 2.749 -4.310 1.00 0.00 N ATOM 435 CA ARG A 27 6.634 2.119 -3.767 1.00 0.00 C ATOM 436 C ARG A 27 6.041 1.058 -4.721 1.00 0.00 C ATOM 437 O ARG A 27 5.690 -0.024 -4.288 1.00 0.00 O ATOM 438 CB ARG A 27 5.621 3.267 -3.617 1.00 0.00 C ATOM 439 CG ARG A 27 4.272 2.727 -3.129 1.00 0.00 C ATOM 440 CD ARG A 27 3.193 3.794 -3.303 1.00 0.00 C ATOM 441 NE ARG A 27 2.984 3.899 -4.783 1.00 0.00 N ATOM 442 CZ ARG A 27 3.042 5.062 -5.398 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.004 5.918 -5.129 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.143 5.358 -6.306 1.00 0.00 N ATOM 0 H ARG A 27 7.840 3.759 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 27 6.856 1.610 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.001 4.006 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.493 3.775 -4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.004 1.831 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.344 2.437 -2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.272 3.510 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.510 4.748 -2.881 1.00 0.00 H new ATOM 0 HE ARG A 27 2.794 3.055 -5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.716 5.684 -4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.038 6.816 -5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.406 4.690 -6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.181 6.257 -6.787 1.00 0.00 H new ATOM 458 N ASN A 28 5.894 1.368 -6.002 1.00 0.00 N ATOM 459 CA ASN A 28 5.282 0.372 -6.961 1.00 0.00 C ATOM 460 C ASN A 28 6.217 -0.825 -7.129 1.00 0.00 C ATOM 461 O ASN A 28 5.769 -1.956 -7.108 1.00 0.00 O ATOM 462 CB ASN A 28 5.082 1.080 -8.309 1.00 0.00 C ATOM 463 CG ASN A 28 4.251 2.370 -8.169 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.689 2.652 -7.133 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.151 3.174 -9.191 1.00 0.00 N ATOM 0 H ASN A 28 6.168 2.257 -6.419 1.00 0.00 H new ATOM 0 HA ASN A 28 4.327 0.010 -6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.054 1.321 -8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.585 0.403 -9.003 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.604 4.031 -9.114 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.620 2.946 -10.067 1.00 0.00 H new ATOM 472 N ALA A 29 7.517 -0.584 -7.252 1.00 0.00 N ATOM 473 CA ALA A 29 8.493 -1.726 -7.370 1.00 0.00 C ATOM 474 C ALA A 29 8.395 -2.601 -6.123 1.00 0.00 C ATOM 475 O ALA A 29 8.481 -3.810 -6.200 1.00 0.00 O ATOM 476 CB ALA A 29 9.860 -1.082 -7.422 1.00 0.00 C ATOM 0 H ALA A 29 7.935 0.346 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 29 8.298 -2.346 -8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.623 -1.855 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.917 -0.418 -8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.027 -0.508 -6.511 1.00 0.00 H new ATOM 482 N PHE A 30 8.184 -1.980 -4.978 1.00 0.00 N ATOM 483 CA PHE A 30 8.032 -2.745 -3.708 1.00 0.00 C ATOM 484 C PHE A 30 6.801 -3.597 -3.771 1.00 0.00 C ATOM 485 O PHE A 30 6.850 -4.749 -3.455 1.00 0.00 O ATOM 486 CB PHE A 30 7.906 -1.698 -2.608 1.00 0.00 C ATOM 487 CG PHE A 30 9.282 -1.208 -2.221 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.417 -2.010 -2.447 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.427 0.039 -1.622 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.664 -1.570 -2.078 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.689 0.474 -1.242 1.00 0.00 C ATOM 492 CZ PHE A 30 11.807 -0.342 -1.472 1.00 0.00 C ATOM 0 H PHE A 30 8.111 -0.968 -4.878 1.00 0.00 H new ATOM 0 HA PHE A 30 8.876 -3.410 -3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.295 -0.864 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.403 -2.125 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.306 -2.978 -2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.563 0.665 -1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.532 -2.186 -2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.810 1.438 -0.771 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.788 -0.004 -1.171 1.00 0.00 H new ATOM 502 N ILE A 31 5.716 -3.043 -4.224 1.00 0.00 N ATOM 503 CA ILE A 31 4.466 -3.834 -4.371 1.00 0.00 C ATOM 504 C ILE A 31 4.700 -4.947 -5.414 1.00 0.00 C ATOM 505 O ILE A 31 4.125 -6.001 -5.300 1.00 0.00 O ATOM 506 CB ILE A 31 3.414 -2.808 -4.776 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.235 -1.836 -3.607 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.098 -3.495 -5.072 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.533 -0.574 -4.068 1.00 0.00 C ATOM 0 H ILE A 31 5.640 -2.065 -4.502 1.00 0.00 H new ATOM 0 HA ILE A 31 4.142 -4.352 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 31 3.733 -2.278 -5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.656 -2.313 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.207 -1.584 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.356 -2.751 -5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.234 -4.206 -5.887 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.755 -4.024 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.414 0.105 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.127 -0.090 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.552 -0.829 -4.469 1.00 0.00 H new ATOM 521 N GLN A 32 5.592 -4.747 -6.386 1.00 0.00 N ATOM 522 CA GLN A 32 5.900 -5.844 -7.374 1.00 0.00 C ATOM 523 C GLN A 32 6.718 -6.946 -6.660 1.00 0.00 C ATOM 524 O GLN A 32 6.367 -8.109 -6.707 1.00 0.00 O ATOM 525 CB GLN A 32 6.711 -5.183 -8.499 1.00 0.00 C ATOM 526 CG GLN A 32 5.799 -4.248 -9.305 1.00 0.00 C ATOM 527 CD GLN A 32 6.616 -3.484 -10.351 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.997 -2.353 -10.132 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.898 -4.056 -11.493 1.00 0.00 N ATOM 0 H GLN A 32 6.109 -3.879 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 32 5.003 -6.313 -7.779 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.545 -4.621 -8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.136 -5.945 -9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.016 -4.826 -9.796 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.304 -3.545 -8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.579 -5.007 -11.680 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.437 -3.551 -12.197 1.00 0.00 H new ATOM 538 N SER A 33 7.771 -6.563 -5.953 1.00 0.00 N ATOM 539 CA SER A 33 8.601 -7.554 -5.166 1.00 0.00 C ATOM 540 C SER A 33 7.794 -8.121 -3.973 1.00 0.00 C ATOM 541 O SER A 33 8.034 -9.221 -3.526 1.00 0.00 O ATOM 542 CB SER A 33 9.827 -6.768 -4.679 1.00 0.00 C ATOM 543 OG SER A 33 9.414 -5.551 -4.071 1.00 0.00 O ATOM 0 H SER A 33 8.093 -5.597 -5.888 1.00 0.00 H new ATOM 0 HA SER A 33 8.892 -8.411 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.393 -7.367 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.491 -6.558 -5.517 1.00 0.00 H new ATOM 0 HG SER A 33 8.444 -5.566 -3.935 1.00 0.00 H new ATOM 549 N LEU A 34 6.850 -7.358 -3.470 1.00 0.00 N ATOM 550 CA LEU A 34 6.000 -7.784 -2.309 1.00 0.00 C ATOM 551 C LEU A 34 4.837 -8.687 -2.780 1.00 0.00 C ATOM 552 O LEU A 34 4.579 -9.716 -2.180 1.00 0.00 O ATOM 553 CB LEU A 34 5.505 -6.441 -1.743 1.00 0.00 C ATOM 554 CG LEU A 34 4.784 -6.597 -0.411 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.778 -6.912 0.688 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.100 -5.277 -0.081 1.00 0.00 C ATOM 0 H LEU A 34 6.627 -6.429 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 34 6.530 -8.381 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.354 -5.769 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.833 -5.973 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 34 4.059 -7.408 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.250 -7.021 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.298 -7.841 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.502 -6.101 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.577 -5.366 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.848 -4.487 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.385 -5.031 -0.866 1.00 0.00 H new ATOM 568 N LYS A 35 4.142 -8.311 -3.853 1.00 0.00 N ATOM 569 CA LYS A 35 2.997 -9.151 -4.372 1.00 0.00 C ATOM 570 C LYS A 35 3.520 -10.498 -4.910 1.00 0.00 C ATOM 571 O LYS A 35 2.839 -11.505 -4.813 1.00 0.00 O ATOM 572 CB LYS A 35 2.298 -8.326 -5.498 1.00 0.00 C ATOM 573 CG LYS A 35 1.110 -7.530 -4.962 1.00 0.00 C ATOM 574 CD LYS A 35 0.159 -8.473 -4.210 1.00 0.00 C ATOM 575 CE LYS A 35 -1.273 -7.936 -4.255 1.00 0.00 C ATOM 576 NZ LYS A 35 -2.149 -9.150 -4.276 1.00 0.00 N ATOM 0 H LYS A 35 4.323 -7.460 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 35 2.288 -9.381 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.018 -7.644 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.959 -8.999 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.458 -6.741 -4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.583 -7.045 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.195 -9.467 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.483 -8.576 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.487 -7.312 -3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.434 -7.319 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.971 -8.996 -3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.475 -9.326 -5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.610 -9.973 -3.937 1.00 0.00 H new ATOM 590 N ASP A 36 4.722 -10.524 -5.465 1.00 0.00 N ATOM 591 CA ASP A 36 5.297 -11.807 -6.001 1.00 0.00 C ATOM 592 C ASP A 36 6.178 -12.533 -4.954 1.00 0.00 C ATOM 593 O ASP A 36 6.237 -13.750 -4.951 1.00 0.00 O ATOM 594 CB ASP A 36 6.124 -11.399 -7.230 1.00 0.00 C ATOM 595 CG ASP A 36 5.185 -11.005 -8.383 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.730 -11.896 -9.081 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.932 -9.821 -8.545 1.00 0.00 O ATOM 0 H ASP A 36 5.326 -9.709 -5.568 1.00 0.00 H new ATOM 0 HA ASP A 36 4.507 -12.515 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.777 -10.563 -6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.766 -12.224 -7.538 1.00 0.00 H new ATOM 602 N ASP A 37 6.859 -11.808 -4.070 1.00 0.00 N ATOM 603 CA ASP A 37 7.728 -12.479 -3.035 1.00 0.00 C ATOM 604 C ASP A 37 7.214 -12.187 -1.606 1.00 0.00 C ATOM 605 O ASP A 37 7.449 -11.114 -1.071 1.00 0.00 O ATOM 606 CB ASP A 37 9.143 -11.907 -3.236 1.00 0.00 C ATOM 607 CG ASP A 37 10.182 -12.921 -2.744 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.273 -13.115 -1.542 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.868 -13.490 -3.577 1.00 0.00 O ATOM 0 H ASP A 37 6.847 -10.789 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 37 7.716 -13.563 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.309 -11.683 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.248 -10.969 -2.690 1.00 0.00 H new ATOM 614 N PRO A 38 6.520 -13.163 -1.033 1.00 0.00 N ATOM 615 CA PRO A 38 5.964 -13.017 0.349 1.00 0.00 C ATOM 616 C PRO A 38 7.062 -12.994 1.436 1.00 0.00 C ATOM 617 O PRO A 38 6.957 -12.254 2.395 1.00 0.00 O ATOM 618 CB PRO A 38 5.079 -14.255 0.504 1.00 0.00 C ATOM 619 CG PRO A 38 5.655 -15.255 -0.438 1.00 0.00 C ATOM 620 CD PRO A 38 6.176 -14.477 -1.607 1.00 0.00 C ATOM 0 HA PRO A 38 5.432 -12.074 0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.092 -14.624 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.041 -14.032 0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.454 -15.823 0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.898 -15.973 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.047 -14.959 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.426 -14.386 -2.393 1.00 0.00 H new ATOM 628 N SER A 39 8.095 -13.815 1.305 1.00 0.00 N ATOM 629 CA SER A 39 9.187 -13.852 2.351 1.00 0.00 C ATOM 630 C SER A 39 9.990 -12.536 2.399 1.00 0.00 C ATOM 631 O SER A 39 10.454 -12.142 3.456 1.00 0.00 O ATOM 632 CB SER A 39 10.094 -15.037 1.971 1.00 0.00 C ATOM 633 OG SER A 39 10.838 -14.737 0.794 1.00 0.00 O ATOM 0 H SER A 39 8.227 -14.457 0.523 1.00 0.00 H new ATOM 0 HA SER A 39 8.761 -13.971 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.775 -15.259 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.489 -15.929 1.809 1.00 0.00 H new ATOM 0 HG SER A 39 10.300 -14.170 0.203 1.00 0.00 H new ATOM 639 N GLN A 40 10.151 -11.851 1.279 1.00 0.00 N ATOM 640 CA GLN A 40 10.917 -10.558 1.279 1.00 0.00 C ATOM 641 C GLN A 40 10.036 -9.379 1.740 1.00 0.00 C ATOM 642 O GLN A 40 10.521 -8.278 1.825 1.00 0.00 O ATOM 643 CB GLN A 40 11.349 -10.340 -0.183 1.00 0.00 C ATOM 644 CG GLN A 40 12.528 -9.363 -0.243 1.00 0.00 C ATOM 645 CD GLN A 40 12.822 -9.004 -1.704 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.090 -8.251 -2.315 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.869 -9.517 -2.297 1.00 0.00 N ATOM 0 H GLN A 40 9.785 -12.134 0.370 1.00 0.00 H new ATOM 0 HA GLN A 40 11.762 -10.606 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.632 -11.292 -0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.513 -9.949 -0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.296 -8.462 0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.409 -9.811 0.217 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.485 -10.149 -1.787 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.069 -9.285 -3.270 1.00 0.00 H new ATOM 656 N SER A 41 8.751 -9.581 2.000 1.00 0.00 N ATOM 657 CA SER A 41 7.851 -8.435 2.396 1.00 0.00 C ATOM 658 C SER A 41 8.390 -7.599 3.567 1.00 0.00 C ATOM 659 O SER A 41 8.414 -6.387 3.468 1.00 0.00 O ATOM 660 CB SER A 41 6.500 -9.070 2.757 1.00 0.00 C ATOM 661 OG SER A 41 6.635 -9.897 3.909 1.00 0.00 O ATOM 0 H SER A 41 8.291 -10.490 1.954 1.00 0.00 H new ATOM 0 HA SER A 41 7.775 -7.728 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.762 -8.290 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.132 -9.661 1.918 1.00 0.00 H new ATOM 0 HG SER A 41 6.749 -10.830 3.631 1.00 0.00 H new ATOM 667 N ALA A 42 8.829 -8.201 4.660 1.00 0.00 N ATOM 668 CA ALA A 42 9.377 -7.361 5.787 1.00 0.00 C ATOM 669 C ALA A 42 10.600 -6.591 5.295 1.00 0.00 C ATOM 670 O ALA A 42 10.688 -5.393 5.471 1.00 0.00 O ATOM 671 CB ALA A 42 9.827 -8.320 6.855 1.00 0.00 C ATOM 0 H ALA A 42 8.832 -9.209 4.818 1.00 0.00 H new ATOM 0 HA ALA A 42 8.627 -6.659 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.234 -7.761 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.978 -8.915 7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.596 -8.979 6.452 1.00 0.00 H new ATOM 677 N ASN A 43 11.520 -7.284 4.640 1.00 0.00 N ATOM 678 CA ASN A 43 12.731 -6.620 4.064 1.00 0.00 C ATOM 679 C ASN A 43 12.285 -5.529 3.110 1.00 0.00 C ATOM 680 O ASN A 43 12.876 -4.488 3.067 1.00 0.00 O ATOM 681 CB ASN A 43 13.457 -7.686 3.259 1.00 0.00 C ATOM 682 CG ASN A 43 14.495 -8.399 4.132 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.336 -9.559 4.455 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.559 -7.753 4.531 1.00 0.00 N ATOM 0 H ASN A 43 11.474 -8.291 4.484 1.00 0.00 H new ATOM 0 HA ASN A 43 13.361 -6.192 4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.740 -8.409 2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.947 -7.230 2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.253 -8.223 5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.695 -6.779 4.261 1.00 0.00 H new ATOM 691 N LEU A 44 11.223 -5.780 2.362 1.00 0.00 N ATOM 692 CA LEU A 44 10.685 -4.765 1.408 1.00 0.00 C ATOM 693 C LEU A 44 10.218 -3.568 2.156 1.00 0.00 C ATOM 694 O LEU A 44 10.505 -2.453 1.763 1.00 0.00 O ATOM 695 CB LEU A 44 9.535 -5.423 0.683 1.00 0.00 C ATOM 696 CG LEU A 44 10.124 -6.322 -0.371 1.00 0.00 C ATOM 697 CD1 LEU A 44 8.988 -7.051 -1.065 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.927 -5.453 -1.338 1.00 0.00 C ATOM 0 H LEU A 44 10.707 -6.660 2.380 1.00 0.00 H new ATOM 0 HA LEU A 44 11.447 -4.434 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.921 -5.996 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.887 -4.673 0.230 1.00 0.00 H new ATOM 0 HG LEU A 44 10.794 -7.070 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.394 -7.709 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.436 -7.643 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.317 -6.325 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.365 -6.081 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.268 -4.716 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.721 -4.941 -0.794 1.00 0.00 H new ATOM 710 N LEU A 45 9.552 -3.770 3.263 1.00 0.00 N ATOM 711 CA LEU A 45 9.170 -2.592 4.049 1.00 0.00 C ATOM 712 C LEU A 45 10.457 -1.976 4.582 1.00 0.00 C ATOM 713 O LEU A 45 10.673 -0.828 4.392 1.00 0.00 O ATOM 714 CB LEU A 45 8.263 -3.064 5.168 1.00 0.00 C ATOM 715 CG LEU A 45 8.096 -1.955 6.216 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.789 -0.615 5.527 1.00 0.00 C ATOM 717 CD2 LEU A 45 6.952 -2.335 7.151 1.00 0.00 C ATOM 0 H LEU A 45 9.269 -4.676 3.637 1.00 0.00 H new ATOM 0 HA LEU A 45 8.635 -1.842 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.290 -3.343 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.682 -3.956 5.634 1.00 0.00 H new ATOM 0 HG LEU A 45 9.019 -1.845 6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.673 0.164 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.609 -0.353 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.867 -0.704 4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.821 -1.556 7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.032 -2.442 6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.184 -3.279 7.644 1.00 0.00 H new ATOM 729 N ALA A 46 11.332 -2.750 5.198 1.00 0.00 N ATOM 730 CA ALA A 46 12.634 -2.177 5.706 1.00 0.00 C ATOM 731 C ALA A 46 13.378 -1.412 4.613 1.00 0.00 C ATOM 732 O ALA A 46 13.849 -0.330 4.858 1.00 0.00 O ATOM 733 CB ALA A 46 13.490 -3.376 6.073 1.00 0.00 C ATOM 0 H ALA A 46 11.203 -3.747 5.370 1.00 0.00 H new ATOM 0 HA ALA A 46 12.441 -1.494 6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.453 -3.033 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.986 -3.961 6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.646 -3.996 5.190 1.00 0.00 H new ATOM 739 N GLU A 47 13.479 -1.957 3.412 1.00 0.00 N ATOM 740 CA GLU A 47 14.178 -1.216 2.318 1.00 0.00 C ATOM 741 C GLU A 47 13.320 -0.005 1.946 1.00 0.00 C ATOM 742 O GLU A 47 13.850 1.059 1.714 1.00 0.00 O ATOM 743 CB GLU A 47 14.445 -2.186 1.151 1.00 0.00 C ATOM 744 CG GLU A 47 13.196 -2.829 0.612 1.00 0.00 C ATOM 745 CD GLU A 47 13.608 -4.030 -0.254 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.729 -5.116 0.294 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.812 -3.845 -1.441 1.00 0.00 O ATOM 0 H GLU A 47 13.110 -2.872 3.153 1.00 0.00 H new ATOM 0 HA GLU A 47 15.153 -0.836 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.943 -1.646 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.131 -2.965 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.552 -3.153 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.625 -2.113 0.021 1.00 0.00 H new ATOM 754 N ALA A 48 11.997 -0.128 1.969 1.00 0.00 N ATOM 755 CA ALA A 48 11.139 1.062 1.729 1.00 0.00 C ATOM 756 C ALA A 48 11.330 2.077 2.886 1.00 0.00 C ATOM 757 O ALA A 48 11.420 3.269 2.658 1.00 0.00 O ATOM 758 CB ALA A 48 9.732 0.493 1.730 1.00 0.00 C ATOM 0 H ALA A 48 11.495 -0.999 2.143 1.00 0.00 H new ATOM 0 HA ALA A 48 11.370 1.592 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.015 1.296 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.640 -0.250 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.530 0.024 2.693 1.00 0.00 H new ATOM 764 N LYS A 49 11.457 1.583 4.114 1.00 0.00 N ATOM 765 CA LYS A 49 11.713 2.445 5.316 1.00 0.00 C ATOM 766 C LYS A 49 13.097 3.078 5.137 1.00 0.00 C ATOM 767 O LYS A 49 13.310 4.253 5.373 1.00 0.00 O ATOM 768 CB LYS A 49 11.731 1.450 6.501 1.00 0.00 C ATOM 769 CG LYS A 49 10.337 0.863 6.765 1.00 0.00 C ATOM 770 CD LYS A 49 9.342 1.958 7.098 1.00 0.00 C ATOM 771 CE LYS A 49 9.616 2.465 8.509 1.00 0.00 C ATOM 772 NZ LYS A 49 8.409 3.254 8.898 1.00 0.00 N ATOM 0 H LYS A 49 11.390 0.588 4.327 1.00 0.00 H new ATOM 0 HA LYS A 49 10.980 3.237 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.432 0.643 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.089 1.957 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.998 0.313 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.388 0.150 7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.427 2.775 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.324 1.576 7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.780 1.636 9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.513 3.084 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.535 3.630 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.280 4.042 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.570 2.640 8.874 1.00 0.00 H new ATOM 786 N LYS A 50 14.010 2.260 4.660 1.00 0.00 N ATOM 787 CA LYS A 50 15.409 2.678 4.352 1.00 0.00 C ATOM 788 C LYS A 50 15.377 3.751 3.252 1.00 0.00 C ATOM 789 O LYS A 50 16.110 4.722 3.305 1.00 0.00 O ATOM 790 CB LYS A 50 16.058 1.350 3.884 1.00 0.00 C ATOM 791 CG LYS A 50 17.254 1.556 2.946 1.00 0.00 C ATOM 792 CD LYS A 50 17.343 0.348 1.996 1.00 0.00 C ATOM 793 CE LYS A 50 17.828 -0.891 2.766 1.00 0.00 C ATOM 794 NZ LYS A 50 18.067 -1.940 1.729 1.00 0.00 N ATOM 0 H LYS A 50 13.827 1.276 4.465 1.00 0.00 H new ATOM 0 HA LYS A 50 15.960 3.125 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.384 0.785 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.306 0.746 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.135 2.478 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.174 1.654 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.367 0.151 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.028 0.569 1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.740 -0.675 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.083 -1.219 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.400 -2.812 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.181 -2.133 1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.787 -1.606 1.057 1.00 0.00 H new ATOM 808 N LEU A 51 14.504 3.579 2.275 1.00 0.00 N ATOM 809 CA LEU A 51 14.369 4.580 1.170 1.00 0.00 C ATOM 810 C LEU A 51 13.724 5.858 1.688 1.00 0.00 C ATOM 811 O LEU A 51 14.058 6.936 1.255 1.00 0.00 O ATOM 812 CB LEU A 51 13.446 3.924 0.137 1.00 0.00 C ATOM 813 CG LEU A 51 14.239 3.330 -1.032 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.587 2.772 -0.573 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.426 2.197 -1.629 1.00 0.00 C ATOM 0 H LEU A 51 13.877 2.778 2.202 1.00 0.00 H new ATOM 0 HA LEU A 51 15.339 4.847 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.862 3.139 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.739 4.662 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 51 14.426 4.118 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.121 2.359 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.179 3.571 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.423 1.987 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.972 1.758 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.251 1.435 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.470 2.582 -1.983 1.00 0.00 H new ATOM 827 N ASN A 52 12.794 5.734 2.609 1.00 0.00 N ATOM 828 CA ASN A 52 12.111 6.933 3.175 1.00 0.00 C ATOM 829 C ASN A 52 13.147 7.878 3.814 1.00 0.00 C ATOM 830 O ASN A 52 13.097 9.076 3.619 1.00 0.00 O ATOM 831 CB ASN A 52 11.144 6.388 4.228 1.00 0.00 C ATOM 832 CG ASN A 52 10.212 7.503 4.689 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.339 7.918 3.959 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.370 8.014 5.876 1.00 0.00 N ATOM 0 H ASN A 52 12.480 4.843 2.993 1.00 0.00 H new ATOM 0 HA ASN A 52 11.586 7.509 2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.564 5.564 3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.700 5.991 5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.758 8.766 6.193 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.106 7.663 6.489 1.00 0.00 H new ATOM 841 N ASP A 53 14.097 7.329 4.550 1.00 0.00 N ATOM 842 CA ASP A 53 15.162 8.178 5.190 1.00 0.00 C ATOM 843 C ASP A 53 16.244 8.563 4.161 1.00 0.00 C ATOM 844 O ASP A 53 16.737 9.676 4.172 1.00 0.00 O ATOM 845 CB ASP A 53 15.773 7.316 6.308 1.00 0.00 C ATOM 846 CG ASP A 53 14.699 6.923 7.338 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.056 7.812 7.879 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.539 5.736 7.568 1.00 0.00 O ATOM 0 H ASP A 53 14.179 6.329 4.734 1.00 0.00 H new ATOM 0 HA ASP A 53 14.746 9.108 5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.219 6.419 5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.574 7.866 6.802 1.00 0.00 H new ATOM 853 N ALA A 54 16.607 7.650 3.273 1.00 0.00 N ATOM 854 CA ALA A 54 17.653 7.952 2.226 1.00 0.00 C ATOM 855 C ALA A 54 17.121 8.986 1.218 1.00 0.00 C ATOM 856 O ALA A 54 17.815 9.922 0.859 1.00 0.00 O ATOM 857 CB ALA A 54 17.931 6.616 1.531 1.00 0.00 C ATOM 0 H ALA A 54 16.222 6.707 3.230 1.00 0.00 H new ATOM 0 HA ALA A 54 18.557 8.375 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.684 6.759 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.296 5.894 2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.012 6.242 1.080 1.00 0.00 H new ATOM 863 N GLN A 55 15.883 8.832 0.789 1.00 0.00 N ATOM 864 CA GLN A 55 15.258 9.807 -0.172 1.00 0.00 C ATOM 865 C GLN A 55 14.603 10.987 0.593 1.00 0.00 C ATOM 866 O GLN A 55 13.954 11.825 -0.013 1.00 0.00 O ATOM 867 CB GLN A 55 14.180 9.018 -0.928 1.00 0.00 C ATOM 868 CG GLN A 55 14.801 7.835 -1.695 1.00 0.00 C ATOM 869 CD GLN A 55 13.705 7.125 -2.494 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.820 6.956 -3.691 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.633 6.707 -1.875 1.00 0.00 N ATOM 0 H GLN A 55 15.273 8.063 1.068 1.00 0.00 H new ATOM 0 HA GLN A 55 16.004 10.229 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.433 8.649 -0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.663 9.677 -1.625 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.584 8.191 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.269 7.139 -0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.537 6.849 -0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.893 6.239 -2.397 1.00 0.00 H new ATOM 880 N ALA A 56 14.754 11.053 1.914 1.00 0.00 N ATOM 881 CA ALA A 56 14.132 12.163 2.712 1.00 0.00 C ATOM 882 C ALA A 56 14.781 13.516 2.408 1.00 0.00 C ATOM 883 O ALA A 56 15.899 13.577 1.920 1.00 0.00 O ATOM 884 CB ALA A 56 14.368 11.809 4.184 1.00 0.00 C ATOM 0 H ALA A 56 15.285 10.379 2.465 1.00 0.00 H new ATOM 0 HA ALA A 56 13.074 12.255 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.936 12.583 4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.897 10.852 4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.439 11.740 4.374 1.00 0.00 H new ATOM 1014 N ASN B 6 0.274 -6.016 -8.660 1.00 0.00 N ATOM 1015 CA ASN B 6 1.172 -4.990 -7.998 1.00 0.00 C ATOM 1016 C ASN B 6 1.026 -3.605 -8.657 1.00 0.00 C ATOM 1017 O ASN B 6 1.031 -2.590 -7.981 1.00 0.00 O ATOM 1018 CB ASN B 6 2.634 -5.503 -8.121 1.00 0.00 C ATOM 1019 CG ASN B 6 2.895 -6.229 -9.461 1.00 0.00 C ATOM 1020 OD1 ASN B 6 3.112 -5.542 -10.551 1.00 0.00 O flip ATOM 1021 ND2 ASN B 6 2.897 -7.443 -9.508 1.00 0.00 N flip ATOM 0 HA ASN B 6 0.891 -4.870 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.320 -4.661 -8.028 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.848 -6.182 -7.296 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.728 -7.986 -8.661 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.067 -7.919 -10.394 1.00 0.00 H new ATOM 1028 N LYS B 7 0.866 -3.568 -9.958 1.00 0.00 N ATOM 1029 CA LYS B 7 0.681 -2.261 -10.684 1.00 0.00 C ATOM 1030 C LYS B 7 -0.607 -1.579 -10.217 1.00 0.00 C ATOM 1031 O LYS B 7 -0.669 -0.367 -10.088 1.00 0.00 O ATOM 1032 CB LYS B 7 0.585 -2.632 -12.170 1.00 0.00 C ATOM 1033 CG LYS B 7 0.581 -1.362 -13.030 1.00 0.00 C ATOM 1034 CD LYS B 7 0.490 -1.738 -14.515 1.00 0.00 C ATOM 1035 CE LYS B 7 -0.937 -2.206 -14.855 1.00 0.00 C ATOM 1036 NZ LYS B 7 -1.693 -0.970 -15.228 1.00 0.00 N ATOM 0 H LYS B 7 0.855 -4.393 -10.558 1.00 0.00 H new ATOM 0 HA LYS B 7 1.499 -1.566 -10.494 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.425 -3.267 -12.449 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.323 -3.207 -12.352 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -0.262 -0.728 -12.754 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.488 -0.785 -12.847 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.757 -0.880 -15.132 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.205 -2.529 -14.742 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -0.928 -2.922 -15.677 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -1.399 -2.705 -14.003 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.672 -1.222 -15.470 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -1.694 -0.308 -14.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.239 -0.519 -16.048 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.622 -2.360 -9.953 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.919 -1.800 -9.470 1.00 0.00 C ATOM 1052 C GLU B 8 -2.784 -1.239 -8.063 1.00 0.00 C ATOM 1053 O GLU B 8 -3.395 -0.245 -7.760 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.919 -2.961 -9.508 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.706 -2.920 -10.817 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.370 -4.281 -11.060 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.487 -4.469 -10.606 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -4.744 -5.115 -11.699 1.00 0.00 O ATOM 0 H GLU B 8 -1.607 -3.375 -10.053 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.250 -0.971 -10.096 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.392 -3.911 -9.419 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.601 -2.894 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.463 -2.137 -10.774 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.041 -2.675 -11.645 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.965 -1.821 -7.216 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.798 -1.240 -5.843 1.00 0.00 C ATOM 1067 C LEU B 9 -0.926 0.010 -5.917 1.00 0.00 C ATOM 1068 O LEU B 9 -0.957 0.840 -5.027 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.125 -2.263 -4.939 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.726 -3.662 -5.102 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.679 -4.702 -4.651 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -3.003 -3.733 -4.233 1.00 0.00 C ATOM 0 H LEU B 9 -1.414 -2.657 -7.410 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.777 -0.979 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.059 -2.299 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.221 -1.947 -3.900 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.990 -3.871 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.092 -5.705 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.216 -4.608 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.420 -4.529 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.454 -4.721 -4.329 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.744 -3.553 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.713 -2.976 -4.567 1.00 0.00 H new ATOM 1084 N SER B 10 -0.169 0.168 -6.981 1.00 0.00 N ATOM 1085 CA SER B 10 0.662 1.383 -7.126 1.00 0.00 C ATOM 1086 C SER B 10 -0.299 2.578 -7.271 1.00 0.00 C ATOM 1087 O SER B 10 -0.210 3.554 -6.542 1.00 0.00 O ATOM 1088 CB SER B 10 1.494 1.137 -8.407 1.00 0.00 C ATOM 1089 OG SER B 10 1.487 2.292 -9.246 1.00 0.00 O ATOM 0 H SER B 10 -0.099 -0.499 -7.749 1.00 0.00 H new ATOM 0 HA SER B 10 1.323 1.592 -6.285 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.519 0.884 -8.137 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.088 0.284 -8.951 1.00 0.00 H new ATOM 0 HG SER B 10 1.881 2.068 -10.115 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.246 2.466 -8.195 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.246 3.562 -8.423 1.00 0.00 C ATOM 1097 C VAL B 11 -3.380 3.473 -7.388 1.00 0.00 C ATOM 1098 O VAL B 11 -3.662 4.432 -6.691 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.789 3.336 -9.852 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.608 4.553 -10.293 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.627 3.122 -10.839 1.00 0.00 C ATOM 0 H VAL B 11 -1.362 1.653 -8.800 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.799 4.550 -8.317 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.422 2.448 -9.847 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.989 4.389 -11.301 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.444 4.697 -9.608 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.975 5.440 -10.284 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.025 2.964 -11.841 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.983 4.001 -10.839 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.049 2.249 -10.537 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.021 2.320 -7.289 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.139 2.136 -6.306 1.00 0.00 C ATOM 1113 C ALA B 12 -4.641 2.301 -4.880 1.00 0.00 C ATOM 1114 O ALA B 12 -5.158 3.100 -4.138 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.668 0.700 -6.511 1.00 0.00 C ATOM 0 H ALA B 12 -3.811 1.497 -7.854 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.918 2.881 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.487 0.512 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.026 0.587 -7.534 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.865 -0.013 -6.326 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.637 1.547 -4.521 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.069 1.579 -3.148 1.00 0.00 C ATOM 1123 C GLY B 13 -2.590 2.952 -2.753 1.00 0.00 C ATOM 1124 O GLY B 13 -2.996 3.464 -1.724 1.00 0.00 O ATOM 0 H GLY B 13 -3.174 0.889 -5.147 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.825 1.243 -2.438 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.238 0.876 -3.086 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.698 3.528 -3.520 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.163 4.863 -3.125 1.00 0.00 C ATOM 1130 C ARG B 14 -2.294 5.896 -2.959 1.00 0.00 C ATOM 1131 O ARG B 14 -2.262 6.676 -2.037 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.159 5.295 -4.188 1.00 0.00 C ATOM 1133 CG ARG B 14 0.625 6.520 -3.684 1.00 0.00 C ATOM 1134 CD ARG B 14 1.183 6.266 -2.268 1.00 0.00 C ATOM 1135 NE ARG B 14 2.525 6.912 -2.250 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.729 8.011 -1.567 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.416 7.969 -0.451 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.252 9.153 -2.004 1.00 0.00 N ATOM 0 H ARG B 14 -1.324 3.139 -4.386 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.670 4.796 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.526 4.477 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.677 5.538 -5.116 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.444 6.741 -4.369 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -0.025 7.395 -3.672 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.531 6.693 -1.506 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.258 5.198 -2.061 1.00 0.00 H new ATOM 0 HE ARG B 14 3.293 6.494 -2.775 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.791 7.081 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.576 8.824 0.082 1.00 0.00 H new ATOM 0 HH21 ARG B 14 1.723 9.185 -2.875 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.411 10.009 -1.472 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.304 5.891 -3.807 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.425 6.881 -3.625 1.00 0.00 C ATOM 1154 C GLU B 15 -5.229 6.564 -2.338 1.00 0.00 C ATOM 1155 O GLU B 15 -5.557 7.466 -1.595 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.293 6.777 -4.878 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.561 7.387 -6.086 1.00 0.00 C ATOM 1158 CD GLU B 15 -4.261 8.873 -5.834 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.204 9.636 -5.678 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -3.091 9.218 -5.786 1.00 0.00 O ATOM 0 H GLU B 15 -3.401 5.259 -4.601 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.050 7.897 -3.504 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.531 5.732 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.239 7.295 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.632 6.847 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -5.172 7.279 -6.982 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.486 5.289 -2.053 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.220 4.866 -0.781 1.00 0.00 C ATOM 1169 C ILE B 16 -5.444 5.353 0.455 1.00 0.00 C ATOM 1170 O ILE B 16 -6.011 5.700 1.478 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.191 3.312 -0.760 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -6.808 2.734 -2.061 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.911 2.780 0.503 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -8.100 1.957 -1.835 1.00 0.00 C ATOM 0 H ILE B 16 -5.215 4.511 -2.655 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.230 5.275 -0.765 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.154 2.978 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -7.003 3.552 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -6.079 2.079 -2.538 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.884 1.690 0.506 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.409 3.158 1.394 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.948 3.117 0.500 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.472 1.584 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -7.908 1.117 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -8.846 2.614 -1.387 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.141 5.325 0.348 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.237 5.721 1.463 1.00 0.00 C ATOM 1188 C VAL B 17 -2.921 7.239 1.439 1.00 0.00 C ATOM 1189 O VAL B 17 -2.325 7.746 2.376 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.998 4.823 1.211 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.006 5.433 0.233 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.297 4.484 2.500 1.00 0.00 C ATOM 0 H VAL B 17 -3.652 5.033 -0.498 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.661 5.577 2.457 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.384 3.910 0.757 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.163 4.755 0.100 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.495 5.596 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.648 6.385 0.624 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.433 3.854 2.289 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.967 5.402 2.987 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.983 3.951 3.158 1.00 0.00 H new ATOM 1202 N THR B 18 -3.297 7.964 0.385 1.00 0.00 N ATOM 1203 CA THR B 18 -2.983 9.434 0.332 1.00 0.00 C ATOM 1204 C THR B 18 -4.217 10.347 0.411 1.00 0.00 C ATOM 1205 O THR B 18 -4.027 11.541 0.591 1.00 0.00 O ATOM 1206 CB THR B 18 -2.248 9.688 -0.996 1.00 0.00 C ATOM 1207 OG1 THR B 18 -3.059 9.280 -2.091 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.925 8.927 -1.009 1.00 0.00 C ATOM 0 H THR B 18 -3.800 7.598 -0.424 1.00 0.00 H new ATOM 0 HA THR B 18 -2.381 9.680 1.207 1.00 0.00 H new ATOM 0 HB THR B 18 -2.045 10.755 -1.091 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.866 8.345 -2.311 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.409 9.110 -1.951 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.302 9.267 -0.182 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.118 7.860 -0.903 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.471 9.871 0.291 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.585 10.881 0.393 1.00 0.00 C ATOM 1218 C LEU B 19 -6.587 11.488 1.836 1.00 0.00 C ATOM 1219 O LEU B 19 -6.344 10.789 2.808 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.941 10.286 -0.142 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.523 9.054 0.575 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -7.765 7.758 0.245 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.551 9.296 2.058 1.00 0.00 C ATOM 0 H LEU B 19 -5.741 8.899 0.139 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.426 11.732 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.690 11.077 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.801 10.026 -1.191 1.00 0.00 H new ATOM 0 HG LEU B 19 -9.540 8.913 0.209 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -8.220 6.924 0.779 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -7.813 7.572 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -6.723 7.858 0.550 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.964 8.422 2.562 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -7.538 9.477 2.416 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -9.172 10.165 2.273 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.705 12.809 1.896 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.559 13.573 3.187 1.00 0.00 C ATOM 1237 C PRO B 20 -7.682 13.398 4.229 1.00 0.00 C ATOM 1238 O PRO B 20 -7.452 13.669 5.397 1.00 0.00 O ATOM 1239 CB PRO B 20 -6.506 15.030 2.729 1.00 0.00 C ATOM 1240 CG PRO B 20 -7.220 15.055 1.419 1.00 0.00 C ATOM 1241 CD PRO B 20 -6.994 13.717 0.770 1.00 0.00 C ATOM 0 HA PRO B 20 -5.683 13.204 3.720 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -6.988 15.688 3.452 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -5.477 15.372 2.623 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -8.285 15.239 1.563 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -6.841 15.859 0.788 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -7.872 13.392 0.213 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.164 13.752 0.065 1.00 0.00 H new ATOM 1249 N ASN B 21 -8.880 13.005 3.854 1.00 0.00 N ATOM 1250 CA ASN B 21 -9.976 12.903 4.897 1.00 0.00 C ATOM 1251 C ASN B 21 -10.081 11.507 5.551 1.00 0.00 C ATOM 1252 O ASN B 21 -10.997 11.265 6.320 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.274 13.239 4.166 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.287 14.693 3.665 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.467 15.507 4.049 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.211 15.054 2.820 1.00 0.00 N ATOM 0 H ASN B 21 -9.149 12.756 2.902 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.760 13.585 5.719 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.401 12.562 3.321 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.120 13.077 4.834 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.246 16.016 2.482 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -12.900 14.375 2.496 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.164 10.598 5.278 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.238 9.236 5.917 1.00 0.00 C ATOM 1265 C LEU B 22 -8.464 9.215 7.240 1.00 0.00 C ATOM 1266 O LEU B 22 -7.527 9.973 7.436 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.552 8.276 4.942 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.505 7.161 4.498 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -9.002 6.546 3.181 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -9.565 6.076 5.576 1.00 0.00 C ATOM 0 H LEU B 22 -8.375 10.739 4.647 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.273 8.964 6.122 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -8.203 8.828 4.069 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.673 7.839 5.416 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.501 7.578 4.347 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -9.681 5.753 2.867 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -8.963 7.317 2.411 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -8.005 6.132 3.330 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -10.243 5.284 5.258 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.569 5.661 5.730 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -9.925 6.510 6.509 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.814 8.303 8.115 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.063 8.153 9.409 1.00 0.00 C ATOM 1284 C ASN B 23 -7.167 6.904 9.315 1.00 0.00 C ATOM 1285 O ASN B 23 -7.418 6.018 8.518 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.105 8.060 10.547 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.017 6.825 10.420 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.104 6.209 9.382 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.721 6.446 11.452 1.00 0.00 N ATOM 0 H ASN B 23 -9.590 7.652 7.991 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.411 9.003 9.613 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.588 8.027 11.506 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.718 8.961 10.547 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.338 5.637 11.379 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.654 6.959 12.331 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.101 6.858 10.087 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.128 5.704 10.008 1.00 0.00 C ATOM 1298 C ASP B 24 -5.753 4.276 10.108 1.00 0.00 C ATOM 1299 O ASP B 24 -5.257 3.398 9.424 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.049 5.946 11.095 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.630 5.894 12.513 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.121 6.915 12.971 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.562 4.839 13.123 1.00 0.00 O ATOM 0 H ASP B 24 -5.859 7.573 10.773 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.701 5.697 9.005 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.264 5.196 10.998 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.583 6.918 10.931 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.784 4.044 10.933 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.353 2.661 11.032 1.00 0.00 C ATOM 1310 C PRO B 25 -8.152 2.248 9.773 1.00 0.00 C ATOM 1311 O PRO B 25 -8.030 1.118 9.325 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.265 2.726 12.255 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.643 4.164 12.384 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.506 4.978 11.822 1.00 0.00 C ATOM 0 HA PRO B 25 -6.566 1.912 11.117 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.146 2.097 12.123 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.751 2.372 13.149 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.567 4.369 11.843 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.821 4.422 13.428 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.873 5.845 11.273 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.858 5.353 12.614 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.975 3.128 9.206 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.772 2.722 7.989 1.00 0.00 C ATOM 1324 C GLN B 26 -8.852 2.470 6.789 1.00 0.00 C ATOM 1325 O GLN B 26 -8.947 1.416 6.190 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.792 3.833 7.711 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.853 3.823 8.825 1.00 0.00 C ATOM 1328 CD GLN B 26 -13.060 4.670 8.415 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.986 4.167 7.810 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.100 5.936 8.720 1.00 0.00 N ATOM 0 H GLN B 26 -9.123 4.084 9.528 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.296 1.783 8.168 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.294 4.802 7.673 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.263 3.679 6.740 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.170 2.800 9.026 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.424 4.211 9.749 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.325 6.363 9.228 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.906 6.500 8.451 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.934 3.380 6.452 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.994 3.098 5.303 1.00 0.00 C ATOM 1341 C LYS B 27 -6.163 1.847 5.602 1.00 0.00 C ATOM 1342 O LYS B 27 -5.802 1.128 4.699 1.00 0.00 O ATOM 1343 CB LYS B 27 -6.045 4.286 5.064 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.842 5.190 6.282 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.678 6.142 6.004 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.179 7.401 5.280 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.344 8.438 6.340 1.00 0.00 N ATOM 0 H LYS B 27 -7.803 4.280 6.914 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.595 2.940 4.408 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -5.075 3.902 4.746 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.435 4.887 4.242 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.751 5.756 6.487 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.634 4.589 7.167 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.196 6.421 6.941 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.926 5.640 5.396 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.467 7.726 4.522 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.123 7.210 4.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -6.095 9.101 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.601 7.979 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.451 8.957 6.460 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.874 1.576 6.863 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.098 0.340 7.222 1.00 0.00 C ATOM 1363 C LYS B 28 -5.860 -0.885 6.698 1.00 0.00 C ATOM 1364 O LYS B 28 -5.363 -1.608 5.863 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.041 0.311 8.765 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.598 0.405 9.240 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.977 -0.990 9.270 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.449 -0.880 9.171 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.905 -2.000 10.000 1.00 0.00 N ATOM 0 H LYS B 28 -6.143 2.159 7.655 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.096 0.334 6.792 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.620 1.139 9.173 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.494 -0.608 9.136 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.027 1.054 8.576 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.560 0.853 10.233 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.255 -1.502 10.191 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.362 -1.588 8.444 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.117 -0.963 8.136 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.102 0.085 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.045 -2.253 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.850 -1.701 10.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.532 -2.826 9.921 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.092 -1.080 7.147 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.924 -2.228 6.638 1.00 0.00 C ATOM 1385 C ALA B 29 -8.176 -2.062 5.123 1.00 0.00 C ATOM 1386 O ALA B 29 -8.312 -3.033 4.406 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.244 -2.156 7.413 1.00 0.00 C ATOM 0 H ALA B 29 -7.552 -0.492 7.842 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.429 -3.189 6.782 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.899 -2.965 7.091 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.045 -2.253 8.480 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.728 -1.199 7.219 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.229 -0.826 4.647 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.455 -0.549 3.186 1.00 0.00 C ATOM 1395 C PHE B 30 -7.279 -1.049 2.352 1.00 0.00 C ATOM 1396 O PHE B 30 -7.454 -1.828 1.438 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.549 0.981 3.082 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.858 1.377 2.481 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.076 1.166 1.124 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.850 1.958 3.279 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.290 1.531 0.557 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -12.067 2.323 2.711 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.286 2.111 1.352 1.00 0.00 C ATOM 0 H PHE B 30 -8.123 0.010 5.222 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.348 -1.052 2.815 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.445 1.427 4.071 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.730 1.362 2.472 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.305 0.720 0.514 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.672 2.122 4.331 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.466 1.368 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.838 2.769 3.321 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.229 2.395 0.909 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.081 -0.618 2.675 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.876 -1.087 1.931 1.00 0.00 C ATOM 1415 C ILE B 31 -4.738 -2.604 2.146 1.00 0.00 C ATOM 1416 O ILE B 31 -4.429 -3.331 1.227 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.676 -0.346 2.561 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.565 1.113 2.034 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.363 -1.110 2.276 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.104 1.525 1.963 1.00 0.00 C ATOM 0 H ILE B 31 -5.890 0.043 3.428 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.936 -0.891 0.861 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.842 -0.305 3.637 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.022 1.189 1.047 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.112 1.789 2.691 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.526 -0.576 2.726 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.425 -2.112 2.701 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.210 -1.182 1.199 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.032 2.548 1.593 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.661 1.466 2.957 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.570 0.857 1.288 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.963 -3.073 3.368 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.851 -4.538 3.658 1.00 0.00 C ATOM 1434 C PHE B 32 -5.899 -5.317 2.825 1.00 0.00 C ATOM 1435 O PHE B 32 -5.594 -6.381 2.320 1.00 0.00 O ATOM 1436 CB PHE B 32 -5.042 -4.700 5.191 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.713 -4.443 5.927 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.013 -3.215 5.761 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.153 -5.435 6.785 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.814 -3.008 6.424 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.948 -5.193 7.422 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.288 -3.994 7.245 1.00 0.00 C ATOM 0 H PHE B 32 -5.219 -2.496 4.169 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.882 -4.949 3.375 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.802 -4.003 5.545 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.401 -5.704 5.415 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.416 -2.445 5.119 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.667 -6.372 6.937 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.286 -2.074 6.301 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.520 -5.949 8.063 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.350 -3.821 7.752 1.00 0.00 H new ATOM 1452 N SER B 33 -7.102 -4.774 2.603 1.00 0.00 N ATOM 1453 CA SER B 33 -8.094 -5.496 1.720 1.00 0.00 C ATOM 1454 C SER B 33 -7.672 -5.319 0.240 1.00 0.00 C ATOM 1455 O SER B 33 -7.842 -6.211 -0.565 1.00 0.00 O ATOM 1456 CB SER B 33 -9.477 -4.883 2.002 1.00 0.00 C ATOM 1457 OG SER B 33 -9.500 -3.515 1.630 1.00 0.00 O ATOM 0 H SER B 33 -7.424 -3.886 2.988 1.00 0.00 H new ATOM 0 HA SER B 33 -8.126 -6.566 1.923 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.242 -5.429 1.450 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.716 -4.982 3.061 1.00 0.00 H new ATOM 0 HG SER B 33 -8.593 -3.147 1.682 1.00 0.00 H new ATOM 1463 N LEU B 34 -7.073 -4.179 -0.092 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.558 -3.915 -1.486 1.00 0.00 C ATOM 1465 C LEU B 34 -5.381 -4.867 -1.779 1.00 0.00 C ATOM 1466 O LEU B 34 -5.278 -5.411 -2.863 1.00 0.00 O ATOM 1467 CB LEU B 34 -6.158 -2.421 -1.434 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.096 -2.019 -2.451 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.762 -1.583 -3.775 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.313 -0.839 -1.865 1.00 0.00 C ATOM 0 H LEU B 34 -6.920 -3.411 0.561 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.271 -4.096 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -7.048 -1.813 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.792 -2.190 -0.434 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.436 -2.862 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.993 -1.298 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.346 -2.410 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.418 -0.732 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.543 -0.527 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.993 -0.008 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.845 -1.142 -0.928 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.525 -5.101 -0.800 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.379 -6.053 -0.976 1.00 0.00 C ATOM 1484 C TRP B 35 -3.908 -7.495 -1.145 1.00 0.00 C ATOM 1485 O TRP B 35 -3.429 -8.239 -1.976 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.560 -5.962 0.312 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.344 -6.814 0.151 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -1.117 -7.981 0.789 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.209 -6.603 -0.724 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.088 -8.490 0.371 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.693 -7.671 -0.556 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.124 -5.593 -1.629 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 1.885 -7.729 -1.266 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.321 -5.651 -2.341 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.195 -6.711 -2.158 1.00 0.00 C ATOM 0 H TRP B 35 -4.577 -4.666 0.121 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.788 -5.805 -1.857 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.277 -4.928 0.510 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.151 -6.300 1.163 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.776 -8.440 1.511 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.486 -9.367 0.706 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.550 -4.762 -1.778 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.564 -8.557 -1.126 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.569 -4.865 -3.039 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.122 -6.745 -2.712 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.887 -7.879 -0.343 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.460 -9.260 -0.417 1.00 0.00 C ATOM 1508 C ASP B 36 -6.326 -9.422 -1.668 1.00 0.00 C ATOM 1509 O ASP B 36 -6.296 -10.456 -2.315 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.327 -9.416 0.842 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.580 -10.902 1.115 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.772 -11.500 1.808 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -7.577 -11.414 0.632 1.00 0.00 O ATOM 0 H ASP B 36 -5.313 -7.281 0.365 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.673 -10.013 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.829 -8.959 1.697 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.275 -8.894 0.709 1.00 0.00 H new ATOM 1518 N ASP B 37 -7.112 -8.412 -1.996 1.00 0.00 N ATOM 1519 CA ASP B 37 -8.002 -8.508 -3.182 1.00 0.00 C ATOM 1520 C ASP B 37 -7.839 -7.277 -4.096 1.00 0.00 C ATOM 1521 O ASP B 37 -8.743 -6.456 -4.196 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.438 -8.595 -2.617 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.546 -9.719 -1.573 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.520 -10.874 -1.966 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.650 -9.400 -0.401 1.00 0.00 O ATOM 0 H ASP B 37 -7.167 -7.531 -1.486 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.761 -9.376 -3.796 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.713 -7.643 -2.163 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -10.143 -8.777 -3.428 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.703 -7.197 -4.780 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.467 -6.077 -5.731 1.00 0.00 C ATOM 1532 C PRO B 38 -7.357 -6.205 -6.985 1.00 0.00 C ATOM 1533 O PRO B 38 -7.396 -5.299 -7.794 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.002 -6.190 -6.086 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.659 -7.624 -5.846 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.552 -8.111 -4.734 1.00 0.00 C ATOM 0 HA PRO B 38 -6.716 -5.109 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.824 -5.909 -7.124 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.394 -5.529 -5.468 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.812 -8.214 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.609 -7.729 -5.571 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.857 -9.146 -4.890 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.047 -8.070 -3.769 1.00 0.00 H new ATOM 1544 N SER B 39 -8.113 -7.291 -7.131 1.00 0.00 N ATOM 1545 CA SER B 39 -9.053 -7.408 -8.299 1.00 0.00 C ATOM 1546 C SER B 39 -10.063 -6.250 -8.188 1.00 0.00 C ATOM 1547 O SER B 39 -10.450 -5.648 -9.173 1.00 0.00 O ATOM 1548 CB SER B 39 -9.760 -8.760 -8.143 1.00 0.00 C ATOM 1549 OG SER B 39 -9.894 -9.370 -9.419 1.00 0.00 O ATOM 0 H SER B 39 -8.113 -8.088 -6.494 1.00 0.00 H new ATOM 0 HA SER B 39 -8.553 -7.355 -9.266 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.190 -9.407 -7.476 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.741 -8.620 -7.689 1.00 0.00 H new ATOM 0 HG SER B 39 -10.344 -10.235 -9.322 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.427 -5.913 -6.957 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.349 -4.766 -6.691 1.00 0.00 C ATOM 1557 C GLN B 40 -10.517 -3.501 -6.373 1.00 0.00 C ATOM 1558 O GLN B 40 -11.017 -2.605 -5.738 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.171 -5.127 -5.432 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.485 -6.625 -5.348 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.840 -6.841 -4.660 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.678 -7.560 -5.163 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -14.094 -6.247 -3.523 1.00 0.00 N ATOM 0 H GLN B 40 -10.112 -6.401 -6.118 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.988 -4.579 -7.554 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.619 -4.824 -4.542 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -13.104 -4.563 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.503 -7.058 -6.348 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.700 -7.139 -4.793 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.393 -5.642 -3.096 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.993 -6.389 -3.063 1.00 0.00 H new ATOM 1572 N SER B 41 -9.247 -3.431 -6.772 1.00 0.00 N ATOM 1573 CA SER B 41 -8.399 -2.228 -6.440 1.00 0.00 C ATOM 1574 C SER B 41 -9.018 -0.931 -6.987 1.00 0.00 C ATOM 1575 O SER B 41 -8.996 0.085 -6.318 1.00 0.00 O ATOM 1576 CB SER B 41 -7.031 -2.474 -7.063 1.00 0.00 C ATOM 1577 OG SER B 41 -7.132 -2.526 -8.481 1.00 0.00 O ATOM 0 H SER B 41 -8.771 -4.155 -7.310 1.00 0.00 H new ATOM 0 HA SER B 41 -8.326 -2.101 -5.360 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.343 -1.680 -6.770 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.617 -3.410 -6.687 1.00 0.00 H new ATOM 0 HG SER B 41 -7.125 -3.461 -8.775 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.602 -0.969 -8.178 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.267 0.258 -8.737 1.00 0.00 C ATOM 1585 C ALA B 42 -11.454 0.613 -7.826 1.00 0.00 C ATOM 1586 O ALA B 42 -11.618 1.752 -7.423 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.745 -0.124 -10.143 1.00 0.00 C ATOM 0 H ALA B 42 -9.643 -1.793 -8.777 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.603 1.121 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.239 0.731 -10.604 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.889 -0.419 -10.750 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.446 -0.956 -10.075 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.243 -0.388 -7.458 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.387 -0.173 -6.525 1.00 0.00 C ATOM 1595 C ASN B 43 -12.860 0.231 -5.132 1.00 0.00 C ATOM 1596 O ASN B 43 -13.481 1.021 -4.451 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.121 -1.521 -6.456 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.439 -1.354 -5.691 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.415 -0.879 -6.236 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.504 -1.719 -4.440 1.00 0.00 N ATOM 0 H ASN B 43 -12.131 -1.351 -7.775 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.049 0.624 -6.863 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.318 -1.891 -7.462 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.494 -2.263 -5.961 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.374 -1.605 -3.920 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.685 -2.118 -3.982 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.713 -0.301 -4.719 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.124 0.050 -3.384 1.00 0.00 C ATOM 1609 C LEU B 44 -10.719 1.512 -3.379 1.00 0.00 C ATOM 1610 O LEU B 44 -11.100 2.256 -2.510 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.891 -0.849 -3.228 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.226 -2.012 -2.302 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.556 -3.295 -2.817 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.724 -1.657 -0.894 1.00 0.00 C ATOM 0 H LEU B 44 -11.164 -0.967 -5.262 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.830 -0.100 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.575 -1.224 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -9.058 -0.275 -2.822 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.302 -2.186 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.798 -4.124 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.919 -3.517 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.475 -3.155 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.952 -2.474 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.646 -1.496 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.218 -0.748 -0.550 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.967 1.910 -4.369 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.530 3.340 -4.490 1.00 0.00 C ATOM 1628 C LEU B 45 -10.767 4.250 -4.479 1.00 0.00 C ATOM 1629 O LEU B 45 -10.822 5.222 -3.746 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.780 3.422 -5.834 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.486 4.882 -6.217 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.059 5.683 -4.985 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.360 4.914 -7.254 1.00 0.00 C ATOM 0 H LEU B 45 -9.629 1.299 -5.113 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.891 3.662 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.845 2.865 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.376 2.951 -6.616 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.391 5.327 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.855 6.714 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.859 5.665 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.159 5.241 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.148 5.947 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.464 4.459 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.666 4.358 -8.140 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.778 3.907 -5.246 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.042 4.711 -5.247 1.00 0.00 C ATOM 1647 C ALA B 46 -13.639 4.695 -3.830 1.00 0.00 C ATOM 1648 O ALA B 46 -14.048 5.715 -3.309 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.963 3.983 -6.220 1.00 0.00 C ATOM 0 H ALA B 46 -11.780 3.102 -5.873 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.891 5.751 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.916 4.508 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.501 3.955 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.131 2.965 -5.869 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.643 3.526 -3.205 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.154 3.380 -1.810 1.00 0.00 C ATOM 1657 C GLU B 47 -13.289 4.217 -0.844 1.00 0.00 C ATOM 1658 O GLU B 47 -13.791 4.752 0.116 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.022 1.879 -1.489 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.018 1.482 -0.384 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.470 1.504 -0.908 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.693 1.160 -2.064 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.339 1.872 -0.136 1.00 0.00 O ATOM 0 H GLU B 47 -13.305 2.658 -3.621 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.182 3.727 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.210 1.290 -2.387 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.004 1.656 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.777 0.485 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -14.922 2.166 0.459 1.00 0.00 H new ATOM 1670 N ALA B 48 -11.994 4.332 -1.115 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.064 5.141 -0.244 1.00 0.00 C ATOM 1672 C ALA B 48 -11.443 6.621 -0.334 1.00 0.00 C ATOM 1673 O ALA B 48 -11.555 7.297 0.673 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.652 4.909 -0.808 1.00 0.00 C ATOM 0 H ALA B 48 -11.541 3.891 -1.915 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.121 4.848 0.804 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.928 5.471 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.412 3.847 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.614 5.245 -1.844 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.671 7.113 -1.539 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.095 8.541 -1.721 1.00 0.00 C ATOM 1682 C LYS B 49 -13.460 8.732 -1.038 1.00 0.00 C ATOM 1683 O LYS B 49 -13.664 9.674 -0.300 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.195 8.768 -3.239 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.812 8.599 -3.886 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.878 8.990 -5.369 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.632 8.469 -6.113 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.465 9.247 -5.582 1.00 0.00 N ATOM 0 H LYS B 49 -11.580 6.581 -2.404 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.395 9.251 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.899 8.060 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.581 9.767 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.081 9.220 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.479 7.566 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.780 8.577 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.941 10.074 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.496 7.401 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.735 8.610 -7.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.626 9.057 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.684 10.263 -5.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.275 8.961 -4.600 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.375 7.796 -1.247 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.723 7.857 -0.578 1.00 0.00 C ATOM 1704 C LYS B 50 -15.554 7.735 0.949 1.00 0.00 C ATOM 1705 O LYS B 50 -16.270 8.366 1.703 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.514 6.666 -1.139 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.869 6.932 -2.611 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.272 5.621 -3.300 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.665 5.175 -2.818 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.450 3.871 -2.121 1.00 0.00 N ATOM 0 H LYS B 50 -14.240 6.990 -1.857 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.238 8.799 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -15.925 5.753 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.423 6.513 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.686 7.651 -2.672 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.016 7.375 -3.125 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.279 5.757 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.538 4.846 -3.081 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.101 5.912 -2.144 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.353 5.063 -3.656 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -19.360 3.512 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -18.042 3.185 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.798 4.008 -1.322 1.00 0.00 H new ATOM 1724 N LEU B 51 -14.585 6.946 1.401 1.00 0.00 N ATOM 1725 CA LEU B 51 -14.322 6.796 2.874 1.00 0.00 C ATOM 1726 C LEU B 51 -13.870 8.163 3.417 1.00 0.00 C ATOM 1727 O LEU B 51 -14.424 8.654 4.388 1.00 0.00 O ATOM 1728 CB LEU B 51 -13.201 5.731 2.980 1.00 0.00 C ATOM 1729 CG LEU B 51 -13.045 5.196 4.421 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -12.881 6.339 5.428 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -14.276 4.361 4.788 1.00 0.00 C ATOM 0 H LEU B 51 -13.966 6.400 0.802 1.00 0.00 H new ATOM 0 HA LEU B 51 -15.193 6.485 3.451 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -13.424 4.902 2.308 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -12.257 6.164 2.650 1.00 0.00 H new ATOM 0 HG LEU B 51 -12.147 4.580 4.461 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -12.774 5.927 6.432 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -11.993 6.920 5.177 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -13.759 6.984 5.392 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -14.169 3.982 5.804 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -15.169 4.982 4.725 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.367 3.524 4.096 1.00 0.00 H new ATOM 1743 N ASN B 52 -12.904 8.793 2.762 1.00 0.00 N ATOM 1744 CA ASN B 52 -12.451 10.157 3.193 1.00 0.00 C ATOM 1745 C ASN B 52 -13.669 11.106 3.177 1.00 0.00 C ATOM 1746 O ASN B 52 -13.835 11.924 4.060 1.00 0.00 O ATOM 1747 CB ASN B 52 -11.330 10.549 2.172 1.00 0.00 C ATOM 1748 CG ASN B 52 -11.755 11.605 1.111 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -12.379 12.603 1.404 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.391 11.447 -0.126 1.00 0.00 N ATOM 0 H ASN B 52 -12.416 8.415 1.950 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.051 10.204 4.206 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -10.473 10.934 2.725 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -10.998 9.649 1.655 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.631 12.153 -0.822 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.865 10.617 -0.401 1.00 0.00 H new ATOM 1757 N ASP B 53 -14.527 10.970 2.177 1.00 0.00 N ATOM 1758 CA ASP B 53 -15.746 11.831 2.071 1.00 0.00 C ATOM 1759 C ASP B 53 -16.709 11.586 3.249 1.00 0.00 C ATOM 1760 O ASP B 53 -17.402 12.495 3.677 1.00 0.00 O ATOM 1761 CB ASP B 53 -16.419 11.422 0.755 1.00 0.00 C ATOM 1762 CG ASP B 53 -17.452 12.477 0.348 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.062 13.454 -0.272 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -18.616 12.288 0.658 1.00 0.00 O ATOM 0 H ASP B 53 -14.424 10.288 1.426 1.00 0.00 H new ATOM 0 HA ASP B 53 -15.483 12.889 2.095 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.669 11.313 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -16.903 10.452 0.870 1.00 0.00 H new ATOM 1769 N ALA B 54 -16.758 10.367 3.765 1.00 0.00 N ATOM 1770 CA ALA B 54 -17.680 10.049 4.909 1.00 0.00 C ATOM 1771 C ALA B 54 -17.275 10.828 6.175 1.00 0.00 C ATOM 1772 O ALA B 54 -18.124 11.265 6.933 1.00 0.00 O ATOM 1773 CB ALA B 54 -17.529 8.540 5.119 1.00 0.00 C ATOM 0 H ALA B 54 -16.196 9.581 3.438 1.00 0.00 H new ATOM 0 HA ALA B 54 -18.711 10.333 4.700 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.171 8.221 5.940 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -17.817 8.015 4.208 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -16.491 8.308 5.358 1.00 0.00 H new ATOM 1779 N GLN B 55 -15.989 11.013 6.390 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.500 11.774 7.587 1.00 0.00 C ATOM 1781 C GLN B 55 -15.419 13.279 7.278 1.00 0.00 C ATOM 1782 O GLN B 55 -15.660 14.103 8.144 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.111 11.189 7.863 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.258 9.866 8.622 1.00 0.00 C ATOM 1785 CD GLN B 55 -12.939 9.102 8.564 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.408 8.700 9.577 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.381 8.894 7.408 1.00 0.00 N ATOM 0 H GLN B 55 -15.251 10.664 5.779 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.165 11.680 8.446 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.580 11.026 6.925 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.518 11.892 8.447 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.535 10.057 9.659 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.057 9.269 8.183 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -12.829 9.233 6.557 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.495 8.392 7.352 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.068 13.639 6.055 1.00 0.00 N ATOM 1797 CA ALA B 56 -14.950 15.085 5.673 1.00 0.00 C ATOM 1798 C ALA B 56 -15.298 15.287 4.185 1.00 0.00 C ATOM 1799 O ALA B 56 -15.099 14.395 3.393 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.479 15.402 5.906 1.00 0.00 C ATOM 0 H ALA B 56 -14.858 12.983 5.303 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.626 15.723 6.243 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.287 16.445 5.654 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.231 15.230 6.954 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -12.864 14.758 5.278 1.00 0.00 H new