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: B 23 ASN : amide:sc= -2.19 K(o=-4.9,f=-17!) USER MOD Set 1.2: B 26 GLN : amide:sc= -1.6! C(o=-4.9!,f=-7.9!) USER MOD Set 1.3: B 55 GLN : amide:sc= -1.15 X(o=-4.9,f=-5) USER MOD Set 2.1: B 21 ASN : amide:sc= -3.7! C(o=-9!,f=-10!) USER MOD Set 2.2: B 52 ASN : amide:sc= -5.25! C(o=-9!,f=-13!) USER MOD Set 3.1: A 11 ASN : amide:sc= 0 X(o=0.5,f=0.48) USER MOD Set 3.2: B 28 LYS NZ :NH3+ -155:sc= 0.498 (180deg=0.202) USER MOD Set 4.1: A 28 ASN : amide:sc= -5.86! C(o=-6.2!,f=-11!) USER MOD Set 4.2: B 10 SER OG : rot -170:sc= -0.362 USER MOD Set 5.1: A 40 GLN : amide:sc= 0.0978 X(o=0.2,f=0) USER MOD Set 5.2: A 43 ASN : amide:sc= 0.0985 X(o=0.2,f=0) USER MOD Set 6.1: A 23 ASN : amide:sc= 0.0899 K(o=-0.085,f=-5.4!) USER MOD Set 6.2: A 26 GLN : amide:sc= 0.208 K(o=-0.085,f=-11!) USER MOD Set 6.3: A 55 GLN : amide:sc= -0.383 K(o=-0.085,f=-1.3) USER MOD Set 7.1: A 14 TYR OH : rot 180:sc= -0.752 USER MOD Set 7.2: A 18 HIS : no HD1:sc= -24.3! C(o=-25!,f=-22!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.0484) USER MOD Single : A 9 GLN : amide:sc= -1.67! C(o=-1.7!,f=-2.8!) USER MOD Single : A 10 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 21 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.8) USER MOD Single : A 32 GLN : amide:sc= -0.362 K(o=-0.36,f=-3.2!) USER MOD Single : A 33 SER OG : rot 6:sc= -0.0801 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0.794 (180deg=0.674) USER MOD Single : A 39 SER OG : rot -49:sc= 0.685 USER MOD Single : A 41 SER OG : rot -95:sc= 0.846 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= -0.772! C(o=-0.77!,f=-11!) USER MOD Single : B 6 ASN : amide:sc= -3.05 K(o=-3,f=-7.4!) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -45:sc= 0.578 USER MOD Single : B 27 LYS NZ :NH3+ -161:sc= 0.581 (180deg=0.316) USER MOD Single : B 33 SER OG : rot -24:sc= -0.0757 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 -91:sc= 0.93 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 173:sc= 0.0547 (180deg=0.0375) USER MOD Single : B 50 LYS NZ :NH3+ -172:sc= 0.47 (180deg=0.442) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 3.920 -14.184 6.656 1.00 0.00 N ATOM 68 CA PHE A 5 4.217 -13.372 5.433 1.00 0.00 C ATOM 69 C PHE A 5 2.949 -12.763 4.816 1.00 0.00 C ATOM 70 O PHE A 5 3.027 -11.713 4.211 1.00 0.00 O ATOM 71 CB PHE A 5 4.908 -14.324 4.435 1.00 0.00 C ATOM 72 CG PHE A 5 6.257 -14.799 4.972 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.962 -14.053 5.939 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.801 -15.997 4.493 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.192 -14.510 6.415 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.034 -16.449 4.972 1.00 0.00 C ATOM 77 CZ PHE A 5 8.729 -15.706 5.934 1.00 0.00 C ATOM 0 HA PHE A 5 4.855 -12.527 5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.266 -15.184 4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.051 -13.815 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.550 -13.127 6.312 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.267 -16.573 3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.729 -13.938 7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.451 -17.373 4.599 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.681 -16.058 6.304 1.00 0.00 H new ATOM 87 N ASN A 6 1.788 -13.393 4.963 1.00 0.00 N ATOM 88 CA ASN A 6 0.526 -12.813 4.373 1.00 0.00 C ATOM 89 C ASN A 6 0.337 -11.359 4.851 1.00 0.00 C ATOM 90 O ASN A 6 0.299 -10.452 4.038 1.00 0.00 O ATOM 91 CB ASN A 6 -0.625 -13.708 4.861 1.00 0.00 C ATOM 92 CG ASN A 6 -1.950 -13.230 4.247 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.750 -12.610 4.918 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.215 -13.489 2.994 1.00 0.00 N ATOM 0 H ASN A 6 1.666 -14.274 5.462 1.00 0.00 H new ATOM 0 HA ASN A 6 0.563 -12.788 3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.436 -14.744 4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.686 -13.678 5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.092 -13.171 2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.545 -14.010 2.428 1.00 0.00 H new ATOM 101 N LYS A 7 0.265 -11.125 6.155 1.00 0.00 N ATOM 102 CA LYS A 7 0.126 -9.714 6.645 1.00 0.00 C ATOM 103 C LYS A 7 1.464 -8.966 6.570 1.00 0.00 C ATOM 104 O LYS A 7 1.454 -7.778 6.398 1.00 0.00 O ATOM 105 CB LYS A 7 -0.407 -9.751 8.071 1.00 0.00 C ATOM 106 CG LYS A 7 -0.354 -8.340 8.663 1.00 0.00 C ATOM 107 CD LYS A 7 -0.814 -8.395 10.101 1.00 0.00 C ATOM 108 CE LYS A 7 -0.543 -7.049 10.793 1.00 0.00 C ATOM 109 NZ LYS A 7 0.892 -7.089 11.218 1.00 0.00 N ATOM 0 H LYS A 7 0.296 -11.840 6.882 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.572 -9.171 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.431 -10.124 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.187 -10.435 8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.661 -7.945 8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.990 -7.666 8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.878 -8.626 10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.293 -9.195 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.726 -6.216 10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.201 -6.911 11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.945 -7.173 12.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.361 -7.907 10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.368 -6.215 10.917 1.00 0.00 H new ATOM 123 N GLU A 8 2.606 -9.632 6.670 1.00 0.00 N ATOM 124 CA GLU A 8 3.910 -8.879 6.541 1.00 0.00 C ATOM 125 C GLU A 8 3.922 -8.203 5.175 1.00 0.00 C ATOM 126 O GLU A 8 4.302 -7.062 5.061 1.00 0.00 O ATOM 127 CB GLU A 8 5.058 -9.885 6.631 1.00 0.00 C ATOM 128 CG GLU A 8 5.289 -10.318 8.082 1.00 0.00 C ATOM 129 CD GLU A 8 5.602 -9.101 8.967 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.596 -8.436 8.708 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.847 -8.860 9.892 1.00 0.00 O ATOM 0 H GLU A 8 2.690 -10.636 6.831 1.00 0.00 H new ATOM 0 HA GLU A 8 4.019 -8.133 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.832 -10.757 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.969 -9.441 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.404 -10.831 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.114 -11.029 8.128 1.00 0.00 H new ATOM 138 N GLN A 9 3.422 -8.890 4.159 1.00 0.00 N ATOM 139 CA GLN A 9 3.304 -8.271 2.812 1.00 0.00 C ATOM 140 C GLN A 9 2.270 -7.135 2.903 1.00 0.00 C ATOM 141 O GLN A 9 2.456 -6.086 2.349 1.00 0.00 O ATOM 142 CB GLN A 9 2.788 -9.355 1.863 1.00 0.00 C ATOM 143 CG GLN A 9 3.835 -10.435 1.602 1.00 0.00 C ATOM 144 CD GLN A 9 3.175 -11.571 0.816 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.550 -12.440 1.390 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.283 -11.603 -0.488 1.00 0.00 N ATOM 0 H GLN A 9 3.094 -9.854 4.219 1.00 0.00 H new ATOM 0 HA GLN A 9 4.256 -7.875 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.894 -9.812 2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.495 -8.899 0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.673 -10.022 1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.236 -10.809 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.807 -10.875 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.843 -12.356 -1.018 1.00 0.00 H new ATOM 155 N GLN A 10 1.197 -7.358 3.644 1.00 0.00 N ATOM 156 CA GLN A 10 0.130 -6.314 3.852 1.00 0.00 C ATOM 157 C GLN A 10 0.711 -5.100 4.589 1.00 0.00 C ATOM 158 O GLN A 10 0.503 -3.970 4.187 1.00 0.00 O ATOM 159 CB GLN A 10 -0.924 -7.016 4.718 1.00 0.00 C ATOM 160 CG GLN A 10 -2.299 -6.886 4.067 1.00 0.00 C ATOM 161 CD GLN A 10 -2.921 -8.266 3.767 1.00 0.00 C ATOM 162 OE1 GLN A 10 -4.118 -8.425 3.878 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.178 -9.282 3.406 1.00 0.00 N ATOM 0 H GLN A 10 1.015 -8.240 4.122 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.283 -5.943 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.667 -8.068 4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.941 -6.576 5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.961 -6.323 4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.211 -6.317 3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.169 -9.167 3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.608 -10.189 3.223 1.00 0.00 H new ATOM 172 N ASN A 11 1.449 -5.337 5.654 1.00 0.00 N ATOM 173 CA ASN A 11 2.080 -4.230 6.432 1.00 0.00 C ATOM 174 C ASN A 11 3.193 -3.596 5.604 1.00 0.00 C ATOM 175 O ASN A 11 3.275 -2.398 5.511 1.00 0.00 O ATOM 176 CB ASN A 11 2.661 -4.885 7.695 1.00 0.00 C ATOM 177 CG ASN A 11 2.979 -3.800 8.730 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.098 -3.330 9.423 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.207 -3.370 8.858 1.00 0.00 N ATOM 0 H ASN A 11 1.640 -6.270 6.018 1.00 0.00 H new ATOM 0 HA ASN A 11 1.366 -3.446 6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.949 -5.600 8.108 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.564 -5.442 7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.424 -2.642 9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.948 -3.763 8.278 1.00 0.00 H new ATOM 186 N ALA A 12 4.031 -4.405 4.979 1.00 0.00 N ATOM 187 CA ALA A 12 5.129 -3.856 4.121 1.00 0.00 C ATOM 188 C ALA A 12 4.510 -3.088 2.956 1.00 0.00 C ATOM 189 O ALA A 12 4.945 -2.007 2.641 1.00 0.00 O ATOM 190 CB ALA A 12 5.913 -5.058 3.601 1.00 0.00 C ATOM 0 H ALA A 12 3.996 -5.423 5.031 1.00 0.00 H new ATOM 0 HA ALA A 12 5.780 -3.178 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.729 -4.713 2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.319 -5.619 4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.251 -5.702 3.022 1.00 0.00 H new ATOM 196 N PHE A 13 3.462 -3.631 2.357 1.00 0.00 N ATOM 197 CA PHE A 13 2.752 -2.928 1.241 1.00 0.00 C ATOM 198 C PHE A 13 2.251 -1.592 1.770 1.00 0.00 C ATOM 199 O PHE A 13 2.590 -0.548 1.249 1.00 0.00 O ATOM 200 CB PHE A 13 1.558 -3.843 0.873 1.00 0.00 C ATOM 201 CG PHE A 13 0.589 -3.122 -0.027 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.044 -2.499 -1.184 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.777 -3.121 0.274 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.142 -1.876 -2.037 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.679 -2.491 -0.576 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.220 -1.873 -1.729 1.00 0.00 C ATOM 0 H PHE A 13 3.071 -4.541 2.602 1.00 0.00 H new ATOM 0 HA PHE A 13 3.387 -2.743 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.923 -4.742 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.048 -4.165 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.098 -2.500 -1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.132 -3.611 1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.494 -1.394 -2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.733 -2.483 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.920 -1.387 -2.393 1.00 0.00 H new ATOM 216 N TYR A 14 1.469 -1.645 2.829 1.00 0.00 N ATOM 217 CA TYR A 14 0.930 -0.412 3.457 1.00 0.00 C ATOM 218 C TYR A 14 2.065 0.564 3.796 1.00 0.00 C ATOM 219 O TYR A 14 2.033 1.701 3.399 1.00 0.00 O ATOM 220 CB TYR A 14 0.278 -0.894 4.735 1.00 0.00 C ATOM 221 CG TYR A 14 -0.401 0.263 5.401 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.669 0.650 4.986 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.227 0.929 6.454 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.308 1.679 5.609 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.417 1.991 7.083 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.695 2.371 6.663 1.00 0.00 C ATOM 227 OH TYR A 14 -2.356 3.416 7.287 1.00 0.00 O ATOM 0 H TYR A 14 1.183 -2.512 3.285 1.00 0.00 H new ATOM 0 HA TYR A 14 0.240 0.115 2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.445 -1.680 4.516 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.026 -1.325 5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.149 0.134 4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.210 0.622 6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.298 1.965 5.287 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.068 2.518 7.891 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.789 3.785 7.996 1.00 0.00 H new ATOM 237 N GLU A 15 3.075 0.105 4.510 1.00 0.00 N ATOM 238 CA GLU A 15 4.222 0.999 4.873 1.00 0.00 C ATOM 239 C GLU A 15 4.901 1.520 3.598 1.00 0.00 C ATOM 240 O GLU A 15 5.187 2.689 3.515 1.00 0.00 O ATOM 241 CB GLU A 15 5.174 0.148 5.718 1.00 0.00 C ATOM 242 CG GLU A 15 4.548 -0.171 7.094 1.00 0.00 C ATOM 243 CD GLU A 15 4.218 1.123 7.855 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.129 1.901 8.099 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.059 1.306 8.191 1.00 0.00 O ATOM 0 H GLU A 15 3.150 -0.852 4.855 1.00 0.00 H new ATOM 0 HA GLU A 15 3.900 1.876 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.403 -0.780 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.117 0.677 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.641 -0.760 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.238 -0.778 7.681 1.00 0.00 H new ATOM 252 N ILE A 16 5.099 0.684 2.584 1.00 0.00 N ATOM 253 CA ILE A 16 5.696 1.185 1.285 1.00 0.00 C ATOM 254 C ILE A 16 4.835 2.360 0.774 1.00 0.00 C ATOM 255 O ILE A 16 5.351 3.404 0.414 1.00 0.00 O ATOM 256 CB ILE A 16 5.688 -0.039 0.327 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.026 -0.772 0.496 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.516 0.379 -1.142 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.814 -2.275 0.428 1.00 0.00 C ATOM 0 H ILE A 16 4.875 -0.311 2.601 1.00 0.00 H new ATOM 0 HA ILE A 16 6.713 1.565 1.381 1.00 0.00 H new ATOM 0 HB ILE A 16 4.844 -0.681 0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.721 -0.460 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.478 -0.504 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.516 -0.508 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.571 0.910 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.338 1.033 -1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.771 -2.783 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.136 -2.583 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.383 -2.538 -0.538 1.00 0.00 H new ATOM 271 N LEU A 17 3.528 2.191 0.790 1.00 0.00 N ATOM 272 CA LEU A 17 2.593 3.300 0.356 1.00 0.00 C ATOM 273 C LEU A 17 2.593 4.466 1.377 1.00 0.00 C ATOM 274 O LEU A 17 2.476 5.615 1.000 1.00 0.00 O ATOM 275 CB LEU A 17 1.181 2.691 0.321 1.00 0.00 C ATOM 276 CG LEU A 17 1.090 1.553 -0.696 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.353 0.379 -0.102 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.284 1.966 -1.894 1.00 0.00 C ATOM 0 H LEU A 17 3.063 1.332 1.085 1.00 0.00 H new ATOM 0 HA LEU A 17 2.908 3.694 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.919 2.318 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.455 3.465 0.070 1.00 0.00 H new ATOM 0 HG LEU A 17 2.113 1.298 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.295 -0.424 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.884 0.025 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.654 0.686 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.235 1.139 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.724 2.235 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.756 2.825 -2.372 1.00 0.00 H new ATOM 290 N HIS A 18 2.676 4.167 2.662 1.00 0.00 N ATOM 291 CA HIS A 18 2.625 5.238 3.727 1.00 0.00 C ATOM 292 C HIS A 18 4.011 5.839 4.074 1.00 0.00 C ATOM 293 O HIS A 18 4.076 6.764 4.867 1.00 0.00 O ATOM 294 CB HIS A 18 2.005 4.547 4.964 1.00 0.00 C ATOM 295 CG HIS A 18 0.515 4.372 4.765 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.418 5.279 5.251 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.224 3.419 4.105 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.633 4.845 4.862 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.558 3.746 4.155 1.00 0.00 N ATOM 0 H HIS A 18 2.778 3.218 3.022 1.00 0.00 H new ATOM 0 HA HIS A 18 2.041 6.088 3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.476 3.577 5.123 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.194 5.143 5.857 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.183 2.544 3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.559 5.345 5.105 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.332 3.236 3.728 1.00 0.00 H new ATOM 307 N LEU A 19 5.112 5.355 3.502 1.00 0.00 N ATOM 308 CA LEU A 19 6.458 5.956 3.833 1.00 0.00 C ATOM 309 C LEU A 19 6.501 7.404 3.290 1.00 0.00 C ATOM 310 O LEU A 19 6.181 7.633 2.135 1.00 0.00 O ATOM 311 CB LEU A 19 7.526 5.079 3.148 1.00 0.00 C ATOM 312 CG LEU A 19 7.898 3.870 4.034 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.702 2.864 3.199 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.745 4.310 5.241 1.00 0.00 C ATOM 0 H LEU A 19 5.132 4.585 2.834 1.00 0.00 H new ATOM 0 HA LEU A 19 6.639 5.988 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.152 4.728 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.416 5.675 2.946 1.00 0.00 H new ATOM 0 HG LEU A 19 6.979 3.414 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.968 2.008 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.100 2.528 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.610 3.341 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.993 3.439 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.663 4.780 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.180 5.022 5.842 1.00 0.00 H new ATOM 326 N PRO A 20 6.858 8.344 4.157 1.00 0.00 N ATOM 327 CA PRO A 20 6.893 9.797 3.773 1.00 0.00 C ATOM 328 C PRO A 20 7.913 10.143 2.662 1.00 0.00 C ATOM 329 O PRO A 20 7.798 11.198 2.061 1.00 0.00 O ATOM 330 CB PRO A 20 7.249 10.501 5.085 1.00 0.00 C ATOM 331 CG PRO A 20 7.941 9.462 5.898 1.00 0.00 C ATOM 332 CD PRO A 20 7.267 8.162 5.563 1.00 0.00 C ATOM 0 HA PRO A 20 5.942 10.107 3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.895 11.361 4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.357 10.870 5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.004 9.424 5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.860 9.681 6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.945 7.316 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.410 7.975 6.210 1.00 0.00 H new ATOM 340 N ASN A 21 8.898 9.305 2.376 1.00 0.00 N ATOM 341 CA ASN A 21 9.889 9.652 1.302 1.00 0.00 C ATOM 342 C ASN A 21 9.883 8.618 0.158 1.00 0.00 C ATOM 343 O ASN A 21 10.749 8.656 -0.704 1.00 0.00 O ATOM 344 CB ASN A 21 11.250 9.705 2.008 1.00 0.00 C ATOM 345 CG ASN A 21 11.258 10.842 3.039 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.390 11.997 2.685 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.110 10.567 4.307 1.00 0.00 N ATOM 0 H ASN A 21 9.052 8.408 2.837 1.00 0.00 H new ATOM 0 HA ASN A 21 9.644 10.602 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.451 8.754 2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.043 9.860 1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.106 11.320 4.995 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.999 9.599 4.609 1.00 0.00 H new ATOM 354 N LEU A 22 8.900 7.724 0.103 1.00 0.00 N ATOM 355 CA LEU A 22 8.845 6.740 -1.026 1.00 0.00 C ATOM 356 C LEU A 22 8.043 7.342 -2.180 1.00 0.00 C ATOM 357 O LEU A 22 7.006 7.955 -1.982 1.00 0.00 O ATOM 358 CB LEU A 22 8.162 5.456 -0.502 1.00 0.00 C ATOM 359 CG LEU A 22 9.170 4.485 0.167 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.704 3.045 -0.046 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.566 4.615 -0.442 1.00 0.00 C ATOM 0 H LEU A 22 8.148 7.643 0.787 1.00 0.00 H new ATOM 0 HA LEU A 22 9.845 6.504 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.389 5.726 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.665 4.948 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 22 9.215 4.738 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.411 2.361 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.719 2.912 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.650 2.834 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.245 3.920 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.522 4.384 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.929 5.634 -0.306 1.00 0.00 H new ATOM 373 N ASN A 23 8.525 7.156 -3.381 1.00 0.00 N ATOM 374 CA ASN A 23 7.818 7.701 -4.591 1.00 0.00 C ATOM 375 C ASN A 23 7.206 6.562 -5.406 1.00 0.00 C ATOM 376 O ASN A 23 7.157 5.434 -4.962 1.00 0.00 O ATOM 377 CB ASN A 23 8.873 8.478 -5.413 1.00 0.00 C ATOM 378 CG ASN A 23 10.124 7.624 -5.668 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.125 6.777 -6.532 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.193 7.813 -4.940 1.00 0.00 N ATOM 0 H ASN A 23 9.385 6.646 -3.583 1.00 0.00 H new ATOM 0 HA ASN A 23 6.998 8.361 -4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.440 8.786 -6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.153 9.387 -4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.026 7.247 -5.101 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.194 8.527 -4.211 1.00 0.00 H new ATOM 387 N GLU A 24 6.731 6.857 -6.589 1.00 0.00 N ATOM 388 CA GLU A 24 6.101 5.795 -7.447 1.00 0.00 C ATOM 389 C GLU A 24 7.139 4.754 -7.885 1.00 0.00 C ATOM 390 O GLU A 24 6.866 3.580 -7.862 1.00 0.00 O ATOM 391 CB GLU A 24 5.517 6.528 -8.669 1.00 0.00 C ATOM 392 CG GLU A 24 4.176 7.189 -8.306 1.00 0.00 C ATOM 393 CD GLU A 24 4.407 8.541 -7.617 1.00 0.00 C ATOM 394 OE1 GLU A 24 4.882 9.452 -8.275 1.00 0.00 O ATOM 395 OE2 GLU A 24 4.098 8.643 -6.439 1.00 0.00 O ATOM 0 H GLU A 24 6.750 7.789 -7.003 1.00 0.00 H new ATOM 0 HA GLU A 24 5.330 5.253 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.220 7.284 -9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.373 5.824 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.579 7.332 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.607 6.532 -7.648 1.00 0.00 H new ATOM 402 N GLU A 25 8.333 5.160 -8.261 1.00 0.00 N ATOM 403 CA GLU A 25 9.364 4.145 -8.680 1.00 0.00 C ATOM 404 C GLU A 25 9.689 3.201 -7.508 1.00 0.00 C ATOM 405 O GLU A 25 9.731 1.994 -7.675 1.00 0.00 O ATOM 406 CB GLU A 25 10.605 4.955 -9.098 1.00 0.00 C ATOM 407 CG GLU A 25 11.695 4.011 -9.640 1.00 0.00 C ATOM 408 CD GLU A 25 11.212 3.322 -10.924 1.00 0.00 C ATOM 409 OE1 GLU A 25 11.137 3.988 -11.945 1.00 0.00 O ATOM 410 OE2 GLU A 25 10.919 2.138 -10.862 1.00 0.00 O ATOM 0 H GLU A 25 8.637 6.133 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 25 9.009 3.519 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.333 5.685 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.989 5.514 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.606 4.574 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.944 3.262 -8.888 1.00 0.00 H new ATOM 417 N GLN A 26 9.899 3.748 -6.329 1.00 0.00 N ATOM 418 CA GLN A 26 10.224 2.899 -5.132 1.00 0.00 C ATOM 419 C GLN A 26 8.979 2.178 -4.590 1.00 0.00 C ATOM 420 O GLN A 26 8.984 0.968 -4.464 1.00 0.00 O ATOM 421 CB GLN A 26 10.800 3.875 -4.092 1.00 0.00 C ATOM 422 CG GLN A 26 12.334 3.896 -4.195 1.00 0.00 C ATOM 423 CD GLN A 26 12.774 4.377 -5.587 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.705 5.548 -5.891 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.223 3.509 -6.456 1.00 0.00 N ATOM 0 H GLN A 26 9.859 4.750 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 26 10.930 2.108 -5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.401 4.876 -4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.497 3.573 -3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.747 4.553 -3.430 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.731 2.898 -4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.284 2.522 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.513 3.819 -7.384 1.00 0.00 H new ATOM 434 N ARG A 27 7.930 2.905 -4.263 1.00 0.00 N ATOM 435 CA ARG A 27 6.685 2.264 -3.701 1.00 0.00 C ATOM 436 C ARG A 27 6.043 1.246 -4.675 1.00 0.00 C ATOM 437 O ARG A 27 5.662 0.164 -4.269 1.00 0.00 O ATOM 438 CB ARG A 27 5.688 3.418 -3.487 1.00 0.00 C ATOM 439 CG ARG A 27 4.352 2.890 -2.952 1.00 0.00 C ATOM 440 CD ARG A 27 3.301 4.004 -2.996 1.00 0.00 C ATOM 441 NE ARG A 27 3.029 4.233 -4.452 1.00 0.00 N ATOM 442 CZ ARG A 27 3.092 5.441 -4.968 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.107 6.229 -4.698 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.135 5.857 -5.762 1.00 0.00 N ATOM 0 H ARG A 27 7.881 3.919 -4.361 1.00 0.00 H new ATOM 0 HA ARG A 27 6.935 1.719 -2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.106 4.140 -2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.526 3.944 -4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.021 2.040 -3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.474 2.533 -1.930 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.394 3.710 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.669 4.911 -2.517 1.00 0.00 H new ATOM 0 HE ARG A 27 2.792 3.442 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.854 5.906 -4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.148 7.164 -5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.348 5.245 -5.976 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.178 6.793 -6.165 1.00 0.00 H new ATOM 458 N ASN A 28 5.882 1.610 -5.938 1.00 0.00 N ATOM 459 CA ASN A 28 5.208 0.684 -6.923 1.00 0.00 C ATOM 460 C ASN A 28 6.082 -0.545 -7.186 1.00 0.00 C ATOM 461 O ASN A 28 5.581 -1.655 -7.219 1.00 0.00 O ATOM 462 CB ASN A 28 4.998 1.479 -8.225 1.00 0.00 C ATOM 463 CG ASN A 28 4.240 2.806 -7.988 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.772 3.086 -6.903 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.102 3.642 -8.981 1.00 0.00 N ATOM 0 H ASN A 28 6.187 2.503 -6.326 1.00 0.00 H new ATOM 0 HA ASN A 28 4.255 0.331 -6.528 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.966 1.692 -8.678 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.442 0.868 -8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.605 4.522 -8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.492 3.416 -9.896 1.00 0.00 H new ATOM 472 N ALA A 29 7.388 -0.358 -7.341 1.00 0.00 N ATOM 473 CA ALA A 29 8.297 -1.537 -7.562 1.00 0.00 C ATOM 474 C ALA A 29 8.234 -2.470 -6.357 1.00 0.00 C ATOM 475 O ALA A 29 8.261 -3.679 -6.495 1.00 0.00 O ATOM 476 CB ALA A 29 9.694 -0.963 -7.653 1.00 0.00 C ATOM 0 H ALA A 29 7.852 0.550 -7.323 1.00 0.00 H new ATOM 0 HA ALA A 29 8.014 -2.097 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.409 -1.770 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.745 -0.261 -8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.935 -0.444 -6.725 1.00 0.00 H new ATOM 482 N PHE A 30 8.132 -1.898 -5.171 1.00 0.00 N ATOM 483 CA PHE A 30 8.036 -2.718 -3.931 1.00 0.00 C ATOM 484 C PHE A 30 6.799 -3.568 -3.963 1.00 0.00 C ATOM 485 O PHE A 30 6.853 -4.725 -3.656 1.00 0.00 O ATOM 486 CB PHE A 30 7.952 -1.721 -2.785 1.00 0.00 C ATOM 487 CG PHE A 30 9.338 -1.266 -2.404 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.445 -2.108 -2.614 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.515 -0.024 -1.811 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.701 -1.708 -2.224 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.786 0.382 -1.431 1.00 0.00 C ATOM 492 CZ PHE A 30 11.878 -0.474 -1.635 1.00 0.00 C ATOM 0 H PHE A 30 8.112 -0.890 -5.019 1.00 0.00 H new ATOM 0 HA PHE A 30 8.889 -3.388 -3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.346 -0.864 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.461 -2.179 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.308 -3.071 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.667 0.624 -1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.548 -2.360 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.934 1.352 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.866 -0.164 -1.328 1.00 0.00 H new ATOM 502 N ILE A 31 5.704 -3.002 -4.368 1.00 0.00 N ATOM 503 CA ILE A 31 4.445 -3.784 -4.472 1.00 0.00 C ATOM 504 C ILE A 31 4.624 -4.902 -5.521 1.00 0.00 C ATOM 505 O ILE A 31 4.035 -5.953 -5.389 1.00 0.00 O ATOM 506 CB ILE A 31 3.388 -2.743 -4.838 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.246 -1.788 -3.648 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.059 -3.422 -5.105 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.581 -0.492 -4.079 1.00 0.00 C ATOM 0 H ILE A 31 5.625 -2.021 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 31 4.153 -4.303 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 31 3.685 -2.202 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.657 -2.262 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.228 -1.576 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.313 -2.671 -5.365 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.169 -4.125 -5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.738 -3.958 -4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.489 0.173 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.186 -0.011 -4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.590 -0.707 -4.479 1.00 0.00 H new ATOM 521 N GLN A 32 5.482 -4.710 -6.522 1.00 0.00 N ATOM 522 CA GLN A 32 5.734 -5.809 -7.518 1.00 0.00 C ATOM 523 C GLN A 32 6.593 -6.914 -6.857 1.00 0.00 C ATOM 524 O GLN A 32 6.264 -8.082 -6.931 1.00 0.00 O ATOM 525 CB GLN A 32 6.460 -5.154 -8.704 1.00 0.00 C ATOM 526 CG GLN A 32 5.490 -4.215 -9.437 1.00 0.00 C ATOM 527 CD GLN A 32 6.193 -3.553 -10.630 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.284 -3.035 -10.503 1.00 0.00 O ATOM 529 NE2 GLN A 32 5.603 -3.545 -11.797 1.00 0.00 N ATOM 0 H GLN A 32 6.006 -3.850 -6.682 1.00 0.00 H new ATOM 0 HA GLN A 32 4.813 -6.283 -7.858 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.327 -4.596 -8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.829 -5.919 -9.387 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.621 -4.775 -9.783 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.124 -3.451 -8.751 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.687 -3.979 -11.908 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.059 -3.105 -12.596 1.00 0.00 H new ATOM 538 N SER A 33 7.665 -6.536 -6.169 1.00 0.00 N ATOM 539 CA SER A 33 8.538 -7.539 -5.445 1.00 0.00 C ATOM 540 C SER A 33 7.811 -8.122 -4.208 1.00 0.00 C ATOM 541 O SER A 33 8.059 -9.242 -3.807 1.00 0.00 O ATOM 542 CB SER A 33 9.791 -6.756 -5.023 1.00 0.00 C ATOM 543 OG SER A 33 9.414 -5.570 -4.335 1.00 0.00 O ATOM 0 H SER A 33 7.972 -5.567 -6.079 1.00 0.00 H new ATOM 0 HA SER A 33 8.784 -8.389 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.418 -7.375 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.385 -6.504 -5.901 1.00 0.00 H new ATOM 0 HG SER A 33 8.444 -5.565 -4.199 1.00 0.00 H new ATOM 549 N LEU A 34 6.935 -7.347 -3.613 1.00 0.00 N ATOM 550 CA LEU A 34 6.171 -7.774 -2.392 1.00 0.00 C ATOM 551 C LEU A 34 4.975 -8.679 -2.756 1.00 0.00 C ATOM 552 O LEU A 34 4.759 -9.691 -2.113 1.00 0.00 O ATOM 553 CB LEU A 34 5.723 -6.430 -1.790 1.00 0.00 C ATOM 554 CG LEU A 34 4.996 -6.602 -0.460 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.980 -6.932 0.641 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.306 -5.291 -0.115 1.00 0.00 C ATOM 0 H LEU A 34 6.710 -6.405 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 34 6.759 -8.376 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.594 -5.792 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.068 -5.919 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 34 4.274 -7.414 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.445 -7.051 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.500 -7.859 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.705 -6.124 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.780 -5.395 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.050 -4.499 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.592 -5.038 -0.899 1.00 0.00 H new ATOM 568 N LYS A 35 4.196 -8.325 -3.773 1.00 0.00 N ATOM 569 CA LYS A 35 3.008 -9.174 -4.172 1.00 0.00 C ATOM 570 C LYS A 35 3.468 -10.549 -4.691 1.00 0.00 C ATOM 571 O LYS A 35 2.771 -11.536 -4.522 1.00 0.00 O ATOM 572 CB LYS A 35 2.239 -8.379 -5.259 1.00 0.00 C ATOM 573 CG LYS A 35 1.147 -7.526 -4.618 1.00 0.00 C ATOM 574 CD LYS A 35 -0.160 -7.682 -5.399 1.00 0.00 C ATOM 575 CE LYS A 35 -1.341 -7.694 -4.422 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.753 -9.127 -4.310 1.00 0.00 N ATOM 0 H LYS A 35 4.333 -7.488 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 35 2.360 -9.373 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.930 -7.742 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.797 -9.068 -5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.000 -7.827 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.451 -6.479 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.271 -6.863 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.143 -8.606 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.051 -7.292 -3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.161 -7.078 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.439 -9.231 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.190 -9.433 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.917 -9.714 -4.114 1.00 0.00 H new ATOM 590 N ASP A 36 4.637 -10.624 -5.308 1.00 0.00 N ATOM 591 CA ASP A 36 5.151 -11.940 -5.825 1.00 0.00 C ATOM 592 C ASP A 36 6.048 -12.662 -4.789 1.00 0.00 C ATOM 593 O ASP A 36 6.136 -13.879 -4.811 1.00 0.00 O ATOM 594 CB ASP A 36 5.948 -11.594 -7.092 1.00 0.00 C ATOM 595 CG ASP A 36 4.981 -11.213 -8.224 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.426 -12.114 -8.834 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.811 -10.030 -8.464 1.00 0.00 O ATOM 0 H ASP A 36 5.254 -9.828 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 36 4.330 -12.628 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.630 -10.768 -6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.558 -12.445 -7.393 1.00 0.00 H new ATOM 602 N ASP A 37 6.713 -11.942 -3.889 1.00 0.00 N ATOM 603 CA ASP A 37 7.599 -12.621 -2.876 1.00 0.00 C ATOM 604 C ASP A 37 7.133 -12.330 -1.429 1.00 0.00 C ATOM 605 O ASP A 37 7.392 -11.259 -0.899 1.00 0.00 O ATOM 606 CB ASP A 37 9.014 -12.060 -3.111 1.00 0.00 C ATOM 607 CG ASP A 37 10.059 -13.066 -2.609 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.077 -13.343 -1.416 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.828 -13.543 -3.425 1.00 0.00 O ATOM 0 H ASP A 37 6.677 -10.925 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 37 7.567 -13.704 -2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.166 -11.862 -4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.130 -11.110 -2.590 1.00 0.00 H new ATOM 614 N PRO A 38 6.461 -13.305 -0.832 1.00 0.00 N ATOM 615 CA PRO A 38 5.964 -13.164 0.572 1.00 0.00 C ATOM 616 C PRO A 38 7.111 -13.176 1.608 1.00 0.00 C ATOM 617 O PRO A 38 7.063 -12.449 2.583 1.00 0.00 O ATOM 618 CB PRO A 38 5.065 -14.390 0.750 1.00 0.00 C ATOM 619 CG PRO A 38 5.587 -15.392 -0.219 1.00 0.00 C ATOM 620 CD PRO A 38 6.088 -14.615 -1.399 1.00 0.00 C ATOM 0 HA PRO A 38 5.452 -12.215 0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.110 -14.768 1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.022 -14.148 0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.388 -15.983 0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.804 -16.089 -0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.942 -15.105 -1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.320 -14.514 -2.166 1.00 0.00 H new ATOM 628 N SER A 39 8.122 -14.006 1.414 1.00 0.00 N ATOM 629 CA SER A 39 9.265 -14.083 2.398 1.00 0.00 C ATOM 630 C SER A 39 10.084 -12.782 2.440 1.00 0.00 C ATOM 631 O SER A 39 10.542 -12.385 3.499 1.00 0.00 O ATOM 632 CB SER A 39 10.142 -15.251 1.926 1.00 0.00 C ATOM 633 OG SER A 39 9.388 -16.458 1.969 1.00 0.00 O ATOM 0 H SER A 39 8.204 -14.634 0.615 1.00 0.00 H new ATOM 0 HA SER A 39 8.888 -14.231 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.496 -15.067 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.024 -15.338 2.561 1.00 0.00 H new ATOM 0 HG SER A 39 8.947 -16.537 2.841 1.00 0.00 H new ATOM 639 N GLN A 40 10.269 -12.112 1.316 1.00 0.00 N ATOM 640 CA GLN A 40 11.057 -10.835 1.321 1.00 0.00 C ATOM 641 C GLN A 40 10.166 -9.623 1.647 1.00 0.00 C ATOM 642 O GLN A 40 10.634 -8.510 1.589 1.00 0.00 O ATOM 643 CB GLN A 40 11.633 -10.696 -0.102 1.00 0.00 C ATOM 644 CG GLN A 40 13.076 -10.186 -0.030 1.00 0.00 C ATOM 645 CD GLN A 40 14.018 -11.348 0.310 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.334 -12.156 -0.540 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.480 -11.471 1.527 1.00 0.00 N ATOM 0 H GLN A 40 9.909 -12.396 0.405 1.00 0.00 H new ATOM 0 HA GLN A 40 11.836 -10.863 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.603 -11.659 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.023 -10.007 -0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.362 -9.740 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.159 -9.405 0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.217 -10.794 2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.104 -12.244 1.760 1.00 0.00 H new ATOM 656 N SER A 41 8.892 -9.814 1.972 1.00 0.00 N ATOM 657 CA SER A 41 7.994 -8.641 2.263 1.00 0.00 C ATOM 658 C SER A 41 8.526 -7.773 3.412 1.00 0.00 C ATOM 659 O SER A 41 8.566 -6.564 3.281 1.00 0.00 O ATOM 660 CB SER A 41 6.624 -9.238 2.612 1.00 0.00 C ATOM 661 OG SER A 41 6.698 -9.971 3.833 1.00 0.00 O ATOM 0 H SER A 41 8.445 -10.728 2.046 1.00 0.00 H new ATOM 0 HA SER A 41 7.939 -7.977 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.885 -8.441 2.703 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.290 -9.893 1.807 1.00 0.00 H new ATOM 0 HG SER A 41 6.846 -10.920 3.637 1.00 0.00 H new ATOM 667 N ALA A 42 8.961 -8.356 4.521 1.00 0.00 N ATOM 668 CA ALA A 42 9.523 -7.499 5.624 1.00 0.00 C ATOM 669 C ALA A 42 10.765 -6.778 5.105 1.00 0.00 C ATOM 670 O ALA A 42 10.908 -5.587 5.279 1.00 0.00 O ATOM 671 CB ALA A 42 9.950 -8.435 6.722 1.00 0.00 C ATOM 0 H ALA A 42 8.951 -9.360 4.703 1.00 0.00 H new ATOM 0 HA ALA A 42 8.790 -6.771 5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.366 -7.860 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.088 -9.002 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.706 -9.122 6.341 1.00 0.00 H new ATOM 677 N ASN A 43 11.639 -7.512 4.424 1.00 0.00 N ATOM 678 CA ASN A 43 12.862 -6.895 3.815 1.00 0.00 C ATOM 679 C ASN A 43 12.437 -5.782 2.877 1.00 0.00 C ATOM 680 O ASN A 43 13.085 -4.776 2.800 1.00 0.00 O ATOM 681 CB ASN A 43 13.525 -7.983 2.982 1.00 0.00 C ATOM 682 CG ASN A 43 14.722 -8.571 3.734 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.698 -9.719 4.131 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.778 -7.830 3.952 1.00 0.00 N ATOM 0 H ASN A 43 11.547 -8.516 4.269 1.00 0.00 H new ATOM 0 HA ASN A 43 13.528 -6.499 4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.804 -8.770 2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.853 -7.571 2.028 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.578 -8.217 4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.802 -6.866 3.620 1.00 0.00 H new ATOM 691 N LEU A 44 11.337 -5.977 2.172 1.00 0.00 N ATOM 692 CA LEU A 44 10.825 -4.939 1.234 1.00 0.00 C ATOM 693 C LEU A 44 10.406 -3.722 1.993 1.00 0.00 C ATOM 694 O LEU A 44 10.724 -2.622 1.594 1.00 0.00 O ATOM 695 CB LEU A 44 9.656 -5.559 0.508 1.00 0.00 C ATOM 696 CG LEU A 44 10.231 -6.480 -0.538 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.104 -7.278 -1.157 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.969 -5.619 -1.568 1.00 0.00 C ATOM 0 H LEU A 44 10.773 -6.826 2.215 1.00 0.00 H new ATOM 0 HA LEU A 44 11.592 -4.623 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.019 -6.110 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.036 -4.790 0.047 1.00 0.00 H new ATOM 0 HG LEU A 44 10.940 -7.190 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.507 -7.949 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.605 -7.863 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.387 -6.598 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.396 -6.260 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.270 -4.919 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.767 -5.064 -1.074 1.00 0.00 H new ATOM 710 N LEU A 45 9.755 -3.896 3.115 1.00 0.00 N ATOM 711 CA LEU A 45 9.427 -2.694 3.912 1.00 0.00 C ATOM 712 C LEU A 45 10.740 -2.135 4.466 1.00 0.00 C ATOM 713 O LEU A 45 10.956 -0.961 4.420 1.00 0.00 O ATOM 714 CB LEU A 45 8.494 -3.128 5.015 1.00 0.00 C ATOM 715 CG LEU A 45 8.351 -1.994 6.029 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.049 -0.662 5.303 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.227 -2.350 6.988 1.00 0.00 C ATOM 0 H LEU A 45 9.448 -4.790 3.498 1.00 0.00 H new ATOM 0 HA LEU A 45 8.939 -1.916 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.519 -3.387 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.881 -4.022 5.504 1.00 0.00 H new ATOM 0 HG LEU A 45 9.281 -1.867 6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.949 0.138 6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.865 -0.427 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.120 -0.756 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.108 -1.552 7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.298 -2.472 6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.467 -3.281 7.501 1.00 0.00 H new ATOM 729 N ALA A 46 11.624 -2.984 4.956 1.00 0.00 N ATOM 730 CA ALA A 46 12.953 -2.490 5.468 1.00 0.00 C ATOM 731 C ALA A 46 13.690 -1.722 4.373 1.00 0.00 C ATOM 732 O ALA A 46 14.185 -0.653 4.624 1.00 0.00 O ATOM 733 CB ALA A 46 13.766 -3.733 5.778 1.00 0.00 C ATOM 0 H ALA A 46 11.484 -3.992 5.023 1.00 0.00 H new ATOM 0 HA ALA A 46 12.815 -1.838 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.746 -3.442 6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.249 -4.327 6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.888 -4.324 4.870 1.00 0.00 H new ATOM 739 N GLU A 47 13.746 -2.256 3.160 1.00 0.00 N ATOM 740 CA GLU A 47 14.429 -1.530 2.047 1.00 0.00 C ATOM 741 C GLU A 47 13.588 -0.306 1.679 1.00 0.00 C ATOM 742 O GLU A 47 14.136 0.738 1.401 1.00 0.00 O ATOM 743 CB GLU A 47 14.644 -2.508 0.875 1.00 0.00 C ATOM 744 CG GLU A 47 13.361 -3.096 0.349 1.00 0.00 C ATOM 745 CD GLU A 47 13.708 -4.285 -0.558 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.815 -5.388 -0.041 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.881 -4.076 -1.745 1.00 0.00 O ATOM 0 H GLU A 47 13.347 -3.159 2.905 1.00 0.00 H new ATOM 0 HA GLU A 47 15.414 -1.166 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.156 -1.988 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.300 -3.316 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.727 -3.421 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.800 -2.345 -0.208 1.00 0.00 H new ATOM 754 N ALA A 48 12.262 -0.396 1.740 1.00 0.00 N ATOM 755 CA ALA A 48 11.426 0.804 1.486 1.00 0.00 C ATOM 756 C ALA A 48 11.652 1.841 2.596 1.00 0.00 C ATOM 757 O ALA A 48 11.705 3.026 2.335 1.00 0.00 O ATOM 758 CB ALA A 48 10.009 0.276 1.535 1.00 0.00 C ATOM 0 H ALA A 48 11.745 -1.249 1.954 1.00 0.00 H new ATOM 0 HA ALA A 48 11.657 1.296 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.310 1.093 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.878 -0.487 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.817 -0.159 2.516 1.00 0.00 H new ATOM 764 N LYS A 49 11.833 1.386 3.826 1.00 0.00 N ATOM 765 CA LYS A 49 12.115 2.305 4.969 1.00 0.00 C ATOM 766 C LYS A 49 13.561 2.797 4.831 1.00 0.00 C ATOM 767 O LYS A 49 13.870 3.948 5.067 1.00 0.00 O ATOM 768 CB LYS A 49 11.899 1.446 6.214 1.00 0.00 C ATOM 769 CG LYS A 49 10.495 1.741 6.738 1.00 0.00 C ATOM 770 CD LYS A 49 9.915 0.487 7.364 1.00 0.00 C ATOM 771 CE LYS A 49 10.431 0.364 8.787 1.00 0.00 C ATOM 772 NZ LYS A 49 9.709 -0.802 9.380 1.00 0.00 N ATOM 0 H LYS A 49 11.794 0.399 4.079 1.00 0.00 H new ATOM 0 HA LYS A 49 11.481 3.191 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.004 0.388 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.647 1.675 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.531 2.544 7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.856 2.083 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.826 0.533 7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.199 -0.390 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.509 0.205 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.237 1.274 9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.021 -0.940 10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.685 -0.621 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.918 -1.658 8.827 1.00 0.00 H new ATOM 786 N LYS A 50 14.413 1.915 4.356 1.00 0.00 N ATOM 787 CA LYS A 50 15.839 2.251 4.062 1.00 0.00 C ATOM 788 C LYS A 50 15.837 3.340 2.971 1.00 0.00 C ATOM 789 O LYS A 50 16.596 4.288 3.027 1.00 0.00 O ATOM 790 CB LYS A 50 16.412 0.904 3.561 1.00 0.00 C ATOM 791 CG LYS A 50 17.633 1.067 2.647 1.00 0.00 C ATOM 792 CD LYS A 50 17.661 -0.112 1.656 1.00 0.00 C ATOM 793 CE LYS A 50 18.107 -1.392 2.380 1.00 0.00 C ATOM 794 NZ LYS A 50 18.293 -2.413 1.304 1.00 0.00 N ATOM 0 H LYS A 50 14.166 0.946 4.155 1.00 0.00 H new ATOM 0 HA LYS A 50 16.424 2.640 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.689 0.293 4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.633 0.363 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.580 2.013 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.549 1.087 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.672 -0.256 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.343 0.108 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.033 -1.229 2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.358 -1.715 3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.598 -3.312 1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.394 -2.554 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.017 -2.083 0.634 1.00 0.00 H new ATOM 808 N LEU A 51 14.929 3.212 2.011 1.00 0.00 N ATOM 809 CA LEU A 51 14.788 4.236 0.930 1.00 0.00 C ATOM 810 C LEU A 51 14.151 5.499 1.510 1.00 0.00 C ATOM 811 O LEU A 51 14.512 6.596 1.154 1.00 0.00 O ATOM 812 CB LEU A 51 13.845 3.601 -0.107 1.00 0.00 C ATOM 813 CG LEU A 51 14.618 2.983 -1.284 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.983 2.447 -0.845 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.809 1.826 -1.847 1.00 0.00 C ATOM 0 H LEU A 51 14.279 2.429 1.940 1.00 0.00 H new ATOM 0 HA LEU A 51 15.746 4.514 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.241 2.832 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.156 4.358 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 51 14.775 3.761 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.499 2.018 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.579 3.262 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.845 1.679 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.347 1.379 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.657 1.076 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.842 2.192 -2.192 1.00 0.00 H new ATOM 827 N ASN A 52 13.210 5.328 2.412 1.00 0.00 N ATOM 828 CA ASN A 52 12.526 6.486 3.062 1.00 0.00 C ATOM 829 C ASN A 52 13.555 7.401 3.747 1.00 0.00 C ATOM 830 O ASN A 52 13.467 8.605 3.656 1.00 0.00 O ATOM 831 CB ASN A 52 11.589 5.855 4.101 1.00 0.00 C ATOM 832 CG ASN A 52 10.720 6.930 4.744 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.789 7.408 4.139 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.992 7.334 5.953 1.00 0.00 N ATOM 0 H ASN A 52 12.884 4.415 2.728 1.00 0.00 H new ATOM 0 HA ASN A 52 11.986 7.104 2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.959 5.104 3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.173 5.343 4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.419 8.055 6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.778 6.929 6.461 1.00 0.00 H new ATOM 841 N ASP A 53 14.532 6.823 4.419 1.00 0.00 N ATOM 842 CA ASP A 53 15.586 7.652 5.110 1.00 0.00 C ATOM 843 C ASP A 53 16.689 8.077 4.121 1.00 0.00 C ATOM 844 O ASP A 53 17.166 9.198 4.178 1.00 0.00 O ATOM 845 CB ASP A 53 16.172 6.754 6.210 1.00 0.00 C ATOM 846 CG ASP A 53 15.075 6.313 7.201 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.327 7.163 7.664 1.00 0.00 O ATOM 848 OD2 ASP A 53 15.010 5.128 7.482 1.00 0.00 O ATOM 0 H ASP A 53 14.646 5.814 4.519 1.00 0.00 H new ATOM 0 HA ASP A 53 15.161 8.568 5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.636 5.876 5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.956 7.291 6.744 1.00 0.00 H new ATOM 853 N ALA A 54 17.092 7.195 3.219 1.00 0.00 N ATOM 854 CA ALA A 54 18.165 7.547 2.219 1.00 0.00 C ATOM 855 C ALA A 54 17.647 8.626 1.254 1.00 0.00 C ATOM 856 O ALA A 54 18.281 9.651 1.066 1.00 0.00 O ATOM 857 CB ALA A 54 18.466 6.246 1.468 1.00 0.00 C ATOM 0 H ALA A 54 16.723 6.248 3.135 1.00 0.00 H new ATOM 0 HA ALA A 54 19.059 7.947 2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.240 6.427 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.812 5.490 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.561 5.894 0.973 1.00 0.00 H new ATOM 863 N GLN A 55 16.480 8.407 0.675 1.00 0.00 N ATOM 864 CA GLN A 55 15.867 9.422 -0.254 1.00 0.00 C ATOM 865 C GLN A 55 15.434 10.677 0.534 1.00 0.00 C ATOM 866 O GLN A 55 15.350 11.757 -0.025 1.00 0.00 O ATOM 867 CB GLN A 55 14.647 8.747 -0.891 1.00 0.00 C ATOM 868 CG GLN A 55 15.092 7.549 -1.747 1.00 0.00 C ATOM 869 CD GLN A 55 13.879 6.967 -2.475 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.879 6.859 -3.683 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.838 6.591 -1.787 1.00 0.00 N ATOM 0 H GLN A 55 15.924 7.562 0.808 1.00 0.00 H new ATOM 0 HA GLN A 55 16.581 9.743 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.959 8.413 -0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.106 9.464 -1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.847 7.863 -2.468 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.551 6.788 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.838 6.682 -0.771 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.023 6.206 -2.264 1.00 0.00 H new ATOM 880 N ALA A 56 15.150 10.533 1.829 1.00 0.00 N ATOM 881 CA ALA A 56 14.714 11.705 2.671 1.00 0.00 C ATOM 882 C ALA A 56 15.742 12.839 2.651 1.00 0.00 C ATOM 883 O ALA A 56 16.926 12.606 2.462 1.00 0.00 O ATOM 884 CB ALA A 56 14.592 11.189 4.107 1.00 0.00 C ATOM 0 H ALA A 56 15.205 9.647 2.331 1.00 0.00 H new ATOM 0 HA ALA A 56 13.777 12.102 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.277 12.003 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.854 10.388 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.558 10.809 4.440 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.202 -5.429 -9.092 1.00 0.00 N ATOM 1015 CA ASN B 6 0.802 -4.642 -8.282 1.00 0.00 C ATOM 1016 C ASN B 6 0.789 -3.179 -8.747 1.00 0.00 C ATOM 1017 O ASN B 6 0.851 -2.259 -7.950 1.00 0.00 O ATOM 1018 CB ASN B 6 2.194 -5.262 -8.545 1.00 0.00 C ATOM 1019 CG ASN B 6 2.193 -6.801 -8.405 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.293 -7.381 -7.839 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.170 -7.494 -8.924 1.00 0.00 N ATOM 0 HA ASN B 6 0.563 -4.675 -7.219 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.525 -4.992 -9.548 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.915 -4.837 -7.846 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.169 -8.511 -8.850 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.934 -7.018 -9.403 1.00 0.00 H new ATOM 1028 N LYS B 7 0.664 -2.980 -10.045 1.00 0.00 N ATOM 1029 CA LYS B 7 0.588 -1.596 -10.631 1.00 0.00 C ATOM 1030 C LYS B 7 -0.643 -0.869 -10.097 1.00 0.00 C ATOM 1031 O LYS B 7 -0.619 0.331 -9.888 1.00 0.00 O ATOM 1032 CB LYS B 7 0.464 -1.787 -12.149 1.00 0.00 C ATOM 1033 CG LYS B 7 1.764 -2.373 -12.722 1.00 0.00 C ATOM 1034 CD LYS B 7 1.545 -2.795 -14.180 1.00 0.00 C ATOM 1035 CE LYS B 7 1.594 -1.566 -15.101 1.00 0.00 C ATOM 1036 NZ LYS B 7 0.996 -2.014 -16.395 1.00 0.00 N ATOM 0 H LYS B 7 0.611 -3.731 -10.733 1.00 0.00 H new ATOM 0 HA LYS B 7 1.464 -1.002 -10.370 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -0.371 -2.451 -12.372 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.247 -0.831 -12.626 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.563 -1.634 -12.664 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.079 -3.231 -12.129 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.310 -3.512 -14.477 1.00 0.00 H new ATOM 0 HD3 LYS B 7 0.582 -3.296 -14.281 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.032 -0.734 -14.676 1.00 0.00 H new ATOM 0 HE3 LYS B 7 2.618 -1.221 -15.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 0.998 -1.223 -17.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.555 -2.801 -16.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.018 -2.330 -16.235 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.711 -1.593 -9.862 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.936 -0.952 -9.314 1.00 0.00 C ATOM 1052 C GLU B 8 -2.741 -0.585 -7.856 1.00 0.00 C ATOM 1053 O GLU B 8 -3.230 0.421 -7.428 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.094 -1.932 -9.480 1.00 0.00 C ATOM 1055 CG GLU B 8 -5.089 -1.334 -10.471 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.752 -0.072 -9.879 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.764 -0.212 -9.214 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.235 1.012 -10.105 1.00 0.00 O ATOM 0 H GLU B 8 -1.782 -2.597 -10.027 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.151 -0.029 -9.852 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.729 -2.893 -9.842 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.577 -2.115 -8.520 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.578 -1.081 -11.400 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.853 -2.071 -10.718 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.989 -1.354 -7.103 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.746 -0.968 -5.670 1.00 0.00 C ATOM 1067 C LEU B 9 -0.900 0.309 -5.630 1.00 0.00 C ATOM 1068 O LEU B 9 -0.948 1.056 -4.674 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.994 -2.087 -4.951 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.576 -3.478 -5.240 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.584 -4.539 -4.729 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.926 -3.607 -4.503 1.00 0.00 C ATOM 0 H LEU B 9 -1.539 -2.217 -7.409 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.703 -0.799 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.053 -2.067 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.020 -1.904 -3.877 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.735 -3.621 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.982 -5.534 -4.926 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.371 -4.422 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.437 -4.413 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.354 -4.590 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.769 -3.485 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.610 -2.837 -4.859 1.00 0.00 H new ATOM 1084 N SER B 10 -0.150 0.577 -6.680 1.00 0.00 N ATOM 1085 CA SER B 10 0.659 1.825 -6.736 1.00 0.00 C ATOM 1086 C SER B 10 -0.319 3.024 -6.741 1.00 0.00 C ATOM 1087 O SER B 10 -0.223 3.929 -5.930 1.00 0.00 O ATOM 1088 CB SER B 10 1.440 1.698 -8.061 1.00 0.00 C ATOM 1089 OG SER B 10 1.391 2.919 -8.799 1.00 0.00 O ATOM 0 H SER B 10 -0.069 -0.024 -7.500 1.00 0.00 H new ATOM 0 HA SER B 10 1.340 1.973 -5.898 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.477 1.435 -7.853 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.020 0.889 -8.659 1.00 0.00 H new ATOM 0 HG SER B 10 1.753 2.773 -9.698 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.274 2.991 -7.657 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.301 4.087 -7.786 1.00 0.00 C ATOM 1097 C VAL B 11 -3.432 3.892 -6.756 1.00 0.00 C ATOM 1098 O VAL B 11 -3.697 4.762 -5.947 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.844 3.955 -9.232 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.705 5.170 -9.581 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.681 3.851 -10.236 1.00 0.00 C ATOM 0 H VAL B 11 -1.384 2.234 -8.332 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.878 5.074 -7.598 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.449 3.050 -9.291 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.082 5.068 -10.599 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.544 5.233 -8.888 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.104 6.076 -9.506 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.080 3.759 -11.246 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.062 4.746 -10.170 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.077 2.974 -10.003 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.083 2.742 -6.789 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.200 2.428 -5.830 1.00 0.00 C ATOM 1113 C ALA B 12 -4.711 2.447 -4.383 1.00 0.00 C ATOM 1114 O ALA B 12 -5.365 2.977 -3.516 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.681 1.005 -6.202 1.00 0.00 C ATOM 0 H ALA B 12 -3.881 1.996 -7.454 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.996 3.168 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.496 0.712 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.030 0.997 -7.234 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.855 0.302 -6.093 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.567 1.874 -4.137 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.006 1.814 -2.760 1.00 0.00 C ATOM 1123 C GLY B 13 -2.630 3.189 -2.245 1.00 0.00 C ATOM 1124 O GLY B 13 -3.117 3.609 -1.213 1.00 0.00 O ATOM 0 H GLY B 13 -2.984 1.435 -4.850 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.737 1.362 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.126 1.170 -2.754 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.731 3.869 -2.923 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.276 5.210 -2.422 1.00 0.00 C ATOM 1130 C ARG B 14 -2.439 6.218 -2.285 1.00 0.00 C ATOM 1131 O ARG B 14 -2.473 6.983 -1.339 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.216 5.717 -3.408 1.00 0.00 C ATOM 1133 CG ARG B 14 1.003 6.225 -2.634 1.00 0.00 C ATOM 1134 CD ARG B 14 0.605 7.324 -1.650 1.00 0.00 C ATOM 1135 NE ARG B 14 1.824 7.528 -0.825 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.378 8.709 -0.738 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.433 8.988 -1.467 1.00 0.00 N ATOM 1138 NH2 ARG B 14 1.880 9.607 0.079 1.00 0.00 N ATOM 0 H ARG B 14 -1.297 3.558 -3.792 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.864 5.108 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.079 4.915 -4.085 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.629 6.517 -4.022 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.466 5.399 -2.095 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.748 6.608 -3.331 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.317 8.238 -2.168 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.245 7.023 -1.038 1.00 0.00 H new ATOM 0 HE ARG B 14 2.232 6.740 -0.322 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.817 8.285 -2.098 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.869 9.908 -1.403 1.00 0.00 H new ATOM 0 HH21 ARG B 14 1.062 9.383 0.645 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.311 10.529 0.148 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.401 6.222 -3.196 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.560 7.180 -3.049 1.00 0.00 C ATOM 1154 C GLU B 15 -5.375 6.803 -1.796 1.00 0.00 C ATOM 1155 O GLU B 15 -5.746 7.661 -1.021 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.395 7.049 -4.322 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.669 7.737 -5.485 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.566 7.749 -6.727 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.500 8.537 -6.758 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.299 6.977 -7.628 1.00 0.00 O ATOM 0 H GLU B 15 -3.434 5.617 -4.017 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.231 8.211 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.560 5.997 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.376 7.501 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.404 8.757 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.738 7.215 -5.704 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.582 5.514 -1.568 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.295 5.038 -0.328 1.00 0.00 C ATOM 1169 C ILE B 16 -5.422 5.367 0.919 1.00 0.00 C ATOM 1170 O ILE B 16 -5.933 5.568 2.002 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.487 3.513 -0.528 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.508 3.278 -1.652 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.010 2.857 0.754 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.480 1.819 -2.119 1.00 0.00 C ATOM 0 H ILE B 16 -5.283 4.768 -2.196 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.259 5.522 -0.168 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.523 3.073 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.508 3.532 -1.300 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.289 3.937 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.137 1.787 0.590 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.296 3.018 1.562 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.969 3.299 1.024 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.211 1.678 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.485 1.576 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.723 1.164 -1.282 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.109 5.447 0.742 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.165 5.793 1.866 1.00 0.00 C ATOM 1188 C VAL B 17 -3.292 7.277 2.260 1.00 0.00 C ATOM 1189 O VAL B 17 -3.143 7.614 3.422 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.737 5.515 1.314 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.653 6.223 2.140 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.455 4.025 1.337 1.00 0.00 C ATOM 0 H VAL B 17 -3.649 5.283 -0.153 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.386 5.207 2.758 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.708 5.900 0.295 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.328 6.001 1.719 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.823 7.299 2.117 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.693 5.871 3.171 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.454 3.838 0.949 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.522 3.658 2.361 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.187 3.507 0.717 1.00 0.00 H new ATOM 1202 N THR B 18 -3.498 8.172 1.303 1.00 0.00 N ATOM 1203 CA THR B 18 -3.548 9.627 1.655 1.00 0.00 C ATOM 1204 C THR B 18 -4.685 10.414 0.954 1.00 0.00 C ATOM 1205 O THR B 18 -4.502 11.579 0.633 1.00 0.00 O ATOM 1206 CB THR B 18 -2.143 10.154 1.263 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.981 11.487 1.729 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.941 10.117 -0.262 1.00 0.00 C ATOM 0 H THR B 18 -3.630 7.955 0.315 1.00 0.00 H new ATOM 0 HA THR B 18 -3.779 9.766 2.711 1.00 0.00 H new ATOM 0 HB THR B 18 -1.398 9.507 1.726 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.786 12.006 1.522 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.947 10.492 -0.507 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.039 9.091 -0.617 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.693 10.741 -0.744 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.871 9.836 0.750 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.986 10.654 0.123 1.00 0.00 C ATOM 1218 C LEU B 19 -7.315 11.871 1.047 1.00 0.00 C ATOM 1219 O LEU B 19 -6.843 11.932 2.172 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.181 9.711 -0.098 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.498 8.894 1.147 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.978 9.029 1.438 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.144 7.422 0.893 1.00 0.00 C ATOM 0 H LEU B 19 -6.106 8.871 0.982 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.702 11.073 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -9.057 10.295 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.964 9.038 -0.928 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.919 9.252 1.998 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.228 8.451 2.327 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.221 10.078 1.607 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.551 8.656 0.589 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.370 6.835 1.783 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.728 7.047 0.053 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.082 7.338 0.663 1.00 0.00 H new ATOM 1235 N PRO B 20 -8.031 12.848 0.513 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.303 14.131 1.257 1.00 0.00 C ATOM 1237 C PRO B 20 -8.994 14.017 2.637 1.00 0.00 C ATOM 1238 O PRO B 20 -8.773 14.884 3.466 1.00 0.00 O ATOM 1239 CB PRO B 20 -9.158 14.935 0.271 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.755 13.909 -0.626 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.686 12.869 -0.807 1.00 0.00 C ATOM 0 HA PRO B 20 -7.356 14.591 1.539 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.928 15.507 0.788 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.553 15.648 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.654 13.477 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -10.046 14.344 -1.582 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -9.106 11.897 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.989 13.138 -1.601 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.831 13.030 2.908 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.518 13.002 4.265 1.00 0.00 C ATOM 1251 C ASN B 21 -10.498 11.635 4.975 1.00 0.00 C ATOM 1252 O ASN B 21 -11.365 11.374 5.794 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.968 13.379 3.969 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.090 14.841 3.531 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.395 15.709 4.021 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.974 15.154 2.636 1.00 0.00 N ATOM 0 H ASN B 21 -10.066 12.265 2.276 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.993 13.676 4.942 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.361 12.730 3.187 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.577 13.212 4.858 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.084 16.126 2.346 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.560 14.429 2.222 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.550 10.767 4.707 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.557 9.445 5.420 1.00 0.00 C ATOM 1265 C LEU B 22 -8.671 9.476 6.660 1.00 0.00 C ATOM 1266 O LEU B 22 -7.694 10.204 6.736 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.997 8.414 4.458 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.605 7.037 4.742 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.923 6.872 3.979 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.616 5.962 4.297 1.00 0.00 C ATOM 0 H LEU B 22 -8.789 10.909 4.043 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.574 9.210 5.734 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.213 8.710 3.431 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.912 8.367 4.555 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.807 6.942 5.809 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.345 5.889 4.190 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.625 7.643 4.295 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.738 6.966 2.909 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.037 4.976 4.494 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.421 6.067 3.230 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.683 6.075 4.849 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.998 8.637 7.605 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.170 8.529 8.860 1.00 0.00 C ATOM 1284 C ASN B 23 -7.220 7.309 8.754 1.00 0.00 C ATOM 1285 O ASN B 23 -7.415 6.439 7.921 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.159 8.421 10.049 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.063 7.176 9.968 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.742 6.208 9.318 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.191 7.162 10.624 1.00 0.00 N ATOM 0 H ASN B 23 -9.806 8.015 7.570 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.533 9.401 9.009 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.596 8.394 10.982 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.782 9.315 10.078 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.793 6.340 10.586 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.471 7.974 11.175 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.172 7.273 9.560 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.163 6.150 9.481 1.00 0.00 C ATOM 1298 C ASP B 24 -5.747 4.707 9.614 1.00 0.00 C ATOM 1299 O ASP B 24 -5.242 3.830 8.937 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.077 6.442 10.548 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.634 6.381 11.977 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.157 7.386 12.432 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.511 5.334 12.594 1.00 0.00 O ATOM 0 H ASP B 24 -5.972 7.976 10.272 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.747 6.141 8.473 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.266 5.721 10.445 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.650 7.429 10.368 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.762 4.465 10.454 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.303 3.073 10.576 1.00 0.00 C ATOM 1310 C PRO B 25 -8.065 2.626 9.305 1.00 0.00 C ATOM 1311 O PRO B 25 -7.960 1.474 8.913 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.243 3.149 11.780 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.645 4.583 11.865 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.488 5.392 11.349 1.00 0.00 C ATOM 0 HA PRO B 25 -6.508 2.338 10.699 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.111 2.503 11.645 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.743 2.824 12.692 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.541 4.769 11.272 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.880 4.858 12.893 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.830 6.277 10.812 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.851 5.739 12.163 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.827 3.508 8.658 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.577 3.092 7.420 1.00 0.00 C ATOM 1324 C GLN B 26 -8.600 2.718 6.305 1.00 0.00 C ATOM 1325 O GLN B 26 -8.692 1.638 5.767 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.436 4.295 7.016 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.594 4.439 8.011 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.337 5.767 7.800 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -11.952 6.591 6.992 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.387 6.015 8.524 1.00 0.00 N ATOM 0 H GLN B 26 -8.955 4.481 8.936 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.197 2.214 7.604 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.832 5.203 7.007 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.822 4.159 6.006 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.288 3.607 7.891 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.211 4.390 9.030 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.713 5.327 9.202 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.885 6.898 8.414 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.648 3.586 5.987 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.632 3.258 4.912 1.00 0.00 C ATOM 1341 C LYS B 27 -5.879 1.977 5.253 1.00 0.00 C ATOM 1342 O LYS B 27 -5.568 1.200 4.380 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.631 4.423 4.794 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.162 4.973 6.155 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.529 6.354 5.946 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.609 7.395 5.612 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.174 8.655 6.288 1.00 0.00 N ATOM 0 H LYS B 27 -7.532 4.501 6.423 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.154 3.112 3.966 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.762 4.088 4.228 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.091 5.230 4.224 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.005 5.046 6.842 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.440 4.293 6.607 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.992 6.654 6.846 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.798 6.307 5.139 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.696 7.538 4.535 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.587 7.075 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.987 9.297 6.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.800 8.431 7.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.432 9.114 5.722 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.592 1.759 6.517 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.871 0.516 6.935 1.00 0.00 C ATOM 1363 C LYS B 28 -5.676 -0.722 6.505 1.00 0.00 C ATOM 1364 O LYS B 28 -5.219 -1.496 5.692 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.780 0.587 8.472 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.335 0.802 8.893 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.665 -0.553 9.102 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.188 -0.469 8.703 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.502 -1.582 9.427 1.00 0.00 N ATOM 0 H LYS B 28 -5.829 2.394 7.279 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.884 0.441 6.478 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.402 1.401 8.845 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.163 -0.334 8.911 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.802 1.370 8.130 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.295 1.386 9.812 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.753 -0.855 10.146 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.169 -1.314 8.506 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.069 -0.573 7.625 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.763 0.496 8.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.504 -1.347 9.551 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.944 -1.715 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.587 -2.459 8.875 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.886 -0.886 7.016 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.741 -2.060 6.607 1.00 0.00 C ATOM 1385 C ALA B 29 -8.012 -2.016 5.089 1.00 0.00 C ATOM 1386 O ALA B 29 -8.113 -3.044 4.444 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.052 -1.906 7.389 1.00 0.00 C ATOM 0 H ALA B 29 -7.315 -0.259 7.696 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.255 -3.012 6.820 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.723 -2.728 7.140 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.842 -1.921 8.458 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.524 -0.960 7.125 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.111 -0.822 4.528 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.353 -0.660 3.054 1.00 0.00 C ATOM 1395 C PHE B 30 -7.184 -1.202 2.242 1.00 0.00 C ATOM 1396 O PHE B 30 -7.363 -2.005 1.352 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.450 0.853 2.826 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.816 1.218 2.350 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.135 1.036 1.010 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.756 1.734 3.243 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.411 1.375 0.554 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -12.030 2.071 2.792 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.358 1.892 1.449 1.00 0.00 C ATOM 0 H PHE B 30 -8.032 0.056 5.041 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.247 -1.201 2.745 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.227 1.382 3.752 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.706 1.166 2.093 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.402 0.635 0.326 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.496 1.872 4.282 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.668 1.239 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.761 2.469 3.480 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.345 2.153 1.097 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.989 -0.763 2.552 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.788 -1.252 1.817 1.00 0.00 C ATOM 1415 C ILE B 31 -4.628 -2.749 2.077 1.00 0.00 C ATOM 1416 O ILE B 31 -4.303 -3.500 1.184 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.603 -0.477 2.408 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.544 0.917 1.747 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.276 -1.249 2.195 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.110 1.340 1.534 1.00 0.00 C ATOM 0 H ILE B 31 -5.796 -0.083 3.287 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.861 -1.101 0.740 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.741 -0.364 3.483 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.069 0.896 0.792 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.055 1.646 2.376 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.451 -0.679 2.623 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.338 -2.221 2.685 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.105 -1.390 1.128 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.087 2.325 1.067 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.596 1.381 2.495 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.611 0.620 0.886 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.847 -3.169 3.305 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.713 -4.609 3.648 1.00 0.00 C ATOM 1434 C PHE B 32 -5.735 -5.428 2.821 1.00 0.00 C ATOM 1435 O PHE B 32 -5.404 -6.500 2.346 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.904 -4.689 5.180 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.560 -4.397 5.870 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.885 -3.147 5.686 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.951 -5.390 6.689 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.663 -2.934 6.292 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.728 -5.135 7.279 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.090 -3.925 7.078 1.00 0.00 C ATOM 0 H PHE B 32 -5.114 -2.565 4.083 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.744 -5.040 3.397 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.657 -3.970 5.503 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.265 -5.678 5.463 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.330 -2.375 5.076 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.443 -6.338 6.848 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.151 -1.993 6.154 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.267 -5.887 7.902 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.130 -3.748 7.540 1.00 0.00 H new ATOM 1452 N SER B 33 -6.937 -4.900 2.557 1.00 0.00 N ATOM 1453 CA SER B 33 -7.897 -5.647 1.663 1.00 0.00 C ATOM 1454 C SER B 33 -7.467 -5.448 0.182 1.00 0.00 C ATOM 1455 O SER B 33 -7.606 -6.344 -0.627 1.00 0.00 O ATOM 1456 CB SER B 33 -9.303 -5.082 1.943 1.00 0.00 C ATOM 1457 OG SER B 33 -9.360 -3.706 1.614 1.00 0.00 O ATOM 0 H SER B 33 -7.277 -4.008 2.916 1.00 0.00 H new ATOM 0 HA SER B 33 -7.897 -6.720 1.857 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.044 -5.632 1.363 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.554 -5.221 2.994 1.00 0.00 H new ATOM 0 HG SER B 33 -8.459 -3.322 1.654 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.891 -4.293 -0.149 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.365 -4.021 -1.546 1.00 0.00 C ATOM 1465 C LEU B 34 -5.194 -4.977 -1.843 1.00 0.00 C ATOM 1466 O LEU B 34 -5.055 -5.474 -2.947 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.902 -2.539 -1.506 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.050 -2.149 -2.715 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.941 -1.902 -3.939 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.275 -0.863 -2.394 1.00 0.00 C ATOM 0 H LEU B 34 -6.763 -3.519 0.502 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.105 -4.182 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.777 -1.891 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.330 -2.367 -0.594 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.358 -2.962 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.320 -1.625 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.496 -2.810 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.641 -1.095 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.666 -0.581 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.978 -0.061 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.630 -1.033 -1.532 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.368 -5.236 -0.852 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.207 -6.157 -1.020 1.00 0.00 C ATOM 1484 C TRP B 35 -3.670 -7.616 -1.185 1.00 0.00 C ATOM 1485 O TRP B 35 -3.246 -8.304 -2.093 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.411 -6.035 0.274 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.185 -6.855 0.125 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.952 -8.023 0.745 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.049 -6.610 -0.733 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.267 -8.503 0.339 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.872 -7.655 -0.567 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.268 -5.575 -1.620 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.073 -7.671 -1.261 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.475 -5.588 -2.317 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.373 -6.628 -2.135 1.00 0.00 C ATOM 0 H TRP B 35 -4.457 -4.837 0.082 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.629 -5.897 -1.907 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.154 -4.994 0.469 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.003 -6.381 1.122 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.615 -8.505 1.448 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.676 -9.378 0.666 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.427 -4.761 -1.765 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.770 -8.485 -1.125 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.711 -4.786 -3.000 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.309 -6.630 -2.673 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.518 -8.086 -0.292 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.006 -9.496 -0.360 1.00 0.00 C ATOM 1508 C ASP B 36 -5.943 -9.676 -1.552 1.00 0.00 C ATOM 1509 O ASP B 36 -5.942 -10.715 -2.190 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.752 -9.737 0.963 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.881 -11.242 1.218 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.986 -11.797 1.839 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -6.869 -11.815 0.788 1.00 0.00 O ATOM 0 H ASP B 36 -4.892 -7.543 0.486 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.189 -10.205 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.215 -9.264 1.785 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.740 -9.279 0.923 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.751 -8.673 -1.850 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.697 -8.786 -2.988 1.00 0.00 C ATOM 1520 C ASP B 37 -7.636 -7.537 -3.898 1.00 0.00 C ATOM 1521 O ASP B 37 -8.576 -6.753 -3.926 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.092 -8.940 -2.345 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.120 -10.148 -1.395 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.129 -11.266 -1.883 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.128 -9.928 -0.195 1.00 0.00 O ATOM 0 H ASP B 37 -6.786 -7.787 -1.346 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.452 -9.632 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.348 -8.033 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.845 -9.065 -3.123 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.550 -7.402 -4.658 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.427 -6.261 -5.613 1.00 0.00 C ATOM 1532 C PRO B 38 -7.433 -6.378 -6.778 1.00 0.00 C ATOM 1533 O PRO B 38 -7.527 -5.477 -7.584 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.002 -6.351 -6.120 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.633 -7.787 -5.942 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.348 -8.254 -4.703 1.00 0.00 C ATOM 0 HA PRO B 38 -6.646 -5.306 -5.136 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.933 -6.050 -7.165 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.337 -5.697 -5.555 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.932 -8.376 -6.809 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.554 -7.901 -5.835 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.607 -9.311 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.732 -8.127 -3.812 1.00 0.00 H new ATOM 1544 N SER B 39 -8.218 -7.451 -6.857 1.00 0.00 N ATOM 1545 CA SER B 39 -9.257 -7.555 -7.943 1.00 0.00 C ATOM 1546 C SER B 39 -10.211 -6.356 -7.791 1.00 0.00 C ATOM 1547 O SER B 39 -10.659 -5.772 -8.761 1.00 0.00 O ATOM 1548 CB SER B 39 -10.001 -8.869 -7.685 1.00 0.00 C ATOM 1549 OG SER B 39 -10.324 -9.479 -8.929 1.00 0.00 O ATOM 0 H SER B 39 -8.178 -8.246 -6.220 1.00 0.00 H new ATOM 0 HA SER B 39 -8.834 -7.545 -8.948 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.382 -9.539 -7.088 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.909 -8.680 -7.113 1.00 0.00 H new ATOM 0 HG SER B 39 -10.799 -10.321 -8.767 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.471 -5.973 -6.549 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.340 -4.788 -6.248 1.00 0.00 C ATOM 1557 C GLN B 40 -10.465 -3.528 -6.048 1.00 0.00 C ATOM 1558 O GLN B 40 -10.913 -2.582 -5.448 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.058 -5.090 -4.914 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.464 -6.562 -4.799 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.688 -6.700 -3.888 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.653 -7.343 -4.245 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.691 -6.120 -2.717 1.00 0.00 N ATOM 0 H GLN B 40 -10.107 -6.446 -5.722 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.041 -4.612 -7.064 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.403 -4.829 -4.083 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.945 -4.462 -4.830 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.689 -6.964 -5.787 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.635 -7.146 -4.399 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.881 -5.579 -2.414 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.503 -6.209 -2.106 1.00 0.00 H new ATOM 1572 N SER B 41 -9.214 -3.517 -6.508 1.00 0.00 N ATOM 1573 CA SER B 41 -8.319 -2.319 -6.295 1.00 0.00 C ATOM 1574 C SER B 41 -8.936 -1.032 -6.867 1.00 0.00 C ATOM 1575 O SER B 41 -8.881 0.008 -6.232 1.00 0.00 O ATOM 1576 CB SER B 41 -7.007 -2.639 -7.001 1.00 0.00 C ATOM 1577 OG SER B 41 -7.238 -2.907 -8.382 1.00 0.00 O ATOM 0 H SER B 41 -8.782 -4.287 -7.019 1.00 0.00 H new ATOM 0 HA SER B 41 -8.174 -2.138 -5.230 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.317 -1.802 -6.897 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.535 -3.501 -6.531 1.00 0.00 H new ATOM 0 HG SER B 41 -7.386 -3.867 -8.509 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.550 -1.105 -8.037 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.212 0.108 -8.629 1.00 0.00 C ATOM 1585 C ALA B 42 -11.347 0.541 -7.694 1.00 0.00 C ATOM 1586 O ALA B 42 -11.470 1.701 -7.337 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.785 -0.355 -9.972 1.00 0.00 C ATOM 0 H ALA B 42 -9.619 -1.951 -8.602 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.528 0.947 -8.758 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.284 0.481 -10.462 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.977 -0.717 -10.607 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.502 -1.158 -9.804 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.149 -0.419 -7.277 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.269 -0.152 -6.333 1.00 0.00 C ATOM 1595 C ASN B 43 -12.735 0.259 -4.947 1.00 0.00 C ATOM 1596 O ASN B 43 -13.365 1.030 -4.264 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.046 -1.473 -6.251 1.00 0.00 C ATOM 1598 CG ASN B 43 -14.979 -1.601 -7.460 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -14.693 -2.333 -8.386 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.095 -0.918 -7.493 1.00 0.00 N ATOM 0 H ASN B 43 -12.064 -1.394 -7.563 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.899 0.670 -6.672 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -13.352 -2.313 -6.225 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -14.625 -1.509 -5.328 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.721 -1.002 -8.294 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.339 -0.302 -6.717 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.575 -0.243 -4.534 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.001 0.129 -3.193 1.00 0.00 C ATOM 1609 C LEU B 44 -10.631 1.603 -3.180 1.00 0.00 C ATOM 1610 O LEU B 44 -11.012 2.341 -2.298 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.763 -0.758 -3.036 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.135 -1.972 -2.197 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.363 -3.204 -2.683 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.796 -1.656 -0.739 1.00 0.00 C ATOM 0 H LEU B 44 -11.006 -0.895 -5.075 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.705 -0.022 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.397 -1.072 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.957 -0.201 -2.558 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.199 -2.192 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.636 -4.067 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.611 -3.401 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.292 -3.021 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.053 -2.510 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.730 -1.448 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.364 -0.784 -0.414 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.931 2.025 -4.191 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.552 3.463 -4.341 1.00 0.00 C ATOM 1628 C LEU B 45 -10.828 4.322 -4.327 1.00 0.00 C ATOM 1629 O LEU B 45 -10.899 5.331 -3.648 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.842 3.542 -5.707 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.674 4.999 -6.155 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.126 5.841 -5.004 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.711 5.051 -7.341 1.00 0.00 C ATOM 0 H LEU B 45 -9.595 1.421 -4.941 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.909 3.827 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.865 3.063 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.417 2.993 -6.452 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.643 5.401 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -8.010 6.874 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.819 5.803 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.158 5.448 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.587 6.085 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.744 4.646 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.114 4.459 -8.163 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.840 3.888 -5.046 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.142 4.624 -5.071 1.00 0.00 C ATOM 1647 C ALA B 46 -13.770 4.602 -3.669 1.00 0.00 C ATOM 1648 O ALA B 46 -14.192 5.617 -3.155 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.014 3.818 -6.027 1.00 0.00 C ATOM 0 H ALA B 46 -11.816 3.046 -5.621 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.031 5.665 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.995 4.287 -6.108 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.544 3.788 -7.010 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.127 2.802 -5.648 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.793 3.431 -3.057 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.345 3.258 -1.678 1.00 0.00 C ATOM 1657 C GLU B 47 -13.582 4.138 -0.677 1.00 0.00 C ATOM 1658 O GLU B 47 -14.162 4.659 0.255 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.140 1.765 -1.362 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.267 0.924 -1.997 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.641 1.382 -1.480 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.854 1.346 -0.277 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.463 1.752 -2.302 1.00 0.00 O ATOM 0 H GLU B 47 -13.441 2.570 -3.475 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.392 3.552 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -13.173 1.435 -1.742 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -14.127 1.613 -0.283 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -15.231 1.018 -3.082 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.117 -0.130 -1.763 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.293 4.320 -0.893 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.470 5.194 0.007 1.00 0.00 C ATOM 1672 C ALA B 48 -11.959 6.642 -0.134 1.00 0.00 C ATOM 1673 O ALA B 48 -12.240 7.301 0.849 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.021 5.044 -0.495 1.00 0.00 C ATOM 0 H ALA B 48 -11.775 3.895 -1.662 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.546 4.921 1.060 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.359 5.656 0.117 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.718 3.999 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.960 5.370 -1.533 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.105 7.112 -1.364 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.623 8.506 -1.614 1.00 0.00 C ATOM 1682 C LYS B 49 -14.061 8.631 -1.076 1.00 0.00 C ATOM 1683 O LYS B 49 -14.406 9.607 -0.436 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.601 8.689 -3.139 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.155 8.648 -3.655 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.138 8.869 -5.171 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.738 8.552 -5.721 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.531 9.482 -6.872 1.00 0.00 N ATOM 0 H LYS B 49 -11.885 6.584 -2.208 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.020 9.264 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.188 7.904 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.064 9.639 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.561 9.416 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.700 7.687 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.881 8.232 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.406 9.900 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.975 8.700 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.670 7.512 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.553 9.398 -7.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.189 9.236 -7.639 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.708 10.460 -6.564 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.888 7.621 -1.316 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.307 7.630 -0.804 1.00 0.00 C ATOM 1704 C LYS B 50 -16.318 7.641 0.735 1.00 0.00 C ATOM 1705 O LYS B 50 -17.109 8.337 1.345 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.949 6.337 -1.333 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.178 6.443 -2.848 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.595 5.075 -3.405 1.00 0.00 C ATOM 1709 CE LYS B 50 -19.045 4.764 -3.003 1.00 0.00 C ATOM 1710 NZ LYS B 50 -19.412 3.528 -3.757 1.00 0.00 N ATOM 0 H LYS B 50 -14.635 6.788 -1.848 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.850 8.514 -1.137 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.305 5.486 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.897 6.159 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.951 7.183 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.267 6.785 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.501 5.071 -4.491 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.929 4.300 -3.025 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.129 4.607 -1.928 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.709 5.590 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -20.427 3.336 -3.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -19.203 3.662 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.862 2.724 -3.394 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.429 6.884 1.361 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.359 6.862 2.861 1.00 0.00 C ATOM 1726 C LEU B 51 -14.909 8.238 3.386 1.00 0.00 C ATOM 1727 O LEU B 51 -15.450 8.732 4.362 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.358 5.745 3.215 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.173 5.636 4.741 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.535 5.626 5.457 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.438 4.333 5.061 1.00 0.00 C ATOM 0 H LEU B 51 -14.752 6.283 0.892 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.326 6.664 3.324 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.713 4.794 2.819 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.397 5.949 2.742 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.600 6.496 5.086 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.380 5.548 6.533 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.070 6.549 5.233 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.121 4.774 5.113 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.302 4.247 6.139 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.023 3.487 4.700 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.464 4.335 4.572 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.960 8.881 2.716 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.522 10.257 3.139 1.00 0.00 C ATOM 1745 C ASN B 52 -14.726 11.209 3.043 1.00 0.00 C ATOM 1746 O ASN B 52 -14.880 12.100 3.856 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.363 10.629 2.169 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.708 11.670 1.061 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.451 12.610 1.256 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.127 11.572 -0.098 1.00 0.00 N ATOM 0 H ASN B 52 -13.476 8.508 1.899 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.171 10.317 4.169 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.532 11.017 2.759 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.012 9.717 1.686 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.300 12.275 -0.816 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.498 10.792 -0.289 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.577 11.001 2.044 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.785 11.862 1.857 1.00 0.00 C ATOM 1759 C ASP B 53 -17.739 11.730 3.062 1.00 0.00 C ATOM 1760 O ASP B 53 -18.422 12.673 3.421 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.472 11.348 0.584 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.546 12.345 0.133 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.195 13.315 -0.519 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.702 12.121 0.450 1.00 0.00 O ATOM 0 H ASP B 53 -15.474 10.261 1.350 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.512 12.914 1.776 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.735 11.211 -0.207 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.923 10.374 0.772 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.783 10.560 3.686 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.680 10.354 4.873 1.00 0.00 C ATOM 1771 C ALA B 54 -18.175 11.173 6.076 1.00 0.00 C ATOM 1772 O ALA B 54 -18.957 11.725 6.828 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.607 8.851 5.159 1.00 0.00 C ATOM 0 H ALA B 54 -17.233 9.744 3.418 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.702 10.682 4.687 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.237 8.613 6.016 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.956 8.297 4.287 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.576 8.572 5.377 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.868 11.265 6.237 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.267 12.057 7.360 1.00 0.00 C ATOM 1781 C GLN B 55 -16.242 13.557 7.007 1.00 0.00 C ATOM 1782 O GLN B 55 -16.412 14.403 7.868 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.846 11.492 7.501 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.909 10.104 8.151 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.528 9.455 8.091 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.976 9.068 9.100 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.943 9.326 6.936 1.00 0.00 N ATOM 0 H GLN B 55 -16.186 10.816 5.626 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.833 11.976 8.288 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.371 11.426 6.522 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.236 12.162 8.107 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.239 10.189 9.186 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.639 9.481 7.635 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.409 9.652 6.089 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.019 8.899 6.877 1.00 0.00 H new ATOM 1796 N ALA B 56 -16.022 13.879 5.745 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.966 15.309 5.291 1.00 0.00 C ATOM 1798 C ALA B 56 -16.461 15.422 3.835 1.00 0.00 C ATOM 1799 O ALA B 56 -16.366 14.469 3.099 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.487 15.655 5.378 1.00 0.00 C ATOM 0 H ALA B 56 -15.877 13.196 5.001 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.592 15.973 5.887 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.336 16.688 5.065 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.145 15.534 6.406 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.919 14.991 4.726 1.00 0.00 H new