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= -2.95 K(o=-8,f=-21!) USER MOD Set 1.2: B 26 GLN : amide:sc= -3.36! C(o=-8!,f=-10!) USER MOD Set 1.3: B 55 GLN : amide:sc= -1.7 X(o=-8,f=-7.8) USER MOD Set 2.1: A 28 ASN : amide:sc= -7.14! C(o=-7.6!,f=-12!) USER MOD Set 2.2: B 10 SER OG : rot -170:sc= -0.457 USER MOD Set 3.1: A 32 GLN : amide:sc= -0.0868 K(o=-0.33,f=-2.1) USER MOD Set 3.2: B 6 ASN : amide:sc= -0.239 K(o=-0.33,f=-8!) USER MOD Set 4.1: A 26 GLN : amide:sc= -0.479 K(o=0.84,f=-3.9!) USER MOD Set 4.2: A 55 GLN : amide:sc= 1.32 K(o=0.84,f=-3.9) USER MOD Set 5.1: A 21 ASN : amide:sc= -0.584 K(o=-2.3,f=-6.5!) USER MOD Set 5.2: A 52 ASN : amide:sc= -1.74! C(o=-2.3!,f=-11!) USER MOD Set 6.1: A 14 TYR OH : rot -73:sc= 0.588 USER MOD Set 6.2: A 18 HIS :FLIP no HE2:sc= -22.3! 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+ 178:sc= 0 (180deg=-0.00136) USER MOD Single : A 9 GLN : amide:sc= -1.95! C(o=-1.9!,f=-2!) USER MOD Single : A 10 GLN : amide:sc= -2.74 K(o=-2.7,f=-5.1!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.0376 K(o=0.038,f=-7.7!) USER MOD Single : A 33 SER OG : rot 6:sc= 0.0341 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 1 (180deg=0.911) USER MOD Single : A 39 SER OG : rot -31:sc= 0.343 USER MOD Single : A 40 GLN : amide:sc= -0.561 K(o=-0.56,f=-3.2) USER MOD Single : A 41 SER OG : rot -96:sc= 0.59 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 : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -46:sc= 0.512 USER MOD Single : B 21 ASN : amide:sc= -3.15! C(o=-3.1!,f=-3.4!) USER MOD Single : B 27 LYS NZ :NH3+ -147:sc= 0.218 (180deg=0.0447) USER MOD Single : B 28 LYS NZ :NH3+ -155:sc= 0.497 (180deg=0.192) USER MOD Single : B 33 SER OG : rot -43:sc= -0.382! 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 -90:sc= 0.88 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 174:sc= 0.065 (180deg=0.0533) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 ASN : amide:sc= -7.16! C(o=-7.2!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 4.227 -14.135 7.448 1.00 0.00 N ATOM 68 CA PHE A 5 4.401 -13.520 6.087 1.00 0.00 C ATOM 69 C PHE A 5 3.057 -13.040 5.507 1.00 0.00 C ATOM 70 O PHE A 5 3.035 -12.138 4.688 1.00 0.00 O ATOM 71 CB PHE A 5 5.009 -14.616 5.187 1.00 0.00 C ATOM 72 CG PHE A 5 6.422 -14.991 5.629 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.215 -14.095 6.368 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.940 -16.244 5.283 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.509 -14.454 6.755 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.237 -16.603 5.673 1.00 0.00 C ATOM 77 CZ PHE A 5 9.020 -15.709 6.408 1.00 0.00 C ATOM 0 HA PHE A 5 5.046 -12.643 6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.373 -15.501 5.212 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.031 -14.268 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.822 -13.126 6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.338 -16.937 4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.114 -13.762 7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.632 -17.572 5.405 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.020 -15.987 6.708 1.00 0.00 H new ATOM 87 N ASN A 6 1.945 -13.634 5.926 1.00 0.00 N ATOM 88 CA ASN A 6 0.598 -13.216 5.401 1.00 0.00 C ATOM 89 C ASN A 6 0.380 -11.706 5.594 1.00 0.00 C ATOM 90 O ASN A 6 0.120 -11.005 4.635 1.00 0.00 O ATOM 91 CB ASN A 6 -0.435 -14.021 6.208 1.00 0.00 C ATOM 92 CG ASN A 6 -0.728 -15.351 5.500 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.809 -15.548 4.985 1.00 0.00 O ATOM 94 ND2 ASN A 6 0.189 -16.282 5.452 1.00 0.00 N ATOM 0 H ASN A 6 1.920 -14.390 6.610 1.00 0.00 H new ATOM 0 HA ASN A 6 0.510 -13.410 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.058 -14.209 7.213 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.354 -13.446 6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.007 -17.167 4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.100 -16.123 5.883 1.00 0.00 H new ATOM 101 N LYS A 7 0.519 -11.189 6.810 1.00 0.00 N ATOM 102 CA LYS A 7 0.341 -9.711 7.016 1.00 0.00 C ATOM 103 C LYS A 7 1.678 -8.952 6.896 1.00 0.00 C ATOM 104 O LYS A 7 1.670 -7.740 6.871 1.00 0.00 O ATOM 105 CB LYS A 7 -0.279 -9.509 8.403 1.00 0.00 C ATOM 106 CG LYS A 7 -0.668 -8.037 8.600 1.00 0.00 C ATOM 107 CD LYS A 7 -0.023 -7.475 9.868 1.00 0.00 C ATOM 108 CE LYS A 7 -0.713 -8.055 11.116 1.00 0.00 C ATOM 109 NZ LYS A 7 0.359 -8.762 11.880 1.00 0.00 N ATOM 0 H LYS A 7 0.744 -11.723 7.650 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.311 -9.307 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.159 -10.143 8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.430 -9.812 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.352 -7.453 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.752 -7.948 8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.039 -7.720 9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.100 -6.388 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.165 -7.265 11.716 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.513 -8.741 10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.039 -9.150 12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.744 -9.537 11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.120 -8.092 12.111 1.00 0.00 H new ATOM 123 N GLU A 8 2.821 -9.618 6.767 1.00 0.00 N ATOM 124 CA GLU A 8 4.098 -8.844 6.577 1.00 0.00 C ATOM 125 C GLU A 8 4.027 -8.186 5.210 1.00 0.00 C ATOM 126 O GLU A 8 4.354 -7.032 5.065 1.00 0.00 O ATOM 127 CB GLU A 8 5.257 -9.828 6.631 1.00 0.00 C ATOM 128 CG GLU A 8 5.646 -10.074 8.087 1.00 0.00 C ATOM 129 CD GLU A 8 6.742 -11.147 8.172 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.772 -10.980 7.532 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.545 -12.111 8.889 1.00 0.00 O ATOM 0 H GLU A 8 2.918 -10.633 6.785 1.00 0.00 H new ATOM 0 HA GLU A 8 4.237 -8.085 7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.974 -10.767 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.109 -9.434 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.000 -9.147 8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.772 -10.392 8.655 1.00 0.00 H new ATOM 138 N GLN A 9 3.520 -8.908 4.226 1.00 0.00 N ATOM 139 CA GLN A 9 3.317 -8.324 2.868 1.00 0.00 C ATOM 140 C GLN A 9 2.278 -7.195 2.991 1.00 0.00 C ATOM 141 O GLN A 9 2.399 -6.172 2.370 1.00 0.00 O ATOM 142 CB GLN A 9 2.756 -9.449 1.996 1.00 0.00 C ATOM 143 CG GLN A 9 3.759 -10.591 1.831 1.00 0.00 C ATOM 144 CD GLN A 9 3.088 -11.723 1.050 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.032 -11.687 -0.164 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.565 -12.730 1.698 1.00 0.00 N ATOM 0 H GLN A 9 3.239 -9.884 4.316 1.00 0.00 H new ATOM 0 HA GLN A 9 4.237 -7.925 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.838 -9.832 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.492 -9.052 1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.646 -10.242 1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.089 -10.948 2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.612 -12.761 2.716 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.110 -13.485 1.185 1.00 0.00 H new ATOM 155 N GLN A 10 1.274 -7.393 3.835 1.00 0.00 N ATOM 156 CA GLN A 10 0.212 -6.354 4.080 1.00 0.00 C ATOM 157 C GLN A 10 0.823 -5.123 4.753 1.00 0.00 C ATOM 158 O GLN A 10 0.614 -4.005 4.317 1.00 0.00 O ATOM 159 CB GLN A 10 -0.764 -7.030 5.047 1.00 0.00 C ATOM 160 CG GLN A 10 -2.180 -7.019 4.477 1.00 0.00 C ATOM 161 CD GLN A 10 -2.434 -8.288 3.650 1.00 0.00 C ATOM 162 OE1 GLN A 10 -1.757 -9.285 3.800 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.399 -8.308 2.784 1.00 0.00 N ATOM 0 H GLN A 10 1.149 -8.251 4.372 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.263 -6.022 3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.449 -8.057 5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.749 -6.514 6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.905 -6.955 5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.321 -6.136 3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.977 -7.479 2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.580 -9.153 2.241 1.00 0.00 H new ATOM 172 N ASN A 11 1.581 -5.336 5.811 1.00 0.00 N ATOM 173 CA ASN A 11 2.229 -4.207 6.541 1.00 0.00 C ATOM 174 C ASN A 11 3.295 -3.570 5.652 1.00 0.00 C ATOM 175 O ASN A 11 3.350 -2.370 5.527 1.00 0.00 O ATOM 176 CB ASN A 11 2.876 -4.831 7.787 1.00 0.00 C ATOM 177 CG ASN A 11 3.273 -3.718 8.766 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.432 -3.165 9.445 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.525 -3.358 8.857 1.00 0.00 N ATOM 0 H ASN A 11 1.776 -6.259 6.199 1.00 0.00 H new ATOM 0 HA ASN A 11 1.515 -3.430 6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.180 -5.520 8.265 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.754 -5.411 7.503 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.796 -2.613 9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.232 -3.822 8.287 1.00 0.00 H new ATOM 186 N ALA A 12 4.121 -4.379 5.018 1.00 0.00 N ATOM 187 CA ALA A 12 5.175 -3.836 4.105 1.00 0.00 C ATOM 188 C ALA A 12 4.509 -3.102 2.945 1.00 0.00 C ATOM 189 O ALA A 12 4.927 -2.025 2.586 1.00 0.00 O ATOM 190 CB ALA A 12 5.955 -5.041 3.587 1.00 0.00 C ATOM 0 H ALA A 12 4.106 -5.396 5.098 1.00 0.00 H new ATOM 0 HA ALA A 12 5.833 -3.134 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.741 -4.703 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.402 -5.574 4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.280 -5.709 3.052 1.00 0.00 H new ATOM 196 N PHE A 13 3.447 -3.667 2.393 1.00 0.00 N ATOM 197 CA PHE A 13 2.708 -2.988 1.280 1.00 0.00 C ATOM 198 C PHE A 13 2.226 -1.633 1.784 1.00 0.00 C ATOM 199 O PHE A 13 2.574 -0.605 1.236 1.00 0.00 O ATOM 200 CB PHE A 13 1.502 -3.906 0.954 1.00 0.00 C ATOM 201 CG PHE A 13 0.530 -3.202 0.047 1.00 0.00 C ATOM 202 CD1 PHE A 13 0.984 -2.566 -1.108 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.834 -3.233 0.338 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.077 -1.964 -1.966 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.741 -2.621 -0.517 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.288 -1.992 -1.666 1.00 0.00 C ATOM 0 H PHE A 13 3.065 -4.571 2.671 1.00 0.00 H new ATOM 0 HA PHE A 13 3.324 -2.828 0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.853 -4.822 0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.001 -4.198 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.040 -2.543 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.185 -3.733 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.424 -1.475 -2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.796 -2.635 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.994 -1.521 -2.334 1.00 0.00 H new ATOM 216 N TYR A 14 1.454 -1.648 2.849 1.00 0.00 N ATOM 217 CA TYR A 14 0.934 -0.391 3.447 1.00 0.00 C ATOM 218 C TYR A 14 2.076 0.580 3.763 1.00 0.00 C ATOM 219 O TYR A 14 2.049 1.713 3.349 1.00 0.00 O ATOM 220 CB TYR A 14 0.276 -0.831 4.736 1.00 0.00 C ATOM 221 CG TYR A 14 -0.391 0.349 5.372 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.655 0.738 4.952 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.249 1.047 6.398 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.281 1.792 5.539 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.388 2.127 7.003 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.662 2.502 6.579 1.00 0.00 C ATOM 227 OH TYR A 14 -2.303 3.577 7.178 1.00 0.00 O ATOM 0 H TYR A 14 1.162 -2.498 3.331 1.00 0.00 H new ATOM 0 HA TYR A 14 0.254 0.127 2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.455 -1.614 4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.019 -1.253 5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.144 0.200 4.154 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.236 0.750 6.721 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.264 2.086 5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.102 2.671 7.797 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.295 4.344 6.568 1.00 0.00 H new ATOM 237 N GLU A 15 3.083 0.131 4.490 1.00 0.00 N ATOM 238 CA GLU A 15 4.229 1.029 4.836 1.00 0.00 C ATOM 239 C GLU A 15 4.900 1.541 3.556 1.00 0.00 C ATOM 240 O GLU A 15 5.171 2.714 3.459 1.00 0.00 O ATOM 241 CB GLU A 15 5.190 0.190 5.688 1.00 0.00 C ATOM 242 CG GLU A 15 4.572 -0.114 7.071 1.00 0.00 C ATOM 243 CD GLU A 15 4.242 1.190 7.818 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.153 1.973 8.046 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.086 1.373 8.161 1.00 0.00 O ATOM 0 H GLU A 15 3.155 -0.819 4.855 1.00 0.00 H new ATOM 0 HA GLU A 15 3.906 1.910 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.419 -0.743 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.132 0.724 5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.666 -0.707 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.266 -0.712 7.662 1.00 0.00 H new ATOM 252 N ILE A 16 5.108 0.695 2.550 1.00 0.00 N ATOM 253 CA ILE A 16 5.699 1.194 1.247 1.00 0.00 C ATOM 254 C ILE A 16 4.832 2.358 0.723 1.00 0.00 C ATOM 255 O ILE A 16 5.342 3.406 0.367 1.00 0.00 O ATOM 256 CB ILE A 16 5.700 -0.032 0.293 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.037 -0.766 0.471 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.535 0.382 -1.177 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.825 -2.270 0.397 1.00 0.00 C ATOM 0 H ILE A 16 4.897 -0.303 2.576 1.00 0.00 H new ATOM 0 HA ILE A 16 6.713 1.582 1.347 1.00 0.00 H new ATOM 0 HB ILE A 16 4.856 -0.675 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.738 -0.452 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.481 -0.501 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.541 -0.507 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.589 0.910 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.357 1.037 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.780 -2.779 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.140 -2.580 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.402 -2.531 -0.573 1.00 0.00 H new ATOM 271 N LEU A 17 3.525 2.175 0.719 1.00 0.00 N ATOM 272 CA LEU A 17 2.589 3.274 0.265 1.00 0.00 C ATOM 273 C LEU A 17 2.591 4.461 1.259 1.00 0.00 C ATOM 274 O LEU A 17 2.469 5.600 0.857 1.00 0.00 O ATOM 275 CB LEU A 17 1.173 2.667 0.237 1.00 0.00 C ATOM 276 CG LEU A 17 1.080 1.516 -0.768 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.363 0.342 -0.152 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.253 1.904 -1.963 1.00 0.00 C ATOM 0 H LEU A 17 3.063 1.313 1.010 1.00 0.00 H new ATOM 0 HA LEU A 17 2.905 3.647 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.910 2.306 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.449 3.439 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 17 2.103 1.271 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.304 -0.470 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.909 0.003 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.643 0.642 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.205 1.067 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.754 2.165 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.709 2.762 -2.458 1.00 0.00 H new ATOM 290 N HIS A 18 2.689 4.193 2.551 1.00 0.00 N ATOM 291 CA HIS A 18 2.649 5.289 3.588 1.00 0.00 C ATOM 292 C HIS A 18 4.041 5.884 3.921 1.00 0.00 C ATOM 293 O HIS A 18 4.121 6.805 4.718 1.00 0.00 O ATOM 294 CB HIS A 18 2.023 4.639 4.841 1.00 0.00 C ATOM 295 CG HIS A 18 0.534 4.459 4.643 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.201 3.492 4.001 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.400 5.377 5.105 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.535 3.819 4.038 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.616 4.934 4.722 1.00 0.00 N flip ATOM 0 H HIS A 18 2.796 3.253 2.933 1.00 0.00 H new ATOM 0 HA HIS A 18 2.074 6.135 3.212 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.492 3.674 5.032 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.209 5.263 5.715 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.186 2.656 3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.192 6.276 5.666 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.351 3.269 3.594 1.00 0.00 H new ATOM 307 N LEU A 19 5.132 5.396 3.332 1.00 0.00 N ATOM 308 CA LEU A 19 6.486 5.991 3.651 1.00 0.00 C ATOM 309 C LEU A 19 6.549 7.429 3.092 1.00 0.00 C ATOM 310 O LEU A 19 6.267 7.641 1.923 1.00 0.00 O ATOM 311 CB LEU A 19 7.544 5.102 2.969 1.00 0.00 C ATOM 312 CG LEU A 19 7.934 3.906 3.863 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.839 2.971 3.060 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.689 4.372 5.122 1.00 0.00 C ATOM 0 H LEU A 19 5.140 4.629 2.660 1.00 0.00 H new ATOM 0 HA LEU A 19 6.663 6.032 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.156 4.736 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.431 5.695 2.745 1.00 0.00 H new ATOM 0 HG LEU A 19 7.024 3.395 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.124 2.120 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.305 2.616 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.735 3.509 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.950 3.506 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.598 4.896 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.054 5.044 5.699 1.00 0.00 H new ATOM 326 N PRO A 20 6.888 8.377 3.953 1.00 0.00 N ATOM 327 CA PRO A 20 6.951 9.820 3.548 1.00 0.00 C ATOM 328 C PRO A 20 8.046 10.150 2.503 1.00 0.00 C ATOM 329 O PRO A 20 8.041 11.248 1.971 1.00 0.00 O ATOM 330 CB PRO A 20 7.225 10.547 4.867 1.00 0.00 C ATOM 331 CG PRO A 20 7.872 9.525 5.740 1.00 0.00 C ATOM 332 CD PRO A 20 7.244 8.211 5.377 1.00 0.00 C ATOM 0 HA PRO A 20 6.029 10.119 3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.877 11.408 4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.302 10.920 5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.950 9.500 5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.713 9.755 6.793 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.936 7.382 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.366 8.004 5.988 1.00 0.00 H new ATOM 340 N ASN A 21 8.979 9.254 2.197 1.00 0.00 N ATOM 341 CA ASN A 21 10.037 9.598 1.186 1.00 0.00 C ATOM 342 C ASN A 21 10.045 8.598 0.008 1.00 0.00 C ATOM 343 O ASN A 21 10.946 8.632 -0.815 1.00 0.00 O ATOM 344 CB ASN A 21 11.367 9.557 1.958 1.00 0.00 C ATOM 345 CG ASN A 21 11.312 10.497 3.168 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.164 10.057 4.290 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.438 11.776 2.988 1.00 0.00 N ATOM 0 H ASN A 21 9.047 8.319 2.600 1.00 0.00 H new ATOM 0 HA ASN A 21 9.857 10.576 0.740 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.571 8.539 2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.186 9.848 1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.413 12.409 3.788 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.562 12.149 2.047 1.00 0.00 H new ATOM 354 N LEU A 22 9.042 7.731 -0.104 1.00 0.00 N ATOM 355 CA LEU A 22 9.006 6.771 -1.255 1.00 0.00 C ATOM 356 C LEU A 22 8.233 7.380 -2.422 1.00 0.00 C ATOM 357 O LEU A 22 7.215 8.032 -2.241 1.00 0.00 O ATOM 358 CB LEU A 22 8.302 5.485 -0.764 1.00 0.00 C ATOM 359 CG LEU A 22 9.287 4.506 -0.081 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.766 3.076 -0.231 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.669 4.574 -0.729 1.00 0.00 C ATOM 0 H LEU A 22 8.262 7.656 0.549 1.00 0.00 H new ATOM 0 HA LEU A 22 10.015 6.548 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.511 5.751 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.825 4.988 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 22 9.366 4.787 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.458 2.384 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.786 2.994 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.682 2.829 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.340 3.876 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.590 4.309 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.064 5.586 -0.638 1.00 0.00 H new ATOM 373 N ASN A 23 8.711 7.145 -3.618 1.00 0.00 N ATOM 374 CA ASN A 23 8.020 7.677 -4.839 1.00 0.00 C ATOM 375 C ASN A 23 7.315 6.538 -5.579 1.00 0.00 C ATOM 376 O ASN A 23 7.277 5.415 -5.114 1.00 0.00 O ATOM 377 CB ASN A 23 9.098 8.338 -5.730 1.00 0.00 C ATOM 378 CG ASN A 23 10.321 7.424 -5.922 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.229 6.394 -6.553 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.468 7.765 -5.397 1.00 0.00 N ATOM 0 H ASN A 23 9.555 6.604 -3.805 1.00 0.00 H new ATOM 0 HA ASN A 23 7.259 8.410 -4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.668 8.579 -6.702 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.415 9.279 -5.280 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.283 7.164 -5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.548 8.632 -4.865 1.00 0.00 H new ATOM 387 N GLU A 24 6.755 6.832 -6.723 1.00 0.00 N ATOM 388 CA GLU A 24 6.036 5.775 -7.512 1.00 0.00 C ATOM 389 C GLU A 24 7.015 4.697 -8.021 1.00 0.00 C ATOM 390 O GLU A 24 6.688 3.537 -8.033 1.00 0.00 O ATOM 391 CB GLU A 24 5.336 6.517 -8.674 1.00 0.00 C ATOM 392 CG GLU A 24 6.361 7.061 -9.687 1.00 0.00 C ATOM 393 CD GLU A 24 5.646 7.924 -10.730 1.00 0.00 C ATOM 394 OE1 GLU A 24 5.113 7.362 -11.674 1.00 0.00 O ATOM 395 OE2 GLU A 24 5.642 9.134 -10.568 1.00 0.00 O ATOM 0 H GLU A 24 6.762 7.758 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 24 5.309 5.242 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.647 5.840 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.741 7.340 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.119 7.650 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.877 6.235 -10.176 1.00 0.00 H new ATOM 402 N GLU A 25 8.221 5.058 -8.414 1.00 0.00 N ATOM 403 CA GLU A 25 9.190 4.011 -8.894 1.00 0.00 C ATOM 404 C GLU A 25 9.533 3.030 -7.753 1.00 0.00 C ATOM 405 O GLU A 25 9.546 1.830 -7.951 1.00 0.00 O ATOM 406 CB GLU A 25 10.440 4.782 -9.358 1.00 0.00 C ATOM 407 CG GLU A 25 11.453 3.815 -9.996 1.00 0.00 C ATOM 408 CD GLU A 25 10.865 3.190 -11.269 1.00 0.00 C ATOM 409 OE1 GLU A 25 10.768 3.892 -12.264 1.00 0.00 O ATOM 410 OE2 GLU A 25 10.516 2.021 -11.223 1.00 0.00 O ATOM 0 H GLU A 25 8.571 6.016 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 25 8.773 3.412 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.156 5.550 -10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.897 5.292 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.373 4.348 -10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.715 3.031 -9.285 1.00 0.00 H new ATOM 417 N GLN A 26 9.790 3.544 -6.568 1.00 0.00 N ATOM 418 CA GLN A 26 10.134 2.664 -5.397 1.00 0.00 C ATOM 419 C GLN A 26 8.888 2.021 -4.777 1.00 0.00 C ATOM 420 O GLN A 26 8.844 0.818 -4.619 1.00 0.00 O ATOM 421 CB GLN A 26 10.847 3.580 -4.407 1.00 0.00 C ATOM 422 CG GLN A 26 12.200 3.968 -5.014 1.00 0.00 C ATOM 423 CD GLN A 26 12.951 4.917 -4.090 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.351 5.708 -3.392 1.00 0.00 O ATOM 425 NE2 GLN A 26 14.254 4.870 -4.062 1.00 0.00 N ATOM 0 H GLN A 26 9.776 4.543 -6.360 1.00 0.00 H new ATOM 0 HA GLN A 26 10.762 1.826 -5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.248 4.469 -4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.988 3.073 -3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.797 3.073 -5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.047 4.442 -5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.753 4.203 -4.651 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.774 5.500 -3.451 1.00 0.00 H new ATOM 434 N ARG A 27 7.887 2.805 -4.426 1.00 0.00 N ATOM 435 CA ARG A 27 6.643 2.229 -3.800 1.00 0.00 C ATOM 436 C ARG A 27 5.958 1.195 -4.724 1.00 0.00 C ATOM 437 O ARG A 27 5.567 0.133 -4.279 1.00 0.00 O ATOM 438 CB ARG A 27 5.681 3.416 -3.615 1.00 0.00 C ATOM 439 CG ARG A 27 4.369 2.952 -2.973 1.00 0.00 C ATOM 440 CD ARG A 27 3.327 4.074 -3.065 1.00 0.00 C ATOM 441 NE ARG A 27 3.005 4.194 -4.525 1.00 0.00 N ATOM 442 CZ ARG A 27 3.049 5.361 -5.136 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.059 6.179 -4.940 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.083 5.701 -5.953 1.00 0.00 N ATOM 0 H ARG A 27 7.878 3.818 -4.546 1.00 0.00 H new ATOM 0 HA ARG A 27 6.896 1.723 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.149 4.176 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.476 3.879 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.002 2.058 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.538 2.683 -1.930 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.437 3.833 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.721 5.011 -2.671 1.00 0.00 H new ATOM 0 HE ARG A 27 2.748 3.360 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.817 5.912 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.085 7.080 -5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.303 5.064 -6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.111 6.603 -6.429 1.00 0.00 H new ATOM 458 N ASN A 28 5.785 1.527 -5.996 1.00 0.00 N ATOM 459 CA ASN A 28 5.082 0.590 -6.947 1.00 0.00 C ATOM 460 C ASN A 28 5.945 -0.648 -7.203 1.00 0.00 C ATOM 461 O ASN A 28 5.446 -1.758 -7.165 1.00 0.00 O ATOM 462 CB ASN A 28 4.859 1.364 -8.259 1.00 0.00 C ATOM 463 CG ASN A 28 4.091 2.685 -8.030 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.619 2.963 -6.947 1.00 0.00 O ATOM 465 ND2 ASN A 28 3.950 3.519 -9.024 1.00 0.00 N ATOM 0 H ASN A 28 6.100 2.404 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 28 4.133 0.252 -6.530 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.823 1.580 -8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.304 0.739 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.447 4.396 -8.887 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.343 3.294 -9.938 1.00 0.00 H new ATOM 472 N ALA A 29 7.239 -0.467 -7.430 1.00 0.00 N ATOM 473 CA ALA A 29 8.146 -1.648 -7.649 1.00 0.00 C ATOM 474 C ALA A 29 8.132 -2.540 -6.409 1.00 0.00 C ATOM 475 O ALA A 29 8.162 -3.752 -6.512 1.00 0.00 O ATOM 476 CB ALA A 29 9.535 -1.075 -7.826 1.00 0.00 C ATOM 0 H ALA A 29 7.698 0.443 -7.472 1.00 0.00 H new ATOM 0 HA ALA A 29 7.833 -2.241 -8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.245 -1.886 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.545 -0.405 -8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.817 -0.521 -6.930 1.00 0.00 H new ATOM 482 N PHE A 30 8.060 -1.932 -5.240 1.00 0.00 N ATOM 483 CA PHE A 30 8.006 -2.714 -3.970 1.00 0.00 C ATOM 484 C PHE A 30 6.767 -3.570 -3.951 1.00 0.00 C ATOM 485 O PHE A 30 6.834 -4.720 -3.623 1.00 0.00 O ATOM 486 CB PHE A 30 7.971 -1.681 -2.849 1.00 0.00 C ATOM 487 CG PHE A 30 9.382 -1.231 -2.523 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.490 -2.036 -2.854 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.583 -0.019 -1.866 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.765 -1.637 -2.523 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.875 0.384 -1.545 1.00 0.00 C ATOM 492 CZ PHE A 30 11.966 -0.436 -1.872 1.00 0.00 C ATOM 0 H PHE A 30 8.037 -0.919 -5.119 1.00 0.00 H new ATOM 0 HA PHE A 30 8.860 -3.382 -3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.366 -0.825 -3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.501 -2.108 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.338 -2.972 -3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.740 0.604 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.609 -2.264 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.038 1.327 -1.045 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.968 -0.126 -1.613 1.00 0.00 H new ATOM 502 N ILE A 31 5.656 -3.022 -4.355 1.00 0.00 N ATOM 503 CA ILE A 31 4.401 -3.821 -4.421 1.00 0.00 C ATOM 504 C ILE A 31 4.568 -4.954 -5.459 1.00 0.00 C ATOM 505 O ILE A 31 4.003 -6.010 -5.287 1.00 0.00 O ATOM 506 CB ILE A 31 3.327 -2.805 -4.798 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.125 -1.865 -3.605 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.031 -3.515 -5.117 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.524 -0.549 -4.065 1.00 0.00 C ATOM 0 H ILE A 31 5.563 -2.048 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 31 4.138 -4.321 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 31 3.635 -2.241 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.470 -2.334 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.080 -1.683 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.271 -2.781 -5.385 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.186 -4.198 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.700 -4.078 -4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.386 0.108 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.194 -0.074 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.560 -0.735 -4.538 1.00 0.00 H new ATOM 521 N GLN A 32 5.381 -4.762 -6.497 1.00 0.00 N ATOM 522 CA GLN A 32 5.610 -5.877 -7.488 1.00 0.00 C ATOM 523 C GLN A 32 6.479 -6.970 -6.821 1.00 0.00 C ATOM 524 O GLN A 32 6.137 -8.136 -6.849 1.00 0.00 O ATOM 525 CB GLN A 32 6.340 -5.245 -8.691 1.00 0.00 C ATOM 526 CG GLN A 32 5.462 -4.159 -9.347 1.00 0.00 C ATOM 527 CD GLN A 32 4.207 -4.779 -9.970 1.00 0.00 C ATOM 528 OE1 GLN A 32 3.110 -4.481 -9.552 1.00 0.00 O ATOM 529 NE2 GLN A 32 4.318 -5.626 -10.961 1.00 0.00 N ATOM 0 H GLN A 32 5.884 -3.896 -6.692 1.00 0.00 H new ATOM 0 HA GLN A 32 4.680 -6.343 -7.812 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.284 -4.809 -8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.582 -6.016 -9.423 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.175 -3.417 -8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.034 -3.636 -10.114 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.241 -5.879 -11.315 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.482 -6.034 -11.380 1.00 0.00 H new ATOM 538 N SER A 33 7.571 -6.577 -6.176 1.00 0.00 N ATOM 539 CA SER A 33 8.458 -7.559 -5.443 1.00 0.00 C ATOM 540 C SER A 33 7.744 -8.120 -4.192 1.00 0.00 C ATOM 541 O SER A 33 8.005 -9.226 -3.766 1.00 0.00 O ATOM 542 CB SER A 33 9.714 -6.766 -5.049 1.00 0.00 C ATOM 543 OG SER A 33 9.345 -5.558 -4.398 1.00 0.00 O ATOM 0 H SER A 33 7.886 -5.608 -6.128 1.00 0.00 H new ATOM 0 HA SER A 33 8.705 -8.419 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.341 -7.367 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.306 -6.544 -5.937 1.00 0.00 H new ATOM 0 HG SER A 33 8.376 -5.546 -4.255 1.00 0.00 H new ATOM 549 N LEU A 34 6.856 -7.345 -3.610 1.00 0.00 N ATOM 550 CA LEU A 34 6.101 -7.763 -2.384 1.00 0.00 C ATOM 551 C LEU A 34 4.916 -8.685 -2.746 1.00 0.00 C ATOM 552 O LEU A 34 4.715 -9.703 -2.103 1.00 0.00 O ATOM 553 CB LEU A 34 5.641 -6.415 -1.798 1.00 0.00 C ATOM 554 CG LEU A 34 4.933 -6.573 -0.459 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.932 -6.896 0.629 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.252 -5.258 -0.115 1.00 0.00 C ATOM 0 H LEU A 34 6.617 -6.412 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 34 6.691 -8.348 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.505 -5.763 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.971 -5.925 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 34 4.207 -7.382 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.411 -7.006 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.446 -7.826 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.660 -6.089 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.739 -5.353 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.000 -4.467 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.528 -5.009 -0.891 1.00 0.00 H new ATOM 568 N LYS A 35 4.134 -8.338 -3.765 1.00 0.00 N ATOM 569 CA LYS A 35 2.958 -9.201 -4.167 1.00 0.00 C ATOM 570 C LYS A 35 3.451 -10.548 -4.727 1.00 0.00 C ATOM 571 O LYS A 35 2.835 -11.572 -4.492 1.00 0.00 O ATOM 572 CB LYS A 35 2.152 -8.393 -5.221 1.00 0.00 C ATOM 573 CG LYS A 35 1.072 -7.566 -4.531 1.00 0.00 C ATOM 574 CD LYS A 35 -0.275 -7.772 -5.222 1.00 0.00 C ATOM 575 CE LYS A 35 -1.398 -7.706 -4.178 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.912 -9.104 -4.055 1.00 0.00 N ATOM 0 H LYS A 35 4.262 -7.498 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 35 2.322 -9.438 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.822 -7.739 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.696 -9.072 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.998 -7.854 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.343 -6.510 -4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.426 -7.007 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.292 -8.736 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.024 -7.340 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.188 -7.024 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.559 -9.166 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.420 -9.365 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.114 -9.756 -3.912 1.00 0.00 H new ATOM 590 N ASP A 36 4.562 -10.559 -5.446 1.00 0.00 N ATOM 591 CA ASP A 36 5.105 -11.846 -6.005 1.00 0.00 C ATOM 592 C ASP A 36 6.016 -12.575 -4.990 1.00 0.00 C ATOM 593 O ASP A 36 6.047 -13.793 -4.969 1.00 0.00 O ATOM 594 CB ASP A 36 5.887 -11.454 -7.268 1.00 0.00 C ATOM 595 CG ASP A 36 4.905 -11.112 -8.397 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.340 -12.033 -8.963 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.730 -9.936 -8.675 1.00 0.00 O ATOM 0 H ASP A 36 5.113 -9.730 -5.667 1.00 0.00 H new ATOM 0 HA ASP A 36 4.299 -12.545 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.529 -10.598 -7.059 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.537 -12.273 -7.574 1.00 0.00 H new ATOM 602 N ASP A 37 6.751 -11.854 -4.151 1.00 0.00 N ATOM 603 CA ASP A 37 7.651 -12.526 -3.146 1.00 0.00 C ATOM 604 C ASP A 37 7.165 -12.247 -1.703 1.00 0.00 C ATOM 605 O ASP A 37 7.408 -11.177 -1.164 1.00 0.00 O ATOM 606 CB ASP A 37 9.055 -11.942 -3.375 1.00 0.00 C ATOM 607 CG ASP A 37 10.116 -12.950 -2.915 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.186 -13.215 -1.725 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.839 -13.444 -3.763 1.00 0.00 O ATOM 0 H ASP A 37 6.762 -10.834 -4.123 1.00 0.00 H new ATOM 0 HA ASP A 37 7.649 -13.609 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.195 -11.709 -4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.165 -11.007 -2.825 1.00 0.00 H new ATOM 614 N PRO A 38 6.481 -13.226 -1.127 1.00 0.00 N ATOM 615 CA PRO A 38 5.948 -13.091 0.264 1.00 0.00 C ATOM 616 C PRO A 38 7.064 -13.067 1.332 1.00 0.00 C ATOM 617 O PRO A 38 6.973 -12.324 2.293 1.00 0.00 O ATOM 618 CB PRO A 38 5.072 -14.335 0.425 1.00 0.00 C ATOM 619 CG PRO A 38 5.636 -15.327 -0.531 1.00 0.00 C ATOM 620 CD PRO A 38 6.130 -14.538 -1.705 1.00 0.00 C ATOM 0 HA PRO A 38 5.413 -12.152 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.103 -14.710 1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.029 -14.116 0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.447 -15.893 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.878 -16.048 -0.837 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.993 -15.013 -2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.364 -14.444 -2.474 1.00 0.00 H new ATOM 628 N SER A 39 8.099 -13.882 1.184 1.00 0.00 N ATOM 629 CA SER A 39 9.209 -13.916 2.209 1.00 0.00 C ATOM 630 C SER A 39 10.033 -12.611 2.217 1.00 0.00 C ATOM 631 O SER A 39 10.523 -12.206 3.258 1.00 0.00 O ATOM 632 CB SER A 39 10.090 -15.121 1.835 1.00 0.00 C ATOM 633 OG SER A 39 10.796 -14.859 0.625 1.00 0.00 O ATOM 0 H SER A 39 8.221 -14.522 0.399 1.00 0.00 H new ATOM 0 HA SER A 39 8.801 -14.009 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.796 -15.328 2.639 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.471 -16.011 1.718 1.00 0.00 H new ATOM 0 HG SER A 39 10.256 -14.277 0.051 1.00 0.00 H new ATOM 639 N GLN A 40 10.182 -11.948 1.082 1.00 0.00 N ATOM 640 CA GLN A 40 10.966 -10.667 1.048 1.00 0.00 C ATOM 641 C GLN A 40 10.117 -9.469 1.518 1.00 0.00 C ATOM 642 O GLN A 40 10.613 -8.372 1.555 1.00 0.00 O ATOM 643 CB GLN A 40 11.367 -10.465 -0.426 1.00 0.00 C ATOM 644 CG GLN A 40 12.568 -9.516 -0.519 1.00 0.00 C ATOM 645 CD GLN A 40 12.824 -9.158 -1.987 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.078 -8.404 -2.580 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.853 -9.673 -2.609 1.00 0.00 N ATOM 0 H GLN A 40 9.795 -12.241 0.185 1.00 0.00 H new ATOM 0 HA GLN A 40 11.827 -10.726 1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.616 -11.425 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.526 -10.057 -0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.376 -8.612 0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.452 -9.987 -0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.482 -10.306 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.026 -9.441 -3.587 1.00 0.00 H new ATOM 656 N SER A 41 8.843 -9.655 1.840 1.00 0.00 N ATOM 657 CA SER A 41 7.977 -8.489 2.245 1.00 0.00 C ATOM 658 C SER A 41 8.573 -7.652 3.384 1.00 0.00 C ATOM 659 O SER A 41 8.669 -6.447 3.246 1.00 0.00 O ATOM 660 CB SER A 41 6.627 -9.089 2.658 1.00 0.00 C ATOM 661 OG SER A 41 6.788 -9.935 3.795 1.00 0.00 O ATOM 0 H SER A 41 8.373 -10.560 1.838 1.00 0.00 H new ATOM 0 HA SER A 41 7.884 -7.794 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.921 -8.290 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.206 -9.658 1.829 1.00 0.00 H new ATOM 0 HG SER A 41 6.875 -10.866 3.501 1.00 0.00 H new ATOM 667 N ALA A 42 8.989 -8.245 4.490 1.00 0.00 N ATOM 668 CA ALA A 42 9.604 -7.407 5.581 1.00 0.00 C ATOM 669 C ALA A 42 10.847 -6.706 5.036 1.00 0.00 C ATOM 670 O ALA A 42 11.020 -5.523 5.230 1.00 0.00 O ATOM 671 CB ALA A 42 10.035 -8.361 6.659 1.00 0.00 C ATOM 0 H ALA A 42 8.931 -9.245 4.680 1.00 0.00 H new ATOM 0 HA ALA A 42 8.899 -6.662 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.490 -7.803 7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.168 -8.907 7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.761 -9.065 6.253 1.00 0.00 H new ATOM 677 N ASN A 43 11.686 -7.438 4.315 1.00 0.00 N ATOM 678 CA ASN A 43 12.903 -6.827 3.685 1.00 0.00 C ATOM 679 C ASN A 43 12.470 -5.709 2.752 1.00 0.00 C ATOM 680 O ASN A 43 13.133 -4.716 2.652 1.00 0.00 O ATOM 681 CB ASN A 43 13.553 -7.917 2.845 1.00 0.00 C ATOM 682 CG ASN A 43 14.832 -8.426 3.521 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.878 -8.469 2.904 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.799 -8.817 4.769 1.00 0.00 N ATOM 0 H ASN A 43 11.572 -8.436 4.140 1.00 0.00 H new ATOM 0 HA ASN A 43 13.582 -6.434 4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.855 -8.742 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.788 -7.529 1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.649 -9.156 5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.923 -8.783 5.291 1.00 0.00 H new ATOM 691 N LEU A 44 11.350 -5.892 2.075 1.00 0.00 N ATOM 692 CA LEU A 44 10.828 -4.852 1.143 1.00 0.00 C ATOM 693 C LEU A 44 10.418 -3.639 1.907 1.00 0.00 C ATOM 694 O LEU A 44 10.732 -2.537 1.512 1.00 0.00 O ATOM 695 CB LEU A 44 9.646 -5.467 0.431 1.00 0.00 C ATOM 696 CG LEU A 44 10.191 -6.394 -0.623 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.035 -7.149 -1.246 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.948 -5.553 -1.653 1.00 0.00 C ATOM 0 H LEU A 44 10.775 -6.733 2.137 1.00 0.00 H new ATOM 0 HA LEU A 44 11.588 -4.539 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.015 -6.012 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.025 -4.694 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 44 10.882 -7.125 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.413 -7.826 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.519 -7.724 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.340 -6.442 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.353 -6.204 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.267 -4.831 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.764 -5.024 -1.161 1.00 0.00 H new ATOM 710 N LEU A 45 9.772 -3.819 3.030 1.00 0.00 N ATOM 711 CA LEU A 45 9.447 -2.624 3.832 1.00 0.00 C ATOM 712 C LEU A 45 10.760 -2.080 4.394 1.00 0.00 C ATOM 713 O LEU A 45 10.980 -0.908 4.365 1.00 0.00 O ATOM 714 CB LEU A 45 8.508 -3.058 4.929 1.00 0.00 C ATOM 715 CG LEU A 45 8.355 -1.920 5.936 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.059 -0.591 5.201 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.227 -2.273 6.888 1.00 0.00 C ATOM 0 H LEU A 45 9.467 -4.715 3.410 1.00 0.00 H new ATOM 0 HA LEU A 45 8.964 -1.840 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.537 -3.322 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.895 -3.949 5.424 1.00 0.00 H new ATOM 0 HG LEU A 45 9.280 -1.788 6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.952 0.212 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.881 -0.359 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.135 -0.689 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.101 -1.472 7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.302 -2.400 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.466 -3.201 7.407 1.00 0.00 H new ATOM 729 N ALA A 46 11.635 -2.938 4.873 1.00 0.00 N ATOM 730 CA ALA A 46 12.966 -2.466 5.393 1.00 0.00 C ATOM 731 C ALA A 46 13.717 -1.699 4.307 1.00 0.00 C ATOM 732 O ALA A 46 14.246 -0.656 4.578 1.00 0.00 O ATOM 733 CB ALA A 46 13.758 -3.722 5.699 1.00 0.00 C ATOM 0 H ALA A 46 11.486 -3.946 4.927 1.00 0.00 H new ATOM 0 HA ALA A 46 12.834 -1.818 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.741 -3.448 6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.228 -4.313 6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.875 -4.309 4.788 1.00 0.00 H new ATOM 739 N GLU A 47 13.747 -2.208 3.082 1.00 0.00 N ATOM 740 CA GLU A 47 14.444 -1.475 1.979 1.00 0.00 C ATOM 741 C GLU A 47 13.621 -0.235 1.632 1.00 0.00 C ATOM 742 O GLU A 47 14.180 0.812 1.387 1.00 0.00 O ATOM 743 CB GLU A 47 14.647 -2.439 0.793 1.00 0.00 C ATOM 744 CG GLU A 47 13.356 -2.983 0.243 1.00 0.00 C ATOM 745 CD GLU A 47 13.683 -4.156 -0.694 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.785 -5.271 -0.203 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.847 -3.923 -1.877 1.00 0.00 O ATOM 0 H GLU A 47 13.319 -3.093 2.810 1.00 0.00 H new ATOM 0 HA GLU A 47 15.435 -1.130 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.183 -1.919 -0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.277 -3.269 1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.708 -3.315 1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.817 -2.205 -0.297 1.00 0.00 H new ATOM 754 N ALA A 48 12.293 -0.320 1.675 1.00 0.00 N ATOM 755 CA ALA A 48 11.469 0.891 1.438 1.00 0.00 C ATOM 756 C ALA A 48 11.708 1.910 2.569 1.00 0.00 C ATOM 757 O ALA A 48 11.790 3.100 2.329 1.00 0.00 O ATOM 758 CB ALA A 48 10.044 0.371 1.488 1.00 0.00 C ATOM 0 H ALA A 48 11.768 -1.174 1.863 1.00 0.00 H new ATOM 0 HA ALA A 48 11.700 1.395 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.350 1.195 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.904 -0.382 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.853 -0.074 2.465 1.00 0.00 H new ATOM 764 N LYS A 49 11.864 1.431 3.797 1.00 0.00 N ATOM 765 CA LYS A 49 12.147 2.325 4.962 1.00 0.00 C ATOM 766 C LYS A 49 13.606 2.783 4.874 1.00 0.00 C ATOM 767 O LYS A 49 13.936 3.916 5.168 1.00 0.00 O ATOM 768 CB LYS A 49 11.876 1.457 6.185 1.00 0.00 C ATOM 769 CG LYS A 49 10.462 1.768 6.662 1.00 0.00 C ATOM 770 CD LYS A 49 9.867 0.538 7.316 1.00 0.00 C ATOM 771 CE LYS A 49 10.362 0.461 8.751 1.00 0.00 C ATOM 772 NZ LYS A 49 9.616 -0.674 9.375 1.00 0.00 N ATOM 0 H LYS A 49 11.804 0.440 4.032 1.00 0.00 H new ATOM 0 HA LYS A 49 11.538 3.228 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.973 0.401 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.601 1.666 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.480 2.597 7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.844 2.081 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.778 0.588 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.156 -0.359 6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.438 0.289 8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.171 1.394 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.912 -0.780 10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.595 -0.481 9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.822 -1.552 8.856 1.00 0.00 H new ATOM 786 N LYS A 50 14.448 1.901 4.379 1.00 0.00 N ATOM 787 CA LYS A 50 15.886 2.214 4.124 1.00 0.00 C ATOM 788 C LYS A 50 15.908 3.346 3.083 1.00 0.00 C ATOM 789 O LYS A 50 16.680 4.279 3.188 1.00 0.00 O ATOM 790 CB LYS A 50 16.438 0.882 3.571 1.00 0.00 C ATOM 791 CG LYS A 50 17.673 1.057 2.681 1.00 0.00 C ATOM 792 CD LYS A 50 17.710 -0.107 1.674 1.00 0.00 C ATOM 793 CE LYS A 50 18.117 -1.407 2.391 1.00 0.00 C ATOM 794 NZ LYS A 50 18.282 -2.425 1.311 1.00 0.00 N ATOM 0 H LYS A 50 14.183 0.947 4.135 1.00 0.00 H new ATOM 0 HA LYS A 50 16.472 2.547 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.691 0.228 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.656 0.382 3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.631 2.012 2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.580 1.065 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.732 -0.229 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.417 0.114 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.044 -1.273 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.355 -1.715 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.559 -3.335 1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.383 -2.539 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.019 -2.111 0.648 1.00 0.00 H new ATOM 808 N LEU A 51 15.000 3.278 2.116 1.00 0.00 N ATOM 809 CA LEU A 51 14.875 4.356 1.089 1.00 0.00 C ATOM 810 C LEU A 51 14.295 5.608 1.746 1.00 0.00 C ATOM 811 O LEU A 51 14.695 6.713 1.449 1.00 0.00 O ATOM 812 CB LEU A 51 13.880 3.804 0.049 1.00 0.00 C ATOM 813 CG LEU A 51 14.584 3.252 -1.196 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.992 2.761 -0.869 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.776 2.081 -1.749 1.00 0.00 C ATOM 0 H LEU A 51 14.340 2.508 2.005 1.00 0.00 H new ATOM 0 HA LEU A 51 15.832 4.621 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.282 3.015 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.191 4.595 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 51 14.657 4.056 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.462 2.376 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.584 3.588 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.937 1.968 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.271 1.683 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.703 1.300 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.776 2.423 -2.015 1.00 0.00 H new ATOM 827 N ASN A 52 13.348 5.420 2.641 1.00 0.00 N ATOM 828 CA ASN A 52 12.704 6.560 3.349 1.00 0.00 C ATOM 829 C ASN A 52 13.741 7.370 4.147 1.00 0.00 C ATOM 830 O ASN A 52 13.726 8.581 4.116 1.00 0.00 O ATOM 831 CB ASN A 52 11.680 5.913 4.286 1.00 0.00 C ATOM 832 CG ASN A 52 10.735 6.976 4.830 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.843 7.416 4.139 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.902 7.414 6.045 1.00 0.00 N ATOM 0 H ASN A 52 12.993 4.502 2.910 1.00 0.00 H new ATOM 0 HA ASN A 52 12.240 7.261 2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.115 5.150 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.191 5.412 5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.280 8.131 6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.655 7.040 6.623 1.00 0.00 H new ATOM 841 N ASP A 53 14.635 6.697 4.849 1.00 0.00 N ATOM 842 CA ASP A 53 15.692 7.411 5.651 1.00 0.00 C ATOM 843 C ASP A 53 16.851 7.882 4.756 1.00 0.00 C ATOM 844 O ASP A 53 17.345 8.985 4.914 1.00 0.00 O ATOM 845 CB ASP A 53 16.185 6.381 6.669 1.00 0.00 C ATOM 846 CG ASP A 53 17.132 7.045 7.675 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.641 7.630 8.626 1.00 0.00 O ATOM 848 OD2 ASP A 53 18.333 6.957 7.475 1.00 0.00 O ATOM 0 H ASP A 53 14.677 5.679 4.900 1.00 0.00 H new ATOM 0 HA ASP A 53 15.294 8.306 6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.336 5.941 7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.699 5.568 6.156 1.00 0.00 H new ATOM 853 N ALA A 54 17.284 7.057 3.818 1.00 0.00 N ATOM 854 CA ALA A 54 18.412 7.453 2.899 1.00 0.00 C ATOM 855 C ALA A 54 17.985 8.653 2.038 1.00 0.00 C ATOM 856 O ALA A 54 18.737 9.596 1.865 1.00 0.00 O ATOM 857 CB ALA A 54 18.677 6.226 2.024 1.00 0.00 C ATOM 0 H ALA A 54 16.903 6.126 3.650 1.00 0.00 H new ATOM 0 HA ALA A 54 19.306 7.751 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.488 6.443 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.956 5.382 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.776 5.977 1.463 1.00 0.00 H new ATOM 863 N GLN A 55 16.766 8.631 1.532 1.00 0.00 N ATOM 864 CA GLN A 55 16.245 9.775 0.713 1.00 0.00 C ATOM 865 C GLN A 55 15.610 10.858 1.618 1.00 0.00 C ATOM 866 O GLN A 55 15.220 11.909 1.137 1.00 0.00 O ATOM 867 CB GLN A 55 15.161 9.185 -0.190 1.00 0.00 C ATOM 868 CG GLN A 55 15.734 8.091 -1.102 1.00 0.00 C ATOM 869 CD GLN A 55 14.599 7.548 -1.958 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.646 7.617 -3.168 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.561 7.021 -1.369 1.00 0.00 N ATOM 0 H GLN A 55 16.108 7.861 1.655 1.00 0.00 H new ATOM 0 HA GLN A 55 17.051 10.244 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.360 8.770 0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.720 9.975 -0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.526 8.497 -1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.178 7.293 -0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.526 6.965 -0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.785 6.665 -1.926 1.00 0.00 H new ATOM 880 N ALA A 56 15.483 10.601 2.921 1.00 0.00 N ATOM 881 CA ALA A 56 14.853 11.601 3.847 1.00 0.00 C ATOM 882 C ALA A 56 15.653 12.903 3.907 1.00 0.00 C ATOM 883 O ALA A 56 16.865 12.899 3.762 1.00 0.00 O ATOM 884 CB ALA A 56 14.837 10.969 5.241 1.00 0.00 C ATOM 0 H ALA A 56 15.792 9.739 3.370 1.00 0.00 H new ATOM 0 HA ALA A 56 13.853 11.845 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.386 11.663 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.256 10.047 5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.858 10.746 5.551 1.00 0.00 H new ATOM 1014 N ASN B 6 -1.244 -6.156 -8.926 1.00 0.00 N ATOM 1015 CA ASN B 6 -0.164 -5.541 -8.064 1.00 0.00 C ATOM 1016 C ASN B 6 0.154 -4.116 -8.539 1.00 0.00 C ATOM 1017 O ASN B 6 0.353 -3.222 -7.739 1.00 0.00 O ATOM 1018 CB ASN B 6 1.092 -6.463 -8.107 1.00 0.00 C ATOM 1019 CG ASN B 6 1.401 -7.020 -9.519 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.095 -6.411 -10.525 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.010 -8.172 -9.628 1.00 0.00 N ATOM 0 HA ASN B 6 -0.504 -5.461 -7.032 1.00 0.00 H new ATOM 0 HB2 ASN B 6 1.956 -5.904 -7.749 1.00 0.00 H new ATOM 0 HB3 ASN B 6 0.945 -7.297 -7.420 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.224 -8.551 -10.551 1.00 0.00 H new ATOM 0 HD22 ASN B 6 2.272 -8.692 -8.790 1.00 0.00 H new ATOM 1028 N LYS B 7 0.144 -3.901 -9.835 1.00 0.00 N ATOM 1029 CA LYS B 7 0.383 -2.524 -10.397 1.00 0.00 C ATOM 1030 C LYS B 7 -0.723 -1.575 -9.957 1.00 0.00 C ATOM 1031 O LYS B 7 -0.499 -0.392 -9.789 1.00 0.00 O ATOM 1032 CB LYS B 7 0.358 -2.679 -11.921 1.00 0.00 C ATOM 1033 CG LYS B 7 1.576 -3.490 -12.389 1.00 0.00 C ATOM 1034 CD LYS B 7 1.562 -3.621 -13.918 1.00 0.00 C ATOM 1035 CE LYS B 7 2.110 -2.338 -14.564 1.00 0.00 C ATOM 1036 NZ LYS B 7 3.584 -2.550 -14.699 1.00 0.00 N ATOM 0 H LYS B 7 -0.020 -4.624 -10.535 1.00 0.00 H new ATOM 0 HA LYS B 7 1.330 -2.112 -10.048 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -0.561 -3.178 -12.229 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.361 -1.697 -12.394 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.495 -3.001 -12.066 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.563 -4.479 -11.931 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.164 -4.477 -14.223 1.00 0.00 H new ATOM 0 HD3 LYS B 7 0.546 -3.807 -14.265 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.649 -2.162 -15.536 1.00 0.00 H new ATOM 0 HE3 LYS B 7 1.895 -1.466 -13.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 4.017 -1.710 -15.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 4.000 -2.707 -13.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 3.762 -3.381 -15.299 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.909 -2.092 -9.756 1.00 0.00 N ATOM 1051 CA GLU B 8 -3.030 -1.226 -9.302 1.00 0.00 C ATOM 1052 C GLU B 8 -2.829 -0.776 -7.863 1.00 0.00 C ATOM 1053 O GLU B 8 -3.306 0.263 -7.496 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.310 -2.040 -9.444 1.00 0.00 C ATOM 1055 CG GLU B 8 -5.169 -1.382 -10.514 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.759 -0.056 -9.990 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -5.105 0.965 -10.137 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -6.855 -0.088 -9.451 1.00 0.00 O ATOM 0 H GLU B 8 -2.145 -3.075 -9.888 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.080 -0.320 -9.906 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -4.079 -3.069 -9.720 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.845 -2.077 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.570 -1.194 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.975 -2.055 -10.807 1.00 0.00 H new ATOM 1065 N LEU B 9 -2.093 -1.516 -7.061 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.847 -1.056 -5.652 1.00 0.00 C ATOM 1067 C LEU B 9 -1.012 0.220 -5.669 1.00 0.00 C ATOM 1068 O LEU B 9 -1.071 1.010 -4.750 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.070 -2.125 -4.897 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.667 -3.525 -5.069 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.673 -4.557 -4.504 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.990 -3.584 -4.294 1.00 0.00 C ATOM 0 H LEU B 9 -1.659 -2.403 -7.315 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.805 -0.872 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.037 -2.130 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.049 -1.872 -3.837 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.852 -3.745 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.085 -5.560 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.271 -4.488 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.501 -4.355 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.432 -4.574 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.803 -3.385 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.676 -2.835 -4.688 1.00 0.00 H new ATOM 1084 N SER B 10 -0.246 0.437 -6.717 1.00 0.00 N ATOM 1085 CA SER B 10 0.561 1.681 -6.805 1.00 0.00 C ATOM 1086 C SER B 10 -0.414 2.883 -6.834 1.00 0.00 C ATOM 1087 O SER B 10 -0.311 3.807 -6.044 1.00 0.00 O ATOM 1088 CB SER B 10 1.335 1.529 -8.131 1.00 0.00 C ATOM 1089 OG SER B 10 1.283 2.733 -8.894 1.00 0.00 O ATOM 0 H SER B 10 -0.151 -0.198 -7.509 1.00 0.00 H new ATOM 0 HA SER B 10 1.244 1.843 -5.972 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.373 1.271 -7.923 1.00 0.00 H new ATOM 0 HB3 SER B 10 0.913 0.708 -8.711 1.00 0.00 H new ATOM 0 HG SER B 10 1.641 2.567 -9.791 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.372 2.832 -7.742 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.396 3.925 -7.890 1.00 0.00 C ATOM 1097 C VAL B 11 -3.525 3.754 -6.854 1.00 0.00 C ATOM 1098 O VAL B 11 -3.789 4.644 -6.066 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.944 3.762 -9.330 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.792 4.977 -9.709 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.785 3.615 -10.333 1.00 0.00 C ATOM 0 H VAL B 11 -1.487 2.061 -8.400 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.970 4.914 -7.723 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.561 2.864 -9.364 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.173 4.853 -10.723 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.628 5.067 -9.016 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.180 5.878 -9.659 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.187 3.501 -11.340 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.154 4.503 -10.292 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.192 2.737 -10.078 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.176 2.606 -6.859 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.292 2.318 -5.892 1.00 0.00 C ATOM 1113 C ALA B 12 -4.799 2.357 -4.444 1.00 0.00 C ATOM 1114 O ALA B 12 -5.453 2.899 -3.581 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.782 0.894 -6.237 1.00 0.00 C ATOM 0 H ALA B 12 -3.975 1.843 -7.506 1.00 0.00 H new ATOM 0 HA ALA B 12 -6.082 3.064 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.598 0.618 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.134 0.870 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.961 0.188 -6.118 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.656 1.785 -4.192 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.087 1.740 -2.817 1.00 0.00 C ATOM 1123 C GLY B 13 -2.698 3.121 -2.327 1.00 0.00 C ATOM 1124 O GLY B 13 -3.179 3.562 -1.301 1.00 0.00 O ATOM 0 H GLY B 13 -3.077 1.335 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.817 1.304 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.212 1.090 -2.806 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.796 3.784 -3.020 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.331 5.133 -2.542 1.00 0.00 C ATOM 1130 C ARG B 14 -2.494 6.144 -2.416 1.00 0.00 C ATOM 1131 O ARG B 14 -2.521 6.929 -1.484 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.280 5.627 -3.543 1.00 0.00 C ATOM 1133 CG ARG B 14 0.936 6.174 -2.786 1.00 0.00 C ATOM 1134 CD ARG B 14 0.521 7.271 -1.805 1.00 0.00 C ATOM 1135 NE ARG B 14 1.729 7.502 -0.967 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.094 8.716 -0.650 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.071 9.294 -1.304 1.00 0.00 N ATOM 1138 NH2 ARG B 14 1.486 9.349 0.325 1.00 0.00 N ATOM 0 H ARG B 14 -1.366 3.455 -3.885 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.908 5.043 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.024 4.811 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.705 6.404 -4.178 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.427 5.365 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.662 6.571 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.222 8.179 -2.329 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.329 6.959 -1.198 1.00 0.00 H new ATOM 0 HE ARG B 14 2.276 6.707 -0.638 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.544 8.796 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.358 10.242 -1.059 1.00 0.00 H new ATOM 0 HH21 ARG B 14 0.729 8.894 0.835 1.00 0.00 H new ATOM 0 HH22 ARG B 14 1.770 10.297 0.573 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.465 6.130 -3.316 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.621 7.092 -3.178 1.00 0.00 C ATOM 1154 C GLU B 15 -5.421 6.743 -1.910 1.00 0.00 C ATOM 1155 O GLU B 15 -5.775 7.617 -1.142 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.471 6.936 -4.438 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.766 7.611 -5.619 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.668 7.579 -6.856 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.624 8.340 -6.896 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.385 6.799 -7.747 1.00 0.00 O ATOM 0 H GLU B 15 -3.507 5.508 -4.123 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.289 8.125 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.631 5.879 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.453 7.383 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.520 8.642 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.826 7.102 -5.831 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.635 5.457 -1.655 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.336 5.011 -0.395 1.00 0.00 C ATOM 1169 C ILE B 16 -5.446 5.360 0.833 1.00 0.00 C ATOM 1170 O ILE B 16 -5.944 5.595 1.918 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.541 3.482 -0.562 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.580 3.237 -1.671 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.050 2.855 0.741 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.565 1.771 -2.116 1.00 0.00 C ATOM 0 H ILE B 16 -5.350 4.697 -2.273 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.294 5.504 -0.232 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.585 3.026 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.574 3.502 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.368 3.883 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.186 1.783 0.600 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.324 3.027 1.535 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -8.002 3.309 1.015 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.307 1.621 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.576 1.517 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.801 1.130 -1.266 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.134 5.418 0.640 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.169 5.776 1.745 1.00 0.00 C ATOM 1188 C VAL B 17 -3.284 7.260 2.131 1.00 0.00 C ATOM 1189 O VAL B 17 -3.086 7.607 3.282 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.752 5.488 1.167 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.651 6.214 1.954 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.474 3.999 1.217 1.00 0.00 C ATOM 0 H VAL B 17 -3.687 5.228 -0.257 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.377 5.201 2.647 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.741 5.852 0.140 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.321 5.985 1.516 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.823 7.290 1.912 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.668 5.884 2.993 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.482 3.800 0.812 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.520 3.655 2.250 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.220 3.469 0.625 1.00 0.00 H new ATOM 1202 N THR B 18 -3.535 8.148 1.183 1.00 0.00 N ATOM 1203 CA THR B 18 -3.576 9.602 1.536 1.00 0.00 C ATOM 1204 C THR B 18 -4.705 10.393 0.833 1.00 0.00 C ATOM 1205 O THR B 18 -4.508 11.557 0.508 1.00 0.00 O ATOM 1206 CB THR B 18 -2.165 10.117 1.148 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.980 11.447 1.631 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.963 10.085 -0.381 1.00 0.00 C ATOM 0 H THR B 18 -3.709 7.928 0.202 1.00 0.00 H new ATOM 0 HA THR B 18 -3.809 9.746 2.591 1.00 0.00 H new ATOM 0 HB THR B 18 -1.427 9.458 1.606 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.775 11.983 1.426 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.966 10.451 -0.624 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.072 9.062 -0.741 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.709 10.719 -0.860 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.896 9.826 0.626 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.986 10.659 -0.011 1.00 0.00 C ATOM 1218 C LEU B 19 -7.332 11.859 0.929 1.00 0.00 C ATOM 1219 O LEU B 19 -6.952 11.856 2.091 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.179 9.730 -0.306 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.578 8.904 0.912 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -10.084 8.990 1.063 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.166 7.439 0.706 1.00 0.00 C ATOM 0 H LEU B 19 -6.147 8.866 0.861 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.673 11.099 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -9.030 10.327 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.923 9.062 -1.128 1.00 0.00 H new ATOM 0 HG LEU B 19 -8.082 9.285 1.805 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.397 8.406 1.929 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.377 10.031 1.202 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.563 8.595 0.167 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.454 6.854 1.579 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.665 7.041 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.086 7.380 0.570 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.942 12.890 0.368 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.210 14.171 1.120 1.00 0.00 C ATOM 1237 C PRO B 20 -9.042 14.076 2.423 1.00 0.00 C ATOM 1238 O PRO B 20 -8.886 14.939 3.272 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.912 15.051 0.078 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.480 14.087 -0.906 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.472 12.975 -1.006 1.00 0.00 C ATOM 0 HA PRO B 20 -7.268 14.559 1.508 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.693 15.659 0.534 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.212 15.737 -0.398 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.448 13.711 -0.574 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.638 14.562 -1.874 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.933 12.039 -1.320 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.688 13.203 -1.728 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.922 13.107 2.606 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.737 13.091 3.888 1.00 0.00 C ATOM 1251 C ASN B 21 -10.659 11.761 4.668 1.00 0.00 C ATOM 1252 O ASN B 21 -11.476 11.536 5.548 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.190 13.317 3.454 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.397 14.674 2.770 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.657 15.616 2.982 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.403 14.811 1.956 1.00 0.00 N ATOM 0 H ASN B 21 -10.111 12.349 1.951 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.346 13.853 4.562 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.490 12.521 2.772 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.840 13.251 4.326 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.570 15.707 1.497 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -14.025 14.023 1.777 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.718 10.882 4.385 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.667 9.589 5.156 1.00 0.00 C ATOM 1265 C LEU B 22 -8.710 9.677 6.344 1.00 0.00 C ATOM 1266 O LEU B 22 -7.799 10.490 6.381 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.175 8.520 4.190 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.757 7.151 4.568 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -11.030 6.881 3.760 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.719 6.066 4.271 1.00 0.00 C ATOM 0 H LEU B 22 -8.999 10.998 3.671 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.655 9.358 5.554 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.467 8.778 3.172 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.086 8.477 4.208 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.005 7.144 5.629 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.436 5.907 4.035 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.767 7.655 3.973 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.794 6.888 2.696 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.126 5.091 4.537 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.473 6.079 3.209 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.818 6.255 4.855 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.911 8.805 7.298 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.025 8.752 8.515 1.00 0.00 C ATOM 1284 C ASN B 23 -7.101 7.515 8.450 1.00 0.00 C ATOM 1285 O ASN B 23 -7.360 6.576 7.717 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.968 8.723 9.742 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.864 7.467 9.768 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.945 6.733 8.809 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.554 7.197 10.841 1.00 0.00 N ATOM 0 H ASN B 23 -9.661 8.114 7.291 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.364 9.616 8.578 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.373 8.760 10.655 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.596 9.614 9.735 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.155 6.373 10.867 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.493 7.809 11.654 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.002 7.542 9.185 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.994 6.414 9.153 1.00 0.00 C ATOM 1298 C ASP B 24 -5.551 4.982 9.436 1.00 0.00 C ATOM 1299 O ASP B 24 -5.053 4.053 8.822 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.862 6.797 10.141 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.356 6.861 11.590 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.858 7.905 11.979 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.213 5.871 12.290 1.00 0.00 O ATOM 0 H ASP B 24 -5.757 8.307 9.814 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.637 6.321 8.127 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.055 6.069 10.066 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.446 7.764 9.858 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.525 4.801 10.334 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.030 3.417 10.605 1.00 0.00 C ATOM 1310 C PRO B 25 -7.857 2.848 9.428 1.00 0.00 C ATOM 1311 O PRO B 25 -7.744 1.671 9.122 1.00 0.00 O ATOM 1312 CB PRO B 25 -7.899 3.582 11.851 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.330 5.011 11.836 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.239 5.797 11.162 1.00 0.00 C ATOM 0 HA PRO B 25 -6.213 2.709 10.740 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -8.757 2.911 11.825 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.339 3.348 12.756 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.272 5.123 11.300 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.495 5.374 12.850 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.648 6.601 10.551 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.573 6.258 11.891 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.682 3.659 8.768 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.500 3.121 7.623 1.00 0.00 C ATOM 1324 C GLN B 26 -8.586 2.747 6.454 1.00 0.00 C ATOM 1325 O GLN B 26 -8.692 1.652 5.944 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.507 4.211 7.240 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.548 4.346 8.368 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.727 5.219 7.917 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.867 4.876 8.155 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.509 6.340 7.287 1.00 0.00 N ATOM 0 H GLN B 26 -8.817 4.649 8.974 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.033 2.212 7.903 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.994 5.160 7.084 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.999 3.957 6.301 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -11.909 3.359 8.656 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.081 4.784 9.250 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.553 6.634 7.084 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.294 6.923 6.997 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.665 3.620 6.058 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.709 3.267 4.939 1.00 0.00 C ATOM 1341 C LYS B 27 -5.898 2.027 5.304 1.00 0.00 C ATOM 1342 O LYS B 27 -5.605 1.217 4.455 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.748 4.440 4.693 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.209 5.079 5.983 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.604 6.446 5.645 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.707 7.435 5.228 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.253 8.772 5.713 1.00 0.00 N ATOM 0 H LYS B 27 -7.537 4.550 6.458 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.288 3.064 4.038 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.908 4.090 4.093 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.262 5.202 4.108 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.012 5.192 6.712 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.455 4.435 6.436 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.066 6.836 6.509 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.879 6.340 4.838 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.844 7.436 4.147 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.665 7.162 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -6.080 9.342 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.632 8.649 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.731 9.257 4.955 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.549 1.878 6.564 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.774 0.672 7.010 1.00 0.00 C ATOM 1363 C LYS B 28 -5.564 -0.594 6.643 1.00 0.00 C ATOM 1364 O LYS B 28 -5.105 -1.398 5.860 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.653 0.804 8.542 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.199 1.021 8.938 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.530 -0.332 9.167 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.059 -0.264 8.744 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.362 -1.348 9.502 1.00 0.00 N ATOM 0 H LYS B 28 -5.769 2.543 7.305 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.793 0.605 6.539 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.261 1.638 8.892 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.038 -0.095 9.023 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.675 1.571 8.156 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.143 1.625 9.844 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.603 -0.610 10.218 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.046 -1.104 8.597 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -0.955 -0.411 7.669 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.631 0.711 8.976 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.645 -1.109 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.791 -1.444 10.444 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.454 -2.247 8.987 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.771 -0.748 7.165 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.614 -1.945 6.804 1.00 0.00 C ATOM 1385 C ALA B 29 -7.915 -1.944 5.289 1.00 0.00 C ATOM 1386 O ALA B 29 -8.039 -2.987 4.676 1.00 0.00 O ATOM 1387 CB ALA B 29 -8.910 -1.791 7.609 1.00 0.00 C ATOM 0 H ALA B 29 -7.204 -0.099 7.822 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.109 -2.884 7.031 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.573 -2.629 7.395 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.677 -1.775 8.674 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.402 -0.859 7.331 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.016 -0.765 4.695 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.292 -0.637 3.222 1.00 0.00 C ATOM 1395 C PHE B 30 -7.142 -1.208 2.395 1.00 0.00 C ATOM 1396 O PHE B 30 -7.348 -2.046 1.546 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.395 0.872 2.968 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.747 1.204 2.428 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.027 0.936 1.094 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.715 1.771 3.260 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.285 1.235 0.584 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.975 2.071 2.750 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.263 1.805 1.411 1.00 0.00 C ATOM 0 H PHE B 30 -7.916 0.126 5.182 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.193 -1.181 2.940 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.219 1.419 3.895 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.625 1.185 2.263 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.272 0.498 0.457 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.487 1.976 4.296 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.510 1.028 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.728 2.509 3.389 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.239 2.038 1.012 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.939 -0.757 2.648 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.753 -1.273 1.900 1.00 0.00 C ATOM 1415 C ILE B 31 -4.584 -2.757 2.206 1.00 0.00 C ATOM 1416 O ILE B 31 -4.287 -3.540 1.330 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.564 -0.475 2.441 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.524 0.895 1.734 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.237 -1.247 2.234 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.096 1.312 1.481 1.00 0.00 C ATOM 0 H ILE B 31 -5.727 -0.046 3.348 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.849 -1.164 0.820 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.684 -0.326 3.514 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.067 0.841 0.790 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.025 1.643 2.348 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.408 -0.658 2.627 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.285 -2.201 2.759 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.082 -1.426 1.170 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.083 2.281 0.981 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.565 1.386 2.430 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.607 0.571 0.848 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.772 -3.138 3.453 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.633 -4.570 3.823 1.00 0.00 C ATOM 1434 C PHE B 32 -5.688 -5.392 3.042 1.00 0.00 C ATOM 1435 O PHE B 32 -5.386 -6.477 2.592 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.781 -4.625 5.360 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.430 -4.300 6.026 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.783 -3.038 5.824 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.791 -5.268 6.850 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.565 -2.784 6.429 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.567 -4.975 7.431 1.00 0.00 C ATOM 1442 CZ PHE B 32 -0.964 -3.753 7.226 1.00 0.00 C ATOM 0 H PHE B 32 -5.015 -2.513 4.222 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.672 -5.009 3.556 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.539 -3.913 5.687 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.119 -5.615 5.667 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.245 -2.287 5.201 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.257 -6.227 7.022 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.079 -1.831 6.282 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.080 -5.713 8.051 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.012 -3.545 7.691 1.00 0.00 H new ATOM 1452 N SER B 33 -6.888 -4.854 2.777 1.00 0.00 N ATOM 1453 CA SER B 33 -7.868 -5.615 1.920 1.00 0.00 C ATOM 1454 C SER B 33 -7.453 -5.459 0.431 1.00 0.00 C ATOM 1455 O SER B 33 -7.594 -6.379 -0.354 1.00 0.00 O ATOM 1456 CB SER B 33 -9.265 -5.027 2.201 1.00 0.00 C ATOM 1457 OG SER B 33 -9.381 -3.730 1.644 1.00 0.00 O ATOM 0 H SER B 33 -7.211 -3.947 3.113 1.00 0.00 H new ATOM 0 HA SER B 33 -7.880 -6.682 2.145 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.031 -5.679 1.781 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.438 -4.984 3.276 1.00 0.00 H new ATOM 0 HG SER B 33 -8.560 -3.224 1.819 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.883 -4.306 0.067 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.374 -4.065 -1.338 1.00 0.00 C ATOM 1465 C LEU B 34 -5.271 -5.095 -1.649 1.00 0.00 C ATOM 1466 O LEU B 34 -5.232 -5.666 -2.723 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.804 -2.624 -1.305 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.209 -2.211 -2.649 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.317 -1.802 -3.625 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.250 -1.025 -2.446 1.00 0.00 C ATOM 0 H LEU B 34 -6.751 -3.516 0.699 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.141 -4.170 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.596 -1.927 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.037 -2.555 -0.533 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.667 -3.060 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.874 -1.511 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.993 -2.643 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.874 -0.961 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.826 -0.731 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.796 -0.184 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.447 -1.318 -1.769 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.403 -5.344 -0.688 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.310 -6.352 -0.856 1.00 0.00 C ATOM 1484 C TRP B 35 -3.897 -7.779 -0.943 1.00 0.00 C ATOM 1485 O TRP B 35 -3.460 -8.578 -1.749 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.454 -6.222 0.394 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.216 -7.023 0.196 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.947 -8.208 0.780 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.089 -6.728 -0.664 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.279 -8.647 0.349 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.854 -7.762 -0.536 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.207 -5.664 -1.524 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.049 -7.738 -1.237 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.406 -5.639 -2.231 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.325 -6.667 -2.085 1.00 0.00 C ATOM 0 H TRP B 35 -4.411 -4.880 0.220 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.741 -6.181 -1.770 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.205 -5.177 0.577 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.001 -6.577 1.268 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.592 -8.727 1.474 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.712 -9.521 0.647 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.500 -4.856 -1.640 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.761 -8.543 -1.127 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.621 -4.816 -2.896 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.257 -6.638 -2.630 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.883 -8.094 -0.107 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.514 -9.462 -0.123 1.00 0.00 C ATOM 1508 C ASP B 36 -6.163 -9.715 -1.478 1.00 0.00 C ATOM 1509 O ASP B 36 -5.964 -10.758 -2.079 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.606 -9.458 0.971 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.019 -9.777 2.358 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.256 -10.726 2.467 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -6.363 -9.075 3.293 1.00 0.00 O ATOM 0 H ASP B 36 -5.273 -7.454 0.585 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.770 -10.238 0.055 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.093 -8.483 0.997 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.374 -10.191 0.723 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.932 -8.762 -1.962 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.600 -8.928 -3.273 1.00 0.00 C ATOM 1520 C ASP B 37 -7.561 -7.615 -4.073 1.00 0.00 C ATOM 1521 O ASP B 37 -8.524 -6.862 -4.071 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.044 -9.347 -2.948 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.103 -10.856 -2.686 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.172 -11.602 -3.649 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.079 -11.238 -1.527 1.00 0.00 O ATOM 0 H ASP B 37 -7.119 -7.876 -1.493 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.103 -9.674 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.402 -8.803 -2.074 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.703 -9.087 -3.777 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.450 -7.382 -4.766 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.324 -6.159 -5.606 1.00 0.00 C ATOM 1532 C PRO B 38 -7.256 -6.220 -6.835 1.00 0.00 C ATOM 1533 O PRO B 38 -7.345 -5.262 -7.568 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.868 -6.145 -6.023 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.446 -7.576 -5.962 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.224 -8.201 -4.832 1.00 0.00 C ATOM 0 HA PRO B 38 -6.613 -5.256 -5.068 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.747 -5.738 -7.027 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.270 -5.526 -5.354 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.654 -8.083 -6.904 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.373 -7.658 -5.787 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.451 -9.248 -5.031 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.668 -8.168 -3.895 1.00 0.00 H new ATOM 1544 N SER B 39 -7.985 -7.314 -7.050 1.00 0.00 N ATOM 1545 CA SER B 39 -8.955 -7.364 -8.202 1.00 0.00 C ATOM 1546 C SER B 39 -9.980 -6.233 -8.001 1.00 0.00 C ATOM 1547 O SER B 39 -10.414 -5.596 -8.944 1.00 0.00 O ATOM 1548 CB SER B 39 -9.636 -8.734 -8.116 1.00 0.00 C ATOM 1549 OG SER B 39 -9.782 -9.270 -9.425 1.00 0.00 O ATOM 0 H SER B 39 -7.945 -8.159 -6.481 1.00 0.00 H new ATOM 0 HA SER B 39 -8.478 -7.235 -9.174 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.044 -9.409 -7.498 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.611 -8.639 -7.639 1.00 0.00 H new ATOM 0 HG SER B 39 -10.216 -10.147 -9.373 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.313 -5.959 -6.746 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.255 -4.842 -6.403 1.00 0.00 C ATOM 1557 C GLN B 40 -10.456 -3.541 -6.145 1.00 0.00 C ATOM 1558 O GLN B 40 -10.968 -2.640 -5.526 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.962 -5.236 -5.087 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.274 -6.734 -5.022 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.533 -6.971 -4.181 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.437 -7.663 -4.607 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.636 -6.427 -2.997 1.00 0.00 N ATOM 0 H GLN B 40 -9.962 -6.475 -5.939 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.962 -4.678 -7.217 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.331 -4.961 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.888 -4.669 -4.991 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.419 -7.128 -6.028 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.430 -7.271 -4.588 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.880 -5.846 -2.635 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.472 -6.584 -2.435 1.00 0.00 H new ATOM 1572 N SER B 41 -9.200 -3.448 -6.579 1.00 0.00 N ATOM 1573 CA SER B 41 -8.373 -2.214 -6.313 1.00 0.00 C ATOM 1574 C SER B 41 -9.044 -0.943 -6.851 1.00 0.00 C ATOM 1575 O SER B 41 -9.050 0.074 -6.180 1.00 0.00 O ATOM 1576 CB SER B 41 -7.036 -2.443 -7.004 1.00 0.00 C ATOM 1577 OG SER B 41 -7.235 -2.710 -8.389 1.00 0.00 O ATOM 0 H SER B 41 -8.719 -4.178 -7.105 1.00 0.00 H new ATOM 0 HA SER B 41 -8.256 -2.061 -5.240 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.401 -1.565 -6.883 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.516 -3.279 -6.537 1.00 0.00 H new ATOM 0 HG SER B 41 -7.332 -3.676 -8.525 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.642 -1.001 -8.033 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.353 0.203 -8.579 1.00 0.00 C ATOM 1585 C ALA B 42 -11.530 0.524 -7.643 1.00 0.00 C ATOM 1586 O ALA B 42 -11.739 1.665 -7.266 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.850 -0.197 -9.974 1.00 0.00 C ATOM 0 H ALA B 42 -9.664 -1.826 -8.633 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.717 1.086 -8.644 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.379 0.642 -10.426 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.000 -0.469 -10.599 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.525 -1.048 -9.889 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.262 -0.503 -7.232 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.393 -0.316 -6.277 1.00 0.00 C ATOM 1595 C ASN B 43 -12.860 0.126 -4.898 1.00 0.00 C ATOM 1596 O ASN B 43 -13.512 0.882 -4.221 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.086 -1.685 -6.174 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.361 -1.558 -5.329 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.379 -1.948 -4.179 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.434 -1.024 -5.848 1.00 0.00 N ATOM 0 H ASN B 43 -12.112 -1.467 -7.528 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.084 0.456 -6.616 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.333 -2.054 -7.169 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.411 -2.412 -5.723 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.282 -0.936 -5.288 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.424 -0.695 -6.813 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.681 -0.342 -4.492 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.097 0.051 -3.159 1.00 0.00 C ATOM 1609 C LEU B 44 -10.737 1.531 -3.165 1.00 0.00 C ATOM 1610 O LEU B 44 -11.092 2.268 -2.272 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.840 -0.813 -3.007 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.164 -2.029 -2.144 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.460 -3.271 -2.710 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.689 -1.737 -0.713 1.00 0.00 C ATOM 0 H LEU B 44 -11.102 -0.982 -5.036 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.795 -0.103 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.484 -1.132 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -9.039 -0.232 -2.550 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.236 -2.224 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.695 -4.136 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.803 -3.451 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.382 -3.109 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.909 -2.593 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.614 -1.554 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.206 -0.857 -0.331 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.065 1.951 -4.198 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.688 3.390 -4.365 1.00 0.00 C ATOM 1628 C LEU B 45 -10.962 4.246 -4.324 1.00 0.00 C ATOM 1629 O LEU B 45 -11.026 5.241 -3.623 1.00 0.00 O ATOM 1630 CB LEU B 45 -9.005 3.459 -5.745 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.817 4.914 -6.194 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.259 5.751 -5.045 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.848 4.949 -7.376 1.00 0.00 C ATOM 0 H LEU B 45 -9.751 1.345 -4.956 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.027 3.762 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.037 2.960 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.606 2.923 -6.479 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.780 5.328 -6.493 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -8.130 6.782 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.953 5.723 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.296 5.346 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.709 5.980 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.888 4.531 -7.072 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.256 4.361 -8.198 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.981 3.821 -5.038 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.282 4.554 -5.019 1.00 0.00 C ATOM 1647 C ALA B 46 -13.883 4.460 -3.610 1.00 0.00 C ATOM 1648 O ALA B 46 -14.326 5.442 -3.061 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.163 3.815 -6.021 1.00 0.00 C ATOM 0 H ALA B 46 -11.963 2.994 -5.634 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.182 5.610 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.142 4.293 -6.067 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.698 3.845 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.280 2.778 -5.707 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.859 3.269 -3.023 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.389 3.063 -1.637 1.00 0.00 C ATOM 1657 C GLU B 47 -13.650 3.980 -0.651 1.00 0.00 C ATOM 1658 O GLU B 47 -14.235 4.478 0.292 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.120 1.580 -1.311 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.156 1.081 -0.293 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.546 1.017 -0.951 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.684 0.348 -1.968 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.452 1.642 -0.424 1.00 0.00 O ATOM 0 H GLU B 47 -13.487 2.426 -3.461 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.450 3.302 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.172 0.982 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.114 1.462 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.872 0.095 0.075 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.182 1.747 0.569 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.375 4.223 -0.895 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.574 5.134 -0.015 1.00 0.00 C ATOM 1672 C ALA B 48 -12.115 6.564 -0.162 1.00 0.00 C ATOM 1673 O ALA B 48 -12.411 7.220 0.817 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.121 5.030 -0.525 1.00 0.00 C ATOM 0 H ALA B 48 -11.855 3.822 -1.676 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.631 4.868 1.040 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.478 5.673 0.076 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.780 3.998 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.078 5.345 -1.567 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.275 7.025 -1.393 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.827 8.407 -1.652 1.00 0.00 C ATOM 1682 C LYS B 49 -14.280 8.511 -1.148 1.00 0.00 C ATOM 1683 O LYS B 49 -14.651 9.485 -0.532 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.780 8.585 -3.179 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.325 8.568 -3.670 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.284 8.781 -5.185 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.874 8.466 -5.711 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.611 9.458 -6.796 1.00 0.00 N ATOM 0 H LYS B 49 -12.044 6.497 -2.235 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.253 9.175 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.344 7.788 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.255 9.526 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.754 9.349 -3.169 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.857 7.617 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -12.017 8.139 -5.673 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.552 9.810 -5.425 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.133 8.551 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.818 7.446 -6.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.629 9.361 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.260 9.285 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.760 10.420 -6.430 1.00 0.00 H new ATOM 1702 N LYS B 50 -15.097 7.505 -1.400 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.531 7.532 -0.923 1.00 0.00 C ATOM 1704 C LYS B 50 -16.577 7.527 0.619 1.00 0.00 C ATOM 1705 O LYS B 50 -17.349 8.258 1.214 1.00 0.00 O ATOM 1706 CB LYS B 50 -17.193 6.275 -1.511 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.230 6.386 -3.048 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.920 5.160 -3.676 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.282 3.857 -3.166 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.826 2.769 -4.031 1.00 0.00 N ATOM 0 H LYS B 50 -14.834 6.665 -1.916 1.00 0.00 H new ATOM 0 HA LYS B 50 -17.055 8.432 -1.246 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.638 5.385 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -18.204 6.166 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.760 7.293 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.214 6.473 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -18.982 5.170 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -17.841 5.209 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -16.195 3.902 -3.233 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -17.530 3.684 -2.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.428 1.856 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -18.862 2.740 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.568 2.951 -5.022 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.726 6.739 1.262 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.678 6.716 2.770 1.00 0.00 C ATOM 1726 C LEU B 51 -15.162 8.068 3.292 1.00 0.00 C ATOM 1727 O LEU B 51 -15.653 8.574 4.288 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.729 5.559 3.136 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.449 5.517 4.652 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.759 5.596 5.459 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.730 4.205 4.983 1.00 0.00 C ATOM 0 H LEU B 51 -15.064 6.112 0.804 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.659 6.563 3.221 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -15.168 4.613 2.819 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.790 5.672 2.594 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.830 6.373 4.920 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.532 5.564 6.525 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.275 6.527 5.225 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.398 4.752 5.199 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.526 4.162 6.053 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.361 3.363 4.700 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.791 4.156 4.432 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.204 8.669 2.601 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.678 10.016 3.013 1.00 0.00 C ATOM 1745 C ASN B 52 -14.838 11.030 3.065 1.00 0.00 C ATOM 1746 O ASN B 52 -14.805 11.966 3.838 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.590 10.359 1.943 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.976 11.442 0.885 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -14.111 11.773 0.659 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.043 12.009 0.190 1.00 0.00 N ATOM 0 H ASN B 52 -13.766 8.278 1.767 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.239 10.036 4.011 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.692 10.694 2.463 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.329 9.442 1.414 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.284 12.705 -0.515 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.067 11.759 0.347 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.851 10.838 2.225 1.00 0.00 N ATOM 1758 CA ASP B 53 -17.005 11.775 2.183 1.00 0.00 C ATOM 1759 C ASP B 53 -17.802 11.740 3.494 1.00 0.00 C ATOM 1760 O ASP B 53 -18.342 12.747 3.921 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.888 11.308 1.024 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.704 12.495 0.499 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.162 13.263 -0.284 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.853 12.617 0.887 1.00 0.00 O ATOM 0 H ASP B 53 -15.911 10.060 1.568 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.662 12.801 2.049 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -17.272 10.894 0.226 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.555 10.512 1.357 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.881 10.577 4.130 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.645 10.451 5.418 1.00 0.00 C ATOM 1771 C ALA B 54 -17.992 11.304 6.520 1.00 0.00 C ATOM 1772 O ALA B 54 -18.674 11.890 7.344 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.576 8.961 5.766 1.00 0.00 C ATOM 0 H ALA B 54 -17.446 9.713 3.805 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.673 10.803 5.327 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.112 8.780 6.698 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -19.033 8.379 4.966 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.534 8.662 5.882 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.678 11.392 6.514 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.941 12.215 7.524 1.00 0.00 C ATOM 1781 C GLN B 55 -15.875 13.683 7.060 1.00 0.00 C ATOM 1782 O GLN B 55 -15.950 14.598 7.861 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.548 11.578 7.573 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.637 10.184 8.213 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.300 9.471 8.042 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.699 9.025 9.000 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.806 9.349 6.846 1.00 0.00 N ATOM 0 H GLN B 55 -16.079 10.918 5.838 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.418 12.228 8.504 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.138 11.501 6.566 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.869 12.209 8.146 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.884 10.271 9.271 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.434 9.606 7.746 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.313 9.724 6.044 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.912 8.878 6.709 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.727 13.900 5.761 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.642 15.289 5.196 1.00 0.00 C ATOM 1798 C ALA B 56 -16.137 15.291 3.735 1.00 0.00 C ATOM 1799 O ALA B 56 -15.945 14.324 3.043 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.154 15.610 5.245 1.00 0.00 C ATOM 0 H ALA B 56 -15.661 13.158 5.064 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.249 16.011 5.742 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.985 16.612 4.851 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.805 15.562 6.277 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.606 14.886 4.643 1.00 0.00 H new