USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 800 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN : amide:sc= 0 X(o=0.63,f=0.52) USER MOD Set 1.2: B 28 LYS NZ :NH3+ -142:sc= 0.627 (180deg=0.234) USER MOD Set 2.1: B 23 ASN : amide:sc= -4.84! C(o=-9.2!,f=-20!) USER MOD Set 2.2: B 26 GLN : amide:sc= -1.86 K(o=-9.2,f=-11!) USER MOD Set 2.3: B 55 GLN : amide:sc= -2.53 K(o=-9.2,f=-12!) USER MOD Set 3.1: A 28 ASN : amide:sc= -4.93! C(o=-4.9!,f=-11!) USER MOD Set 3.2: B 7 LYS NZ :NH3+ -169:sc= 0.0111 (180deg=0) USER MOD Set 3.3: B 10 SER OG : rot 60:sc= 0.00564 USER MOD Set 4.1: A 23 ASN : amide:sc= -0.727 K(o=-1.3,f=-9.5!) USER MOD Set 4.2: A 55 GLN : amide:sc= -0.584 K(o=-1.3,f=-6.9!) USER MOD Set 5.1: A 14 TYR OH : rot 180:sc= -1.04! USER MOD Set 5.2: A 18 HIS : no HD1:sc= -19.9! C(o=-21!,f=-26!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.9! C(o=-1.9!,f=-2.2!) USER MOD Single : A 10 GLN : amide:sc= -2.44 K(o=-2.4,f=-8.6!) USER MOD Single : A 21 ASN : amide:sc= -0.77 K(o=-0.77,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= -1.3 K(o=-1.3,f=-5.6!) USER MOD Single : A 32 GLN : amide:sc= -0.461 K(o=-0.46,f=-1.9) USER MOD Single : A 33 SER OG : rot 27:sc= -0.209 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0.354 (180deg=0.266) USER MOD Single : A 39 SER OG : rot -50:sc= 1.27 USER MOD Single : A 40 GLN : amide:sc= -0.615 X(o=-0.61,f=-0.95) USER MOD Single : A 41 SER OG : rot -97:sc= 0.671 USER MOD Single : A 43 ASN : amide:sc=-0.00171 X(o=-0.0017,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.759! C(o=-0.76!,f=-9.4!) USER MOD Single : B 6 ASN : amide:sc= -2.14! C(o=-2.1!,f=-8.9!) USER MOD Single : B 18 THR OG1 : rot -70:sc= 1.24 USER MOD Single : B 21 ASN : amide:sc= -1.83! C(o=-1.8!,f=-3!) USER MOD Single : B 27 LYS NZ :NH3+ -165:sc= 0.273 (180deg=0.126) USER MOD Single : B 33 SER OG : rot -20:sc= -0.0484 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -1.01 K(o=-1,f=-0.43) USER MOD Single : B 41 SER OG : rot 131:sc= -0.832 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 168:sc= 0.317 (180deg=0.226) USER MOD Single : B 50 LYS NZ :NH3+ 173:sc= 0.00218 (180deg=-0.0782) USER MOD Single : B 52 ASN : amide:sc= -4.78! C(o=-4.8!,f=-9.7!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 4.121 -14.068 6.597 1.00 0.00 N ATOM 68 CA PHE A 5 4.146 -13.368 5.263 1.00 0.00 C ATOM 69 C PHE A 5 2.742 -12.920 4.817 1.00 0.00 C ATOM 70 O PHE A 5 2.621 -11.935 4.113 1.00 0.00 O ATOM 71 CB PHE A 5 4.740 -14.375 4.255 1.00 0.00 C ATOM 72 CG PHE A 5 6.181 -14.745 4.610 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.957 -13.944 5.473 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.738 -15.906 4.061 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.272 -14.310 5.777 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.057 -16.268 4.369 1.00 0.00 C ATOM 77 CZ PHE A 5 8.821 -15.471 5.227 1.00 0.00 C ATOM 0 HA PHE A 5 4.744 -12.459 5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.127 -15.276 4.236 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.710 -13.948 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.535 -13.046 5.900 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.150 -16.524 3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.864 -13.694 6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.484 -17.164 3.943 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.836 -15.753 5.465 1.00 0.00 H new ATOM 87 N ASN A 6 1.687 -13.621 5.222 1.00 0.00 N ATOM 88 CA ASN A 6 0.291 -13.215 4.819 1.00 0.00 C ATOM 89 C ASN A 6 0.040 -11.735 5.167 1.00 0.00 C ATOM 90 O ASN A 6 -0.261 -10.946 4.288 1.00 0.00 O ATOM 91 CB ASN A 6 -0.661 -14.127 5.613 1.00 0.00 C ATOM 92 CG ASN A 6 -0.957 -15.402 4.808 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.068 -15.600 4.360 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.011 -16.283 4.604 1.00 0.00 N ATOM 0 H ASN A 6 1.738 -14.452 5.811 1.00 0.00 H new ATOM 0 HA ASN A 6 0.138 -13.320 3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.213 -14.388 6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.590 -13.599 5.828 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.209 -17.130 4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.924 -16.123 4.978 1.00 0.00 H new ATOM 101 N LYS A 7 0.202 -11.345 6.424 1.00 0.00 N ATOM 102 CA LYS A 7 0.007 -9.901 6.788 1.00 0.00 C ATOM 103 C LYS A 7 1.340 -9.121 6.761 1.00 0.00 C ATOM 104 O LYS A 7 1.315 -7.911 6.802 1.00 0.00 O ATOM 105 CB LYS A 7 -0.632 -9.862 8.177 1.00 0.00 C ATOM 106 CG LYS A 7 -1.068 -8.431 8.505 1.00 0.00 C ATOM 107 CD LYS A 7 -0.473 -7.973 9.839 1.00 0.00 C ATOM 108 CE LYS A 7 -1.134 -8.730 11.003 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.201 -8.576 12.160 1.00 0.00 N ATOM 0 H LYS A 7 0.457 -11.959 7.198 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.641 -9.416 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.492 -10.531 8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.078 -10.216 8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.749 -7.758 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.156 -8.379 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.603 -8.149 9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.621 -6.900 9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.116 -8.316 11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.281 -9.781 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.591 -9.069 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.724 -8.985 11.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.085 -7.566 12.381 1.00 0.00 H new ATOM 123 N GLU A 8 2.499 -9.770 6.641 1.00 0.00 N ATOM 124 CA GLU A 8 3.776 -8.976 6.546 1.00 0.00 C ATOM 125 C GLU A 8 3.770 -8.273 5.202 1.00 0.00 C ATOM 126 O GLU A 8 4.080 -7.110 5.118 1.00 0.00 O ATOM 127 CB GLU A 8 4.953 -9.946 6.634 1.00 0.00 C ATOM 128 CG GLU A 8 5.212 -10.336 8.092 1.00 0.00 C ATOM 129 CD GLU A 8 5.568 -9.093 8.926 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.558 -8.446 8.611 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.837 -8.807 9.859 1.00 0.00 O ATOM 0 H GLU A 8 2.606 -10.784 6.606 1.00 0.00 H new ATOM 0 HA GLU A 8 3.861 -8.244 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.743 -10.838 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.845 -9.486 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.328 -10.820 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.025 -11.060 8.142 1.00 0.00 H new ATOM 138 N GLN A 9 3.332 -8.965 4.164 1.00 0.00 N ATOM 139 CA GLN A 9 3.196 -8.324 2.826 1.00 0.00 C ATOM 140 C GLN A 9 2.121 -7.228 2.946 1.00 0.00 C ATOM 141 O GLN A 9 2.258 -6.165 2.401 1.00 0.00 O ATOM 142 CB GLN A 9 2.719 -9.413 1.864 1.00 0.00 C ATOM 143 CG GLN A 9 3.785 -10.484 1.638 1.00 0.00 C ATOM 144 CD GLN A 9 3.171 -11.611 0.803 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.674 -12.580 1.342 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.170 -11.525 -0.502 1.00 0.00 N ATOM 0 H GLN A 9 3.065 -9.949 4.198 1.00 0.00 H new ATOM 0 HA GLN A 9 4.130 -7.886 2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.817 -9.878 2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.451 -8.961 0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.647 -10.058 1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.142 -10.871 2.593 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.586 -10.714 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.753 -12.269 -1.062 1.00 0.00 H new ATOM 155 N GLN A 10 1.066 -7.499 3.709 1.00 0.00 N ATOM 156 CA GLN A 10 -0.029 -6.494 3.946 1.00 0.00 C ATOM 157 C GLN A 10 0.533 -5.274 4.694 1.00 0.00 C ATOM 158 O GLN A 10 0.266 -4.149 4.323 1.00 0.00 O ATOM 159 CB GLN A 10 -1.056 -7.243 4.809 1.00 0.00 C ATOM 160 CG GLN A 10 -2.465 -7.078 4.223 1.00 0.00 C ATOM 161 CD GLN A 10 -2.942 -8.371 3.542 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.446 -8.332 2.444 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.841 -9.519 4.164 1.00 0.00 N ATOM 0 H GLN A 10 0.923 -8.392 4.181 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.469 -6.119 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.797 -8.301 4.859 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.032 -6.860 5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.161 -6.804 5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.467 -6.262 3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.417 -9.561 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.186 -10.371 3.722 1.00 0.00 H new ATOM 172 N ASN A 11 1.323 -5.503 5.727 1.00 0.00 N ATOM 173 CA ASN A 11 1.934 -4.375 6.504 1.00 0.00 C ATOM 174 C ASN A 11 3.046 -3.711 5.687 1.00 0.00 C ATOM 175 O ASN A 11 3.118 -2.508 5.624 1.00 0.00 O ATOM 176 CB ASN A 11 2.524 -5.007 7.771 1.00 0.00 C ATOM 177 CG ASN A 11 2.777 -3.915 8.816 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.851 -3.428 9.436 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.997 -3.498 9.032 1.00 0.00 N ATOM 0 H ASN A 11 1.570 -6.434 6.064 1.00 0.00 H new ATOM 0 HA ASN A 11 1.196 -3.609 6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.839 -5.755 8.170 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.455 -5.521 7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.171 -2.765 9.720 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.775 -3.905 8.513 1.00 0.00 H new ATOM 186 N ALA A 12 3.898 -4.497 5.055 1.00 0.00 N ATOM 187 CA ALA A 12 5.002 -3.918 4.218 1.00 0.00 C ATOM 188 C ALA A 12 4.390 -3.137 3.060 1.00 0.00 C ATOM 189 O ALA A 12 4.794 -2.030 2.792 1.00 0.00 O ATOM 190 CB ALA A 12 5.807 -5.103 3.689 1.00 0.00 C ATOM 0 H ALA A 12 3.873 -5.516 5.085 1.00 0.00 H new ATOM 0 HA ALA A 12 5.637 -3.241 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.627 -4.739 3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.210 -5.672 4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.160 -5.745 3.092 1.00 0.00 H new ATOM 196 N PHE A 13 3.377 -3.696 2.415 1.00 0.00 N ATOM 197 CA PHE A 13 2.674 -2.977 1.304 1.00 0.00 C ATOM 198 C PHE A 13 2.128 -1.668 1.867 1.00 0.00 C ATOM 199 O PHE A 13 2.425 -0.598 1.374 1.00 0.00 O ATOM 200 CB PHE A 13 1.506 -3.901 0.891 1.00 0.00 C ATOM 201 CG PHE A 13 0.545 -3.163 0.008 1.00 0.00 C ATOM 202 CD1 PHE A 13 0.996 -2.590 -1.175 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.802 -3.086 0.357 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.103 -1.934 -2.011 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.701 -2.441 -0.480 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.250 -1.865 -1.661 1.00 0.00 C ATOM 0 H PHE A 13 3.011 -4.626 2.618 1.00 0.00 H new ATOM 0 HA PHE A 13 3.322 -2.756 0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.893 -4.776 0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.989 -4.264 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.040 -2.655 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.146 -3.529 1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.451 -1.479 -2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.747 -2.387 -0.215 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.948 -1.361 -2.313 1.00 0.00 H new ATOM 216 N TYR A 14 1.355 -1.788 2.925 1.00 0.00 N ATOM 217 CA TYR A 14 0.763 -0.607 3.608 1.00 0.00 C ATOM 218 C TYR A 14 1.846 0.429 3.937 1.00 0.00 C ATOM 219 O TYR A 14 1.749 1.572 3.542 1.00 0.00 O ATOM 220 CB TYR A 14 0.179 -1.210 4.883 1.00 0.00 C ATOM 221 CG TYR A 14 -0.455 -0.147 5.721 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.705 0.352 5.369 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.200 0.320 6.861 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.302 1.312 6.148 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.393 1.301 7.648 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.646 1.803 7.296 1.00 0.00 C ATOM 227 OH TYR A 14 -2.236 2.792 8.066 1.00 0.00 O ATOM 0 H TYR A 14 1.109 -2.683 3.348 1.00 0.00 H new ATOM 0 HA TYR A 14 0.024 -0.081 3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.560 -1.970 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.965 -1.708 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.205 -0.015 4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.166 -0.080 7.132 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.277 1.692 5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.114 1.672 8.527 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.650 3.013 8.819 1.00 0.00 H new ATOM 237 N GLU A 15 2.885 0.018 4.633 1.00 0.00 N ATOM 238 CA GLU A 15 3.995 0.956 4.991 1.00 0.00 C ATOM 239 C GLU A 15 4.664 1.508 3.721 1.00 0.00 C ATOM 240 O GLU A 15 4.896 2.692 3.643 1.00 0.00 O ATOM 241 CB GLU A 15 4.976 0.137 5.836 1.00 0.00 C ATOM 242 CG GLU A 15 4.356 -0.214 7.207 1.00 0.00 C ATOM 243 CD GLU A 15 4.045 1.066 8.000 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.971 1.821 8.265 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.892 1.260 8.341 1.00 0.00 O ATOM 0 H GLU A 15 3.009 -0.937 4.970 1.00 0.00 H new ATOM 0 HA GLU A 15 3.635 1.822 5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.243 -0.778 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.897 0.701 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.442 -0.791 7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.043 -0.842 7.774 1.00 0.00 H new ATOM 252 N ILE A 16 4.923 0.678 2.708 1.00 0.00 N ATOM 253 CA ILE A 16 5.527 1.204 1.417 1.00 0.00 C ATOM 254 C ILE A 16 4.665 2.377 0.904 1.00 0.00 C ATOM 255 O ILE A 16 5.175 3.420 0.533 1.00 0.00 O ATOM 256 CB ILE A 16 5.532 -0.003 0.433 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.889 -0.708 0.553 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.312 0.433 -1.028 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.696 -2.216 0.568 1.00 0.00 C ATOM 0 H ILE A 16 4.744 -0.326 2.722 1.00 0.00 H new ATOM 0 HA ILE A 16 6.540 1.588 1.539 1.00 0.00 H new ATOM 0 HB ILE A 16 4.711 -0.669 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.530 -0.424 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.394 -0.389 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.324 -0.444 -1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.349 0.936 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.107 1.116 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.666 -2.706 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.073 -2.495 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.211 -2.530 -0.356 1.00 0.00 H new ATOM 271 N LEU A 17 3.361 2.199 0.920 1.00 0.00 N ATOM 272 CA LEU A 17 2.416 3.287 0.473 1.00 0.00 C ATOM 273 C LEU A 17 2.406 4.470 1.466 1.00 0.00 C ATOM 274 O LEU A 17 2.344 5.617 1.060 1.00 0.00 O ATOM 275 CB LEU A 17 1.023 2.643 0.451 1.00 0.00 C ATOM 276 CG LEU A 17 0.992 1.480 -0.535 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.178 0.353 0.030 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.289 1.866 -1.800 1.00 0.00 C ATOM 0 H LEU A 17 2.904 1.340 1.226 1.00 0.00 H new ATOM 0 HA LEU A 17 2.718 3.680 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.763 2.290 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.276 3.386 0.171 1.00 0.00 H new ATOM 0 HG LEU A 17 2.028 1.198 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.160 -0.474 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.622 0.018 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.840 0.696 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.281 1.018 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.736 2.158 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.810 2.703 -2.265 1.00 0.00 H new ATOM 290 N HIS A 18 2.443 4.195 2.766 1.00 0.00 N ATOM 291 CA HIS A 18 2.404 5.301 3.795 1.00 0.00 C ATOM 292 C HIS A 18 3.754 6.051 3.919 1.00 0.00 C ATOM 293 O HIS A 18 3.767 7.182 4.372 1.00 0.00 O ATOM 294 CB HIS A 18 2.077 4.640 5.147 1.00 0.00 C ATOM 295 CG HIS A 18 0.606 4.360 5.255 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.339 5.338 5.583 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.118 3.226 5.048 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.547 4.735 5.541 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.448 3.496 5.214 1.00 0.00 N ATOM 0 H HIS A 18 2.498 3.253 3.153 1.00 0.00 H new ATOM 0 HA HIS A 18 1.659 6.037 3.494 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.638 3.711 5.249 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.390 5.293 5.962 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.295 2.261 4.792 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.481 5.233 5.756 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.218 2.837 5.100 1.00 0.00 H new ATOM 307 N LEU A 19 4.883 5.433 3.559 1.00 0.00 N ATOM 308 CA LEU A 19 6.223 6.127 3.699 1.00 0.00 C ATOM 309 C LEU A 19 6.190 7.494 2.976 1.00 0.00 C ATOM 310 O LEU A 19 5.920 7.553 1.786 1.00 0.00 O ATOM 311 CB LEU A 19 7.277 5.203 3.055 1.00 0.00 C ATOM 312 CG LEU A 19 7.632 4.017 3.978 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.484 3.016 3.194 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.424 4.491 5.215 1.00 0.00 C ATOM 0 H LEU A 19 4.927 4.488 3.179 1.00 0.00 H new ATOM 0 HA LEU A 19 6.461 6.313 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.899 4.825 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.178 5.776 2.834 1.00 0.00 H new ATOM 0 HG LEU A 19 6.706 3.553 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.740 2.174 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.922 2.656 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.397 3.504 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.660 3.634 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.349 4.970 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.824 5.204 5.780 1.00 0.00 H new ATOM 326 N PRO A 20 6.437 8.555 3.734 1.00 0.00 N ATOM 327 CA PRO A 20 6.399 9.947 3.179 1.00 0.00 C ATOM 328 C PRO A 20 7.490 10.239 2.125 1.00 0.00 C ATOM 329 O PRO A 20 7.373 11.216 1.402 1.00 0.00 O ATOM 330 CB PRO A 20 6.597 10.830 4.415 1.00 0.00 C ATOM 331 CG PRO A 20 7.302 9.958 5.396 1.00 0.00 C ATOM 332 CD PRO A 20 6.771 8.571 5.173 1.00 0.00 C ATOM 0 HA PRO A 20 5.466 10.124 2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.186 11.716 4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.642 11.178 4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.381 9.992 5.244 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.114 10.288 6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.514 7.813 5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.895 8.373 5.790 1.00 0.00 H new ATOM 340 N ASN A 21 8.541 9.437 2.017 1.00 0.00 N ATOM 341 CA ASN A 21 9.602 9.734 0.997 1.00 0.00 C ATOM 342 C ASN A 21 9.649 8.661 -0.110 1.00 0.00 C ATOM 343 O ASN A 21 10.530 8.699 -0.955 1.00 0.00 O ATOM 344 CB ASN A 21 10.912 9.799 1.790 1.00 0.00 C ATOM 345 CG ASN A 21 10.872 11.001 2.745 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.875 12.136 2.311 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.821 10.801 4.035 1.00 0.00 N ATOM 0 H ASN A 21 8.702 8.605 2.584 1.00 0.00 H new ATOM 0 HA ASN A 21 9.406 10.668 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.054 8.877 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.758 9.890 1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.784 11.596 4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.818 9.850 4.404 1.00 0.00 H new ATOM 354 N LEU A 22 8.693 7.738 -0.153 1.00 0.00 N ATOM 355 CA LEU A 22 8.687 6.722 -1.252 1.00 0.00 C ATOM 356 C LEU A 22 7.943 7.292 -2.456 1.00 0.00 C ATOM 357 O LEU A 22 6.942 7.977 -2.318 1.00 0.00 O ATOM 358 CB LEU A 22 7.970 5.456 -0.724 1.00 0.00 C ATOM 359 CG LEU A 22 8.926 4.530 0.070 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.465 3.079 -0.073 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.354 4.623 -0.458 1.00 0.00 C ATOM 0 H LEU A 22 7.932 7.655 0.521 1.00 0.00 H new ATOM 0 HA LEU A 22 9.702 6.471 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.139 5.752 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.546 4.904 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 22 8.906 4.848 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.137 2.427 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.453 2.978 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.476 2.796 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.999 3.962 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.374 4.325 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.710 5.649 -0.366 1.00 0.00 H new ATOM 373 N ASN A 23 8.431 7.004 -3.633 1.00 0.00 N ATOM 374 CA ASN A 23 7.774 7.508 -4.885 1.00 0.00 C ATOM 375 C ASN A 23 7.212 6.341 -5.691 1.00 0.00 C ATOM 376 O ASN A 23 7.205 5.214 -5.237 1.00 0.00 O ATOM 377 CB ASN A 23 8.855 8.274 -5.685 1.00 0.00 C ATOM 378 CG ASN A 23 10.161 7.467 -5.783 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.248 6.530 -6.544 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.180 7.793 -5.033 1.00 0.00 N ATOM 0 H ASN A 23 9.264 6.436 -3.787 1.00 0.00 H new ATOM 0 HA ASN A 23 6.938 8.168 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.483 8.490 -6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.053 9.232 -5.205 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.047 7.258 -5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.109 8.582 -4.391 1.00 0.00 H new ATOM 387 N GLU A 24 6.736 6.606 -6.879 1.00 0.00 N ATOM 388 CA GLU A 24 6.160 5.513 -7.734 1.00 0.00 C ATOM 389 C GLU A 24 7.239 4.482 -8.097 1.00 0.00 C ATOM 390 O GLU A 24 6.970 3.305 -8.116 1.00 0.00 O ATOM 391 CB GLU A 24 5.622 6.200 -9.001 1.00 0.00 C ATOM 392 CG GLU A 24 4.247 6.837 -8.725 1.00 0.00 C ATOM 393 CD GLU A 24 4.410 8.200 -8.036 1.00 0.00 C ATOM 394 OE1 GLU A 24 4.922 9.110 -8.670 1.00 0.00 O ATOM 395 OE2 GLU A 24 4.022 8.310 -6.885 1.00 0.00 O ATOM 0 H GLU A 24 6.719 7.535 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 24 5.372 4.975 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.324 6.965 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.537 5.473 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.703 6.960 -9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.653 6.174 -8.096 1.00 0.00 H new ATOM 402 N GLU A 25 8.457 4.902 -8.362 1.00 0.00 N ATOM 403 CA GLU A 25 9.526 3.904 -8.701 1.00 0.00 C ATOM 404 C GLU A 25 9.800 2.988 -7.493 1.00 0.00 C ATOM 405 O GLU A 25 9.840 1.778 -7.633 1.00 0.00 O ATOM 406 CB GLU A 25 10.773 4.725 -9.070 1.00 0.00 C ATOM 407 CG GLU A 25 11.911 3.792 -9.522 1.00 0.00 C ATOM 408 CD GLU A 25 11.516 3.059 -10.814 1.00 0.00 C ATOM 409 OE1 GLU A 25 11.483 3.699 -11.853 1.00 0.00 O ATOM 410 OE2 GLU A 25 11.252 1.870 -10.737 1.00 0.00 O ATOM 0 H GLU A 25 8.754 5.878 -8.359 1.00 0.00 H new ATOM 0 HA GLU A 25 9.230 3.257 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.531 5.428 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.096 5.315 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.821 4.370 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.131 3.068 -8.737 1.00 0.00 H new ATOM 417 N GLN A 26 9.974 3.558 -6.316 1.00 0.00 N ATOM 418 CA GLN A 26 10.253 2.718 -5.096 1.00 0.00 C ATOM 419 C GLN A 26 8.987 2.014 -4.588 1.00 0.00 C ATOM 420 O GLN A 26 8.978 0.809 -4.448 1.00 0.00 O ATOM 421 CB GLN A 26 10.802 3.681 -4.024 1.00 0.00 C ATOM 422 CG GLN A 26 12.084 4.389 -4.513 1.00 0.00 C ATOM 423 CD GLN A 26 13.064 3.393 -5.164 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.337 2.338 -4.631 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.605 3.688 -6.313 1.00 0.00 N ATOM 0 H GLN A 26 9.935 4.563 -6.148 1.00 0.00 H new ATOM 0 HA GLN A 26 10.967 1.929 -5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.044 4.425 -3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.015 3.128 -3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.821 5.165 -5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.571 4.884 -3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.382 4.572 -6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.251 3.034 -6.755 1.00 0.00 H new ATOM 434 N ARG A 27 7.932 2.753 -4.305 1.00 0.00 N ATOM 435 CA ARG A 27 6.667 2.127 -3.776 1.00 0.00 C ATOM 436 C ARG A 27 6.052 1.098 -4.752 1.00 0.00 C ATOM 437 O ARG A 27 5.689 0.012 -4.341 1.00 0.00 O ATOM 438 CB ARG A 27 5.675 3.289 -3.595 1.00 0.00 C ATOM 439 CG ARG A 27 4.318 2.761 -3.120 1.00 0.00 C ATOM 440 CD ARG A 27 3.262 3.855 -3.261 1.00 0.00 C ATOM 441 NE ARG A 27 3.050 4.002 -4.738 1.00 0.00 N ATOM 442 CZ ARG A 27 3.144 5.178 -5.321 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.139 5.987 -5.042 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.235 5.540 -6.196 1.00 0.00 N ATOM 0 H ARG A 27 7.892 3.766 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 27 6.884 1.588 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.069 4.003 -2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.555 3.824 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.031 1.888 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.386 2.439 -2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.337 3.578 -2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.601 4.790 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 27 2.830 3.179 -5.299 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.850 5.707 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.201 6.896 -5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.463 4.912 -6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.300 6.450 -6.653 1.00 0.00 H new ATOM 458 N ASN A 28 5.899 1.442 -6.027 1.00 0.00 N ATOM 459 CA ASN A 28 5.261 0.478 -7.003 1.00 0.00 C ATOM 460 C ASN A 28 6.162 -0.742 -7.194 1.00 0.00 C ATOM 461 O ASN A 28 5.686 -1.862 -7.192 1.00 0.00 O ATOM 462 CB ASN A 28 5.083 1.211 -8.345 1.00 0.00 C ATOM 463 CG ASN A 28 4.290 2.526 -8.199 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.756 2.833 -7.153 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.191 3.323 -9.229 1.00 0.00 N ATOM 0 H ASN A 28 6.185 2.336 -6.426 1.00 0.00 H new ATOM 0 HA ASN A 28 4.297 0.139 -6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.063 1.427 -8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.568 0.556 -9.048 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.668 4.195 -9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.637 3.073 -10.112 1.00 0.00 H new ATOM 472 N ALA A 29 7.469 -0.533 -7.316 1.00 0.00 N ATOM 473 CA ALA A 29 8.411 -1.695 -7.461 1.00 0.00 C ATOM 474 C ALA A 29 8.321 -2.579 -6.220 1.00 0.00 C ATOM 475 O ALA A 29 8.365 -3.788 -6.315 1.00 0.00 O ATOM 476 CB ALA A 29 9.795 -1.089 -7.538 1.00 0.00 C ATOM 0 H ALA A 29 7.912 0.386 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 29 8.177 -2.301 -8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.534 -1.883 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.853 -0.421 -8.398 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.997 -0.526 -6.627 1.00 0.00 H new ATOM 482 N PHE A 30 8.170 -1.966 -5.060 1.00 0.00 N ATOM 483 CA PHE A 30 8.039 -2.742 -3.792 1.00 0.00 C ATOM 484 C PHE A 30 6.803 -3.588 -3.833 1.00 0.00 C ATOM 485 O PHE A 30 6.851 -4.746 -3.529 1.00 0.00 O ATOM 486 CB PHE A 30 7.930 -1.709 -2.678 1.00 0.00 C ATOM 487 CG PHE A 30 9.312 -1.224 -2.307 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.442 -2.027 -2.553 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.465 0.021 -1.707 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.694 -1.586 -2.202 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.730 0.457 -1.347 1.00 0.00 C ATOM 492 CZ PHE A 30 11.845 -0.359 -1.596 1.00 0.00 C ATOM 0 H PHE A 30 8.133 -0.953 -4.946 1.00 0.00 H new ATOM 0 HA PHE A 30 8.889 -3.408 -3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.314 -0.871 -3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.440 -2.146 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.324 -2.994 -3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.603 0.645 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.559 -2.201 -2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.858 1.421 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.830 -0.021 -1.310 1.00 0.00 H new ATOM 502 N ILE A 31 5.712 -3.019 -4.248 1.00 0.00 N ATOM 503 CA ILE A 31 4.449 -3.792 -4.364 1.00 0.00 C ATOM 504 C ILE A 31 4.639 -4.914 -5.406 1.00 0.00 C ATOM 505 O ILE A 31 4.042 -5.957 -5.278 1.00 0.00 O ATOM 506 CB ILE A 31 3.404 -2.751 -4.748 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.277 -1.766 -3.580 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.073 -3.419 -4.998 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.555 -0.509 -4.018 1.00 0.00 C ATOM 0 H ILE A 31 5.640 -2.037 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 31 4.140 -4.303 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 31 3.703 -2.232 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.735 -2.235 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.268 -1.510 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.334 -2.666 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.174 -4.140 -5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.749 -3.934 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.475 0.177 -3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.113 -0.031 -4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.557 -0.767 -4.372 1.00 0.00 H new ATOM 521 N GLN A 32 5.520 -4.736 -6.391 1.00 0.00 N ATOM 522 CA GLN A 32 5.786 -5.844 -7.371 1.00 0.00 C ATOM 523 C GLN A 32 6.640 -6.924 -6.668 1.00 0.00 C ATOM 524 O GLN A 32 6.256 -8.074 -6.619 1.00 0.00 O ATOM 525 CB GLN A 32 6.531 -5.198 -8.551 1.00 0.00 C ATOM 526 CG GLN A 32 5.566 -4.300 -9.335 1.00 0.00 C ATOM 527 CD GLN A 32 6.321 -3.561 -10.443 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.808 -2.467 -10.235 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.438 -4.110 -11.623 1.00 0.00 N ATOM 0 H GLN A 32 6.053 -3.881 -6.548 1.00 0.00 H new ATOM 0 HA GLN A 32 4.878 -6.328 -7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.374 -4.612 -8.186 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.938 -5.970 -9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.767 -4.902 -9.767 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.097 -3.582 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.031 -5.028 -11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.937 -3.621 -12.366 1.00 0.00 H new ATOM 538 N SER A 33 7.758 -6.539 -6.063 1.00 0.00 N ATOM 539 CA SER A 33 8.619 -7.523 -5.293 1.00 0.00 C ATOM 540 C SER A 33 7.846 -8.110 -4.087 1.00 0.00 C ATOM 541 O SER A 33 8.110 -9.212 -3.653 1.00 0.00 O ATOM 542 CB SER A 33 9.852 -6.728 -4.821 1.00 0.00 C ATOM 543 OG SER A 33 9.463 -5.455 -4.316 1.00 0.00 O ATOM 0 H SER A 33 8.111 -5.582 -6.070 1.00 0.00 H new ATOM 0 HA SER A 33 8.907 -8.370 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.378 -7.287 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.548 -6.599 -5.650 1.00 0.00 H new ATOM 0 HG SER A 33 8.542 -5.502 -3.984 1.00 0.00 H new ATOM 549 N LEU A 34 6.904 -7.361 -3.555 1.00 0.00 N ATOM 550 CA LEU A 34 6.087 -7.808 -2.380 1.00 0.00 C ATOM 551 C LEU A 34 4.935 -8.733 -2.839 1.00 0.00 C ATOM 552 O LEU A 34 4.735 -9.788 -2.265 1.00 0.00 O ATOM 553 CB LEU A 34 5.576 -6.478 -1.795 1.00 0.00 C ATOM 554 CG LEU A 34 4.860 -6.666 -0.463 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.859 -6.990 0.625 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.163 -5.364 -0.100 1.00 0.00 C ATOM 0 H LEU A 34 6.663 -6.431 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 34 6.642 -8.396 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.416 -5.797 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.897 -6.008 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 34 4.143 -7.482 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.336 -7.122 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.388 -7.909 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.575 -6.173 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.645 -5.482 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.902 -4.567 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.442 -5.109 -0.876 1.00 0.00 H new ATOM 568 N LYS A 35 4.188 -8.349 -3.872 1.00 0.00 N ATOM 569 CA LYS A 35 3.057 -9.216 -4.375 1.00 0.00 C ATOM 570 C LYS A 35 3.626 -10.505 -5.007 1.00 0.00 C ATOM 571 O LYS A 35 3.041 -11.566 -4.870 1.00 0.00 O ATOM 572 CB LYS A 35 2.260 -8.365 -5.406 1.00 0.00 C ATOM 573 CG LYS A 35 1.135 -7.604 -4.714 1.00 0.00 C ATOM 574 CD LYS A 35 -0.170 -7.782 -5.495 1.00 0.00 C ATOM 575 CE LYS A 35 -1.360 -7.702 -4.526 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.769 -9.114 -4.267 1.00 0.00 N ATOM 0 H LYS A 35 4.317 -7.475 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 35 2.396 -9.529 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.930 -7.663 -5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.847 -9.013 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.011 -7.968 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.387 -6.546 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.257 -7.010 -6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.170 -8.743 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.077 -7.201 -3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.180 -7.131 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.484 -9.135 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.169 -9.524 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.939 -9.667 -3.973 1.00 0.00 H new ATOM 590 N ASP A 36 4.770 -10.425 -5.673 1.00 0.00 N ATOM 591 CA ASP A 36 5.393 -11.650 -6.287 1.00 0.00 C ATOM 592 C ASP A 36 6.186 -12.464 -5.237 1.00 0.00 C ATOM 593 O ASP A 36 6.137 -13.681 -5.245 1.00 0.00 O ATOM 594 CB ASP A 36 6.330 -11.149 -7.406 1.00 0.00 C ATOM 595 CG ASP A 36 5.515 -10.635 -8.609 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.795 -11.423 -9.197 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.629 -9.465 -8.924 1.00 0.00 O ATOM 0 H ASP A 36 5.295 -9.562 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 36 4.625 -12.316 -6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.967 -10.351 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.988 -11.957 -7.725 1.00 0.00 H new ATOM 602 N ASP A 37 6.918 -11.805 -4.341 1.00 0.00 N ATOM 603 CA ASP A 37 7.715 -12.549 -3.299 1.00 0.00 C ATOM 604 C ASP A 37 7.201 -12.241 -1.872 1.00 0.00 C ATOM 605 O ASP A 37 7.418 -11.152 -1.362 1.00 0.00 O ATOM 606 CB ASP A 37 9.167 -12.073 -3.463 1.00 0.00 C ATOM 607 CG ASP A 37 10.121 -13.122 -2.877 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.216 -13.201 -1.661 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.736 -13.834 -3.653 1.00 0.00 O ATOM 0 H ASP A 37 6.993 -10.789 -4.293 1.00 0.00 H new ATOM 0 HA ASP A 37 7.624 -13.627 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.391 -11.912 -4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.306 -11.117 -2.958 1.00 0.00 H new ATOM 614 N PRO A 38 6.535 -13.218 -1.273 1.00 0.00 N ATOM 615 CA PRO A 38 5.988 -13.056 0.111 1.00 0.00 C ATOM 616 C PRO A 38 7.096 -13.012 1.188 1.00 0.00 C ATOM 617 O PRO A 38 6.986 -12.271 2.149 1.00 0.00 O ATOM 618 CB PRO A 38 5.115 -14.300 0.291 1.00 0.00 C ATOM 619 CG PRO A 38 5.695 -15.312 -0.635 1.00 0.00 C ATOM 620 CD PRO A 38 6.213 -14.552 -1.817 1.00 0.00 C ATOM 0 HA PRO A 38 5.449 -12.116 0.227 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.135 -14.651 1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.074 -14.091 0.046 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.496 -15.869 -0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.941 -16.038 -0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.094 -15.031 -2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.467 -14.490 -2.609 1.00 0.00 H new ATOM 628 N SER A 39 8.141 -13.809 1.046 1.00 0.00 N ATOM 629 CA SER A 39 9.251 -13.835 2.073 1.00 0.00 C ATOM 630 C SER A 39 10.015 -12.501 2.142 1.00 0.00 C ATOM 631 O SER A 39 10.407 -12.074 3.214 1.00 0.00 O ATOM 632 CB SER A 39 10.196 -14.961 1.636 1.00 0.00 C ATOM 633 OG SER A 39 9.483 -16.193 1.585 1.00 0.00 O ATOM 0 H SER A 39 8.274 -14.445 0.260 1.00 0.00 H new ATOM 0 HA SER A 39 8.840 -13.997 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.620 -14.734 0.658 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.030 -15.041 2.334 1.00 0.00 H new ATOM 0 HG SER A 39 8.992 -16.322 2.423 1.00 0.00 H new ATOM 639 N GLN A 40 10.226 -11.845 1.018 1.00 0.00 N ATOM 640 CA GLN A 40 10.969 -10.537 1.020 1.00 0.00 C ATOM 641 C GLN A 40 10.110 -9.387 1.589 1.00 0.00 C ATOM 642 O GLN A 40 10.616 -8.308 1.771 1.00 0.00 O ATOM 643 CB GLN A 40 11.293 -10.253 -0.458 1.00 0.00 C ATOM 644 CG GLN A 40 12.410 -9.202 -0.562 1.00 0.00 C ATOM 645 CD GLN A 40 12.539 -8.685 -2.009 1.00 0.00 C ATOM 646 OE1 GLN A 40 11.974 -9.242 -2.933 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.265 -7.624 -2.242 1.00 0.00 N ATOM 0 H GLN A 40 9.915 -12.160 0.099 1.00 0.00 H new ATOM 0 HA GLN A 40 11.858 -10.600 1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.602 -11.173 -0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.400 -9.898 -0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.197 -8.370 0.109 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.356 -9.637 -0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.741 -7.153 -1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.356 -7.267 -3.193 1.00 0.00 H new ATOM 656 N SER A 41 8.820 -9.590 1.818 1.00 0.00 N ATOM 657 CA SER A 41 7.925 -8.474 2.306 1.00 0.00 C ATOM 658 C SER A 41 8.499 -7.654 3.476 1.00 0.00 C ATOM 659 O SER A 41 8.564 -6.444 3.367 1.00 0.00 O ATOM 660 CB SER A 41 6.600 -9.140 2.705 1.00 0.00 C ATOM 661 OG SER A 41 6.796 -10.003 3.822 1.00 0.00 O ATOM 0 H SER A 41 8.349 -10.485 1.687 1.00 0.00 H new ATOM 0 HA SER A 41 7.808 -7.741 1.508 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.862 -8.377 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.203 -9.708 1.864 1.00 0.00 H new ATOM 0 HG SER A 41 6.914 -10.924 3.507 1.00 0.00 H new ATOM 667 N ALA A 42 8.916 -8.257 4.576 1.00 0.00 N ATOM 668 CA ALA A 42 9.488 -7.415 5.692 1.00 0.00 C ATOM 669 C ALA A 42 10.715 -6.657 5.185 1.00 0.00 C ATOM 670 O ALA A 42 10.827 -5.463 5.380 1.00 0.00 O ATOM 671 CB ALA A 42 9.934 -8.363 6.768 1.00 0.00 C ATOM 0 H ALA A 42 8.888 -9.262 4.747 1.00 0.00 H new ATOM 0 HA ALA A 42 8.747 -6.703 6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.356 -7.798 7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.080 -8.942 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.690 -9.038 6.367 1.00 0.00 H new ATOM 677 N ASN A 43 11.611 -7.352 4.499 1.00 0.00 N ATOM 678 CA ASN A 43 12.820 -6.689 3.912 1.00 0.00 C ATOM 679 C ASN A 43 12.371 -5.579 2.978 1.00 0.00 C ATOM 680 O ASN A 43 12.992 -4.556 2.915 1.00 0.00 O ATOM 681 CB ASN A 43 13.538 -7.748 3.081 1.00 0.00 C ATOM 682 CG ASN A 43 14.798 -8.235 3.806 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.868 -8.250 3.233 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.721 -8.638 5.049 1.00 0.00 N ATOM 0 H ASN A 43 11.548 -8.355 4.325 1.00 0.00 H new ATOM 0 HA ASN A 43 13.461 -6.277 4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.869 -8.589 2.896 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.807 -7.335 2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.558 -8.963 5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.824 -8.627 5.534 1.00 0.00 H new ATOM 691 N LEU A 44 11.282 -5.799 2.262 1.00 0.00 N ATOM 692 CA LEU A 44 10.744 -4.765 1.328 1.00 0.00 C ATOM 693 C LEU A 44 10.299 -3.564 2.093 1.00 0.00 C ATOM 694 O LEU A 44 10.590 -2.454 1.701 1.00 0.00 O ATOM 695 CB LEU A 44 9.580 -5.403 0.605 1.00 0.00 C ATOM 696 CG LEU A 44 10.155 -6.313 -0.448 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.017 -7.077 -1.092 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.916 -5.446 -1.456 1.00 0.00 C ATOM 0 H LEU A 44 10.743 -6.665 2.292 1.00 0.00 H new ATOM 0 HA LEU A 44 11.504 -4.433 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.956 -5.965 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.945 -4.642 0.151 1.00 0.00 H new ATOM 0 HG LEU A 44 10.850 -7.040 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.414 -7.743 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.498 -7.664 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.319 -6.375 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.344 -6.081 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.231 -4.730 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.715 -4.910 -0.944 1.00 0.00 H new ATOM 710 N LEU A 45 9.648 -3.762 3.209 1.00 0.00 N ATOM 711 CA LEU A 45 9.284 -2.577 4.010 1.00 0.00 C ATOM 712 C LEU A 45 10.577 -1.987 4.576 1.00 0.00 C ATOM 713 O LEU A 45 10.765 -0.807 4.534 1.00 0.00 O ATOM 714 CB LEU A 45 8.354 -3.041 5.105 1.00 0.00 C ATOM 715 CG LEU A 45 8.175 -1.913 6.120 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.843 -0.590 5.394 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.057 -2.306 7.071 1.00 0.00 C ATOM 0 H LEU A 45 9.364 -4.667 3.585 1.00 0.00 H new ATOM 0 HA LEU A 45 8.779 -1.809 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.389 -3.325 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.761 -3.926 5.594 1.00 0.00 H new ATOM 0 HG LEU A 45 9.096 -1.758 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.718 0.206 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.656 -0.333 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.920 -0.708 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.910 -1.515 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.135 -2.454 6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.322 -3.232 7.582 1.00 0.00 H new ATOM 729 N ALA A 46 11.477 -2.815 5.071 1.00 0.00 N ATOM 730 CA ALA A 46 12.787 -2.289 5.595 1.00 0.00 C ATOM 731 C ALA A 46 13.515 -1.497 4.509 1.00 0.00 C ATOM 732 O ALA A 46 13.977 -0.415 4.765 1.00 0.00 O ATOM 733 CB ALA A 46 13.625 -3.512 5.910 1.00 0.00 C ATOM 0 H ALA A 46 11.361 -3.826 5.134 1.00 0.00 H new ATOM 0 HA ALA A 46 12.626 -1.642 6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.595 -3.199 6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.115 -4.120 6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.769 -4.098 5.002 1.00 0.00 H new ATOM 739 N GLU A 47 13.600 -2.030 3.296 1.00 0.00 N ATOM 740 CA GLU A 47 14.275 -1.285 2.191 1.00 0.00 C ATOM 741 C GLU A 47 13.410 -0.080 1.815 1.00 0.00 C ATOM 742 O GLU A 47 13.935 0.977 1.548 1.00 0.00 O ATOM 743 CB GLU A 47 14.526 -2.258 1.020 1.00 0.00 C ATOM 744 CG GLU A 47 13.261 -2.871 0.476 1.00 0.00 C ATOM 745 CD GLU A 47 13.645 -4.069 -0.409 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.743 -5.166 0.120 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.847 -3.872 -1.594 1.00 0.00 O ATOM 0 H GLU A 47 13.229 -2.944 3.037 1.00 0.00 H new ATOM 0 HA GLU A 47 15.248 -0.896 2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.039 -1.727 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.193 -3.053 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.614 -3.194 1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.701 -2.136 -0.102 1.00 0.00 H new ATOM 754 N ALA A 48 12.086 -0.205 1.862 1.00 0.00 N ATOM 755 CA ALA A 48 11.224 0.975 1.597 1.00 0.00 C ATOM 756 C ALA A 48 11.416 2.020 2.707 1.00 0.00 C ATOM 757 O ALA A 48 11.460 3.206 2.441 1.00 0.00 O ATOM 758 CB ALA A 48 9.818 0.417 1.642 1.00 0.00 C ATOM 0 H ALA A 48 11.588 -1.070 2.071 1.00 0.00 H new ATOM 0 HA ALA A 48 11.451 1.466 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.103 1.218 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.707 -0.353 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.630 -0.017 2.624 1.00 0.00 H new ATOM 764 N LYS A 49 11.575 1.572 3.940 1.00 0.00 N ATOM 765 CA LYS A 49 11.816 2.499 5.083 1.00 0.00 C ATOM 766 C LYS A 49 13.247 3.030 4.968 1.00 0.00 C ATOM 767 O LYS A 49 13.517 4.194 5.197 1.00 0.00 O ATOM 768 CB LYS A 49 11.597 1.635 6.322 1.00 0.00 C ATOM 769 CG LYS A 49 10.171 1.885 6.803 1.00 0.00 C ATOM 770 CD LYS A 49 9.632 0.635 7.467 1.00 0.00 C ATOM 771 CE LYS A 49 10.119 0.597 8.903 1.00 0.00 C ATOM 772 NZ LYS A 49 9.393 -0.539 9.548 1.00 0.00 N ATOM 0 H LYS A 49 11.546 0.585 4.196 1.00 0.00 H new ATOM 0 HA LYS A 49 11.163 3.371 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.744 0.581 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.316 1.891 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.154 2.718 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.537 2.165 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.542 0.632 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.968 -0.252 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.198 0.447 8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.907 1.537 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.686 -0.618 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.368 -0.367 9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.619 -1.423 9.049 1.00 0.00 H new ATOM 786 N LYS A 50 14.135 2.168 4.518 1.00 0.00 N ATOM 787 CA LYS A 50 15.555 2.540 4.246 1.00 0.00 C ATOM 788 C LYS A 50 15.545 3.627 3.153 1.00 0.00 C ATOM 789 O LYS A 50 16.290 4.588 3.215 1.00 0.00 O ATOM 790 CB LYS A 50 16.169 1.207 3.754 1.00 0.00 C ATOM 791 CG LYS A 50 17.402 1.400 2.862 1.00 0.00 C ATOM 792 CD LYS A 50 17.469 0.227 1.867 1.00 0.00 C ATOM 793 CE LYS A 50 17.941 -1.045 2.590 1.00 0.00 C ATOM 794 NZ LYS A 50 18.155 -2.059 1.513 1.00 0.00 N ATOM 0 H LYS A 50 13.920 1.190 4.324 1.00 0.00 H new ATOM 0 HA LYS A 50 16.115 2.944 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.445 0.601 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.413 0.649 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.339 2.348 2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.307 1.435 3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.488 0.060 1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.152 0.468 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.861 -0.862 3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.197 -1.387 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.478 -2.952 1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.262 -2.220 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.874 -1.711 0.847 1.00 0.00 H new ATOM 808 N LEU A 51 14.653 3.482 2.181 1.00 0.00 N ATOM 809 CA LEU A 51 14.511 4.499 1.092 1.00 0.00 C ATOM 810 C LEU A 51 13.857 5.761 1.648 1.00 0.00 C ATOM 811 O LEU A 51 14.196 6.857 1.263 1.00 0.00 O ATOM 812 CB LEU A 51 13.573 3.859 0.060 1.00 0.00 C ATOM 813 CG LEU A 51 14.342 3.266 -1.124 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.684 2.672 -0.687 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.499 2.164 -1.732 1.00 0.00 C ATOM 0 H LEU A 51 14.015 2.689 2.105 1.00 0.00 H new ATOM 0 HA LEU A 51 15.475 4.774 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.986 3.076 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.869 4.608 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 51 14.541 4.062 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.200 2.261 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.297 3.452 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.511 1.879 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.028 1.726 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.312 1.394 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.550 2.578 -2.072 1.00 0.00 H new ATOM 827 N ASN A 52 12.914 5.597 2.553 1.00 0.00 N ATOM 828 CA ASN A 52 12.207 6.762 3.159 1.00 0.00 C ATOM 829 C ASN A 52 13.214 7.711 3.831 1.00 0.00 C ATOM 830 O ASN A 52 13.111 8.913 3.702 1.00 0.00 O ATOM 831 CB ASN A 52 11.260 6.151 4.196 1.00 0.00 C ATOM 832 CG ASN A 52 10.302 7.220 4.711 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.407 7.636 4.009 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.460 7.691 5.915 1.00 0.00 N ATOM 0 H ASN A 52 12.605 4.688 2.898 1.00 0.00 H new ATOM 0 HA ASN A 52 11.671 7.353 2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.698 5.330 3.750 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.833 5.733 5.024 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.830 8.411 6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.214 7.340 6.505 1.00 0.00 H new ATOM 841 N ASP A 53 14.193 7.168 4.530 1.00 0.00 N ATOM 842 CA ASP A 53 15.230 8.032 5.202 1.00 0.00 C ATOM 843 C ASP A 53 16.327 8.458 4.208 1.00 0.00 C ATOM 844 O ASP A 53 16.791 9.587 4.248 1.00 0.00 O ATOM 845 CB ASP A 53 15.833 7.173 6.323 1.00 0.00 C ATOM 846 CG ASP A 53 14.748 6.751 7.329 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.099 7.627 7.886 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.590 5.559 7.530 1.00 0.00 O ATOM 0 H ASP A 53 14.319 6.165 4.664 1.00 0.00 H new ATOM 0 HA ASP A 53 14.784 8.948 5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.304 6.288 5.896 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.614 7.733 6.837 1.00 0.00 H new ATOM 853 N ALA A 54 16.741 7.569 3.318 1.00 0.00 N ATOM 854 CA ALA A 54 17.809 7.924 2.313 1.00 0.00 C ATOM 855 C ALA A 54 17.269 8.968 1.320 1.00 0.00 C ATOM 856 O ALA A 54 17.886 9.995 1.096 1.00 0.00 O ATOM 857 CB ALA A 54 18.145 6.611 1.597 1.00 0.00 C ATOM 0 H ALA A 54 16.385 6.616 3.246 1.00 0.00 H new ATOM 0 HA ALA A 54 18.692 8.359 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.917 6.792 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.506 5.883 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.251 6.224 1.109 1.00 0.00 H new ATOM 863 N GLN A 55 16.104 8.716 0.753 1.00 0.00 N ATOM 864 CA GLN A 55 15.471 9.689 -0.205 1.00 0.00 C ATOM 865 C GLN A 55 14.946 10.935 0.546 1.00 0.00 C ATOM 866 O GLN A 55 14.734 11.971 -0.059 1.00 0.00 O ATOM 867 CB GLN A 55 14.307 8.944 -0.871 1.00 0.00 C ATOM 868 CG GLN A 55 14.834 7.751 -1.689 1.00 0.00 C ATOM 869 CD GLN A 55 13.678 7.111 -2.459 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.737 6.974 -3.663 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.618 6.715 -1.810 1.00 0.00 N ATOM 0 H GLN A 55 15.561 7.868 0.916 1.00 0.00 H new ATOM 0 HA GLN A 55 16.196 10.038 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.609 8.593 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.755 9.624 -1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.606 8.084 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.295 7.018 -1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.567 6.830 -0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.840 6.291 -2.315 1.00 0.00 H new ATOM 880 N ALA A 56 14.721 10.831 1.859 1.00 0.00 N ATOM 881 CA ALA A 56 14.193 11.997 2.658 1.00 0.00 C ATOM 882 C ALA A 56 15.068 13.248 2.518 1.00 0.00 C ATOM 883 O ALA A 56 16.262 13.153 2.268 1.00 0.00 O ATOM 884 CB ALA A 56 14.205 11.558 4.126 1.00 0.00 C ATOM 0 H ALA A 56 14.884 9.983 2.402 1.00 0.00 H new ATOM 0 HA ALA A 56 13.198 12.258 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.831 12.369 4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.569 10.681 4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.224 11.311 4.424 1.00 0.00 H new ATOM 1014 N ASN B 6 0.034 -5.883 -8.754 1.00 0.00 N ATOM 1015 CA ASN B 6 1.001 -4.982 -8.013 1.00 0.00 C ATOM 1016 C ASN B 6 0.965 -3.553 -8.594 1.00 0.00 C ATOM 1017 O ASN B 6 0.994 -2.580 -7.860 1.00 0.00 O ATOM 1018 CB ASN B 6 2.420 -5.604 -8.110 1.00 0.00 C ATOM 1019 CG ASN B 6 2.734 -6.195 -9.503 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.372 -5.639 -10.521 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.412 -7.307 -9.585 1.00 0.00 N ATOM 0 HA ASN B 6 0.715 -4.904 -6.964 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.161 -4.841 -7.871 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.517 -6.389 -7.360 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.634 -7.703 -10.498 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.720 -7.780 -8.736 1.00 0.00 H new ATOM 1028 N LYS B 7 0.847 -3.429 -9.896 1.00 0.00 N ATOM 1029 CA LYS B 7 0.742 -2.073 -10.541 1.00 0.00 C ATOM 1030 C LYS B 7 -0.553 -1.377 -10.092 1.00 0.00 C ATOM 1031 O LYS B 7 -0.601 -0.169 -9.940 1.00 0.00 O ATOM 1032 CB LYS B 7 0.725 -2.328 -12.054 1.00 0.00 C ATOM 1033 CG LYS B 7 0.879 -0.999 -12.808 1.00 0.00 C ATOM 1034 CD LYS B 7 2.334 -0.516 -12.722 1.00 0.00 C ATOM 1035 CE LYS B 7 2.423 0.953 -13.162 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.416 1.753 -11.898 1.00 0.00 N ATOM 0 H LYS B 7 0.818 -4.214 -10.547 1.00 0.00 H new ATOM 0 HA LYS B 7 1.571 -1.423 -10.260 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.533 -3.007 -12.327 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.209 -2.813 -12.340 1.00 0.00 H new ATOM 0 HG2 LYS B 7 0.590 -1.127 -13.851 1.00 0.00 H new ATOM 0 HG3 LYS B 7 0.212 -0.250 -12.382 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.702 -0.622 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.970 -1.134 -13.356 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.331 1.136 -13.736 1.00 0.00 H new ATOM 0 HE3 LYS B 7 1.582 1.222 -13.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.287 2.760 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.636 1.433 -11.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 3.320 1.624 -11.400 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.589 -2.148 -9.866 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.893 -1.579 -9.399 1.00 0.00 C ATOM 1052 C GLU B 8 -2.776 -1.049 -7.973 1.00 0.00 C ATOM 1053 O GLU B 8 -3.387 -0.054 -7.651 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.903 -2.729 -9.465 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.848 -2.533 -10.650 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.713 -3.789 -10.824 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.750 -3.869 -10.181 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.321 -4.651 -11.594 1.00 0.00 O ATOM 0 H GLU B 8 -1.586 -3.161 -9.987 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.202 -0.739 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.378 -3.679 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.475 -2.774 -8.538 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.481 -1.662 -10.484 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.276 -2.343 -11.558 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.967 -1.664 -7.136 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.799 -1.126 -5.742 1.00 0.00 C ATOM 1067 C LEU B 9 -0.896 0.107 -5.785 1.00 0.00 C ATOM 1068 O LEU B 9 -0.894 0.904 -4.866 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.151 -2.184 -4.852 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.705 -3.593 -5.097 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.665 -4.618 -4.607 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -3.021 -3.739 -4.312 1.00 0.00 C ATOM 0 H LEU B 9 -1.425 -2.500 -7.352 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.777 -0.862 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.075 -2.187 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.305 -1.916 -3.807 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.900 -3.763 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.042 -5.627 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.266 -4.483 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.482 -4.470 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.432 -4.736 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.829 -3.593 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.735 -2.992 -4.657 1.00 0.00 H new ATOM 1084 N SER B 10 -0.154 0.291 -6.859 1.00 0.00 N ATOM 1085 CA SER B 10 0.699 1.496 -6.981 1.00 0.00 C ATOM 1086 C SER B 10 -0.253 2.711 -7.045 1.00 0.00 C ATOM 1087 O SER B 10 -0.105 3.667 -6.307 1.00 0.00 O ATOM 1088 CB SER B 10 1.489 1.283 -8.296 1.00 0.00 C ATOM 1089 OG SER B 10 1.349 2.403 -9.175 1.00 0.00 O ATOM 0 H SER B 10 -0.111 -0.350 -7.651 1.00 0.00 H new ATOM 0 HA SER B 10 1.394 1.664 -6.158 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.543 1.127 -8.068 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.134 0.381 -8.794 1.00 0.00 H new ATOM 0 HG SER B 10 1.689 3.210 -8.734 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.254 2.632 -7.914 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.248 3.749 -8.056 1.00 0.00 C ATOM 1097 C VAL B 11 -3.347 3.638 -6.987 1.00 0.00 C ATOM 1098 O VAL B 11 -3.589 4.577 -6.247 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.847 3.590 -9.472 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.692 4.820 -9.813 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.721 3.434 -10.511 1.00 0.00 C ATOM 0 H VAL B 11 -1.418 1.835 -8.529 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.780 4.724 -7.922 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.474 2.699 -9.493 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.114 4.706 -10.812 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.499 4.919 -9.087 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.066 5.711 -9.783 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.155 3.323 -11.504 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.083 4.317 -10.491 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.127 2.551 -10.274 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.005 2.494 -6.902 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.096 2.300 -5.884 1.00 0.00 C ATOM 1113 C ALA B 12 -4.546 2.400 -4.468 1.00 0.00 C ATOM 1114 O ALA B 12 -5.099 3.081 -3.634 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.646 0.885 -6.125 1.00 0.00 C ATOM 0 H ALA B 12 -3.830 1.685 -7.498 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.865 3.066 -5.986 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.446 0.680 -5.414 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.036 0.814 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.847 0.156 -5.991 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.462 1.727 -4.214 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.840 1.729 -2.867 1.00 0.00 C ATOM 1123 C GLY B 13 -2.416 3.124 -2.456 1.00 0.00 C ATOM 1124 O GLY B 13 -2.819 3.595 -1.412 1.00 0.00 O ATOM 0 H GLY B 13 -2.969 1.161 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.546 1.332 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -1.973 1.068 -2.864 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.572 3.766 -3.240 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.085 5.132 -2.832 1.00 0.00 C ATOM 1130 C ARG B 14 -2.251 6.137 -2.624 1.00 0.00 C ATOM 1131 O ARG B 14 -2.224 6.924 -1.696 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.141 5.640 -3.929 1.00 0.00 C ATOM 1133 CG ARG B 14 1.125 6.262 -3.303 1.00 0.00 C ATOM 1134 CD ARG B 14 0.782 7.273 -2.204 1.00 0.00 C ATOM 1135 NE ARG B 14 1.993 7.317 -1.332 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.976 8.140 -1.596 1.00 0.00 C ATOM 1137 NH1 ARG B 14 4.062 7.691 -2.175 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.873 9.407 -1.277 1.00 0.00 N ATOM 0 H ARG B 14 -1.206 3.414 -4.125 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.570 5.052 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.138 4.817 -4.588 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.652 6.381 -4.543 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.750 5.472 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.709 6.755 -4.080 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.562 8.254 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.099 6.962 -1.642 1.00 0.00 H new ATOM 0 HE ARG B 14 2.055 6.700 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.139 6.703 -2.418 1.00 0.00 H new ATOM 0 HH12 ARG B 14 4.830 8.329 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG B 14 2.027 9.751 -0.823 1.00 0.00 H new ATOM 0 HH22 ARG B 14 3.639 10.049 -1.483 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.266 6.128 -3.457 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.404 7.102 -3.258 1.00 0.00 C ATOM 1154 C GLU B 15 -5.221 6.734 -1.996 1.00 0.00 C ATOM 1155 O GLU B 15 -5.546 7.597 -1.200 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.249 7.014 -4.529 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.475 7.627 -5.707 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.347 7.627 -6.964 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.149 8.535 -7.108 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.195 6.721 -7.763 1.00 0.00 O ATOM 0 H GLU B 15 -3.362 5.501 -4.256 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.049 8.120 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.494 5.974 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.193 7.541 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.174 8.646 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.562 7.059 -5.888 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.507 5.456 -1.797 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.261 4.972 -0.568 1.00 0.00 C ATOM 1169 C ILE B 16 -5.458 5.272 0.713 1.00 0.00 C ATOM 1170 O ILE B 16 -6.008 5.567 1.761 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.369 3.444 -0.758 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.347 3.142 -1.906 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.875 2.762 0.527 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.211 1.689 -2.364 1.00 0.00 C ATOM 0 H ILE B 16 -5.246 4.712 -2.444 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.230 5.460 -0.466 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.378 3.055 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.369 3.331 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.151 3.812 -2.743 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.942 1.686 0.366 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.182 2.964 1.343 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.860 3.152 0.782 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.912 1.497 -3.177 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.194 1.511 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.431 1.023 -1.530 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.161 5.157 0.616 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.257 5.386 1.782 1.00 0.00 C ATOM 1188 C VAL B 17 -3.005 6.892 2.043 1.00 0.00 C ATOM 1189 O VAL B 17 -2.540 7.246 3.114 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.977 4.620 1.381 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.124 5.398 0.412 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.156 4.252 2.587 1.00 0.00 C ATOM 0 H VAL B 17 -3.677 4.907 -0.246 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.675 5.036 2.726 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.313 3.709 0.885 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.236 4.817 0.161 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.695 5.599 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.823 6.341 0.868 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.263 3.714 2.269 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.864 5.158 3.119 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.745 3.617 3.248 1.00 0.00 H new ATOM 1202 N THR B 18 -3.276 7.779 1.084 1.00 0.00 N ATOM 1203 CA THR B 18 -3.003 9.245 1.321 1.00 0.00 C ATOM 1204 C THR B 18 -4.209 10.172 1.077 1.00 0.00 C ATOM 1205 O THR B 18 -4.006 11.379 1.028 1.00 0.00 O ATOM 1206 CB THR B 18 -1.871 9.636 0.351 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.320 9.526 -0.995 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.666 8.731 0.564 1.00 0.00 C ATOM 0 H THR B 18 -3.666 7.550 0.170 1.00 0.00 H new ATOM 0 HA THR B 18 -2.748 9.374 2.373 1.00 0.00 H new ATOM 0 HB THR B 18 -1.583 10.669 0.548 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.445 8.581 -1.222 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.129 9.015 -0.126 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.310 8.834 1.589 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.952 7.695 0.381 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.447 9.695 0.924 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.551 10.708 0.692 1.00 0.00 C ATOM 1218 C LEU B 19 -6.714 11.620 1.940 1.00 0.00 C ATOM 1219 O LEU B 19 -6.424 11.210 3.053 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.831 9.976 0.271 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.228 8.865 1.229 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.725 8.971 1.439 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.910 7.504 0.606 1.00 0.00 C ATOM 0 H LEU B 19 -5.724 8.714 0.948 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.297 11.380 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.647 10.695 0.201 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.691 9.555 -0.725 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.685 8.958 2.170 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.053 8.188 2.123 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.965 9.947 1.862 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.236 8.854 0.483 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.197 6.712 1.297 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.465 7.392 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.841 7.438 0.402 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.055 12.875 1.674 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.110 13.939 2.736 1.00 0.00 C ATOM 1237 C PRO B 20 -8.199 13.764 3.808 1.00 0.00 C ATOM 1238 O PRO B 20 -7.961 14.088 4.961 1.00 0.00 O ATOM 1239 CB PRO B 20 -7.357 15.221 1.939 1.00 0.00 C ATOM 1240 CG PRO B 20 -8.010 14.772 0.673 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.452 13.412 0.360 1.00 0.00 C ATOM 0 HA PRO B 20 -6.191 13.920 3.321 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.997 15.910 2.490 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -6.423 15.745 1.737 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -9.093 14.729 0.790 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -7.805 15.471 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.196 12.777 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.601 13.477 -0.318 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.381 13.305 3.463 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.462 13.184 4.513 1.00 0.00 C ATOM 1251 C ASN B 21 -10.475 11.812 5.209 1.00 0.00 C ATOM 1252 O ASN B 21 -11.336 11.560 6.039 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.789 13.398 3.787 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.916 14.813 3.203 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.053 15.655 3.364 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.995 15.112 2.535 1.00 0.00 N ATOM 0 H ASN B 21 -9.647 13.013 2.522 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.285 13.919 5.298 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.883 12.667 2.984 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.612 13.218 4.479 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.113 16.049 2.150 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.721 14.409 2.398 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.548 10.924 4.900 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.543 9.587 5.570 1.00 0.00 C ATOM 1265 C LEU B 22 -8.575 9.584 6.743 1.00 0.00 C ATOM 1266 O LEU B 22 -7.604 10.325 6.774 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.053 8.592 4.531 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.644 7.197 4.773 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -11.013 7.072 4.091 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.686 6.148 4.196 1.00 0.00 C ATOM 0 H LEU B 22 -8.804 11.072 4.218 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.536 9.340 5.945 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.328 8.938 3.535 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.965 8.538 4.560 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.773 7.040 5.844 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.420 6.077 4.271 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.692 7.821 4.498 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.901 7.229 3.018 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.095 5.151 4.362 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.563 6.317 3.126 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.717 6.229 4.689 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.819 8.715 7.677 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.899 8.587 8.864 1.00 0.00 C ATOM 1284 C ASN B 23 -7.054 7.296 8.738 1.00 0.00 C ATOM 1285 O ASN B 23 -7.317 6.461 7.885 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.790 8.615 10.132 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.778 7.438 10.183 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.644 6.479 9.463 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.773 7.473 11.028 1.00 0.00 N ATOM 0 H ASN B 23 -9.617 8.079 7.681 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.182 9.406 8.921 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.156 8.592 11.018 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.345 9.553 10.162 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.429 6.694 11.076 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.894 8.280 11.640 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.017 7.155 9.546 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.108 5.954 9.448 1.00 0.00 C ATOM 1298 C ASP B 24 -5.818 4.568 9.565 1.00 0.00 C ATOM 1299 O ASP B 24 -5.408 3.666 8.859 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.992 6.134 10.510 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.539 6.102 11.942 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.981 7.140 12.412 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.493 5.045 12.549 1.00 0.00 O ATOM 0 H ASP B 24 -5.761 7.824 10.272 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.695 5.924 8.440 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.249 5.346 10.390 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.481 7.082 10.340 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.836 4.399 10.422 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.505 3.059 10.525 1.00 0.00 C ATOM 1310 C PRO B 25 -8.282 2.686 9.239 1.00 0.00 C ATOM 1311 O PRO B 25 -8.273 1.530 8.849 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.444 3.209 11.720 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.707 4.672 11.821 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.458 5.366 11.349 1.00 0.00 C ATOM 0 HA PRO B 25 -6.783 2.252 10.651 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.368 2.651 11.568 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.986 2.826 12.632 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.563 4.955 11.208 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.943 4.954 12.847 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.690 6.306 10.848 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.795 5.603 12.181 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.947 3.635 8.571 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.701 3.281 7.314 1.00 0.00 C ATOM 1324 C GLN B 26 -8.717 2.766 6.264 1.00 0.00 C ATOM 1325 O GLN B 26 -8.855 1.658 5.793 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.369 4.572 6.821 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.360 5.089 7.866 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.738 4.453 7.706 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.889 3.377 7.160 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.757 5.095 8.184 1.00 0.00 N ATOM 0 H GLN B 26 -8.993 4.617 8.844 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.445 2.506 7.497 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.611 5.329 6.623 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.886 4.385 5.880 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -10.977 4.879 8.865 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.448 6.172 7.779 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.623 5.997 8.641 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -14.693 4.698 8.104 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.704 3.560 5.933 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.666 3.113 4.930 1.00 0.00 C ATOM 1341 C LYS B 27 -5.975 1.834 5.384 1.00 0.00 C ATOM 1342 O LYS B 27 -5.593 1.033 4.571 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.615 4.222 4.764 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.176 4.867 6.088 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.507 6.212 5.781 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.570 7.283 5.459 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.320 7.709 4.050 1.00 0.00 N ATOM 0 H LYS B 27 -7.556 4.494 6.315 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.166 2.916 3.982 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.739 3.807 4.265 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.018 4.996 4.110 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.037 5.013 6.741 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.483 4.212 6.616 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.908 6.530 6.634 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.826 6.102 4.937 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.576 6.879 5.571 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -5.489 8.129 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.830 8.595 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.301 7.859 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -5.655 6.970 3.399 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.805 1.643 6.670 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.142 0.394 7.168 1.00 0.00 C ATOM 1363 C LYS B 28 -5.932 -0.834 6.692 1.00 0.00 C ATOM 1364 O LYS B 28 -5.419 -1.644 5.949 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.162 0.480 8.704 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.736 0.464 9.219 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.229 -0.972 9.283 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.694 -0.982 9.239 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.271 -2.227 9.949 1.00 0.00 N ATOM 0 H LYS B 28 -6.096 2.297 7.397 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.123 0.300 6.794 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.667 1.392 9.023 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.722 -0.357 9.121 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.096 1.057 8.565 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.691 0.920 10.208 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.579 -1.451 10.197 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.630 -1.547 8.448 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.333 -0.977 8.211 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.284 -0.097 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.415 -2.034 10.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -2.034 -2.542 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.069 -2.972 9.252 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.191 -0.946 7.084 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.040 -2.100 6.616 1.00 0.00 C ATOM 1385 C ALA B 29 -8.218 -2.022 5.085 1.00 0.00 C ATOM 1386 O ALA B 29 -8.317 -3.035 4.419 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.389 -1.936 7.325 1.00 0.00 C ATOM 0 H ALA B 29 -7.663 -0.289 7.705 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.588 -3.065 6.845 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.057 -2.745 7.029 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.239 -1.966 8.404 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.832 -0.980 7.047 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.244 -0.816 4.540 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.399 -0.617 3.059 1.00 0.00 C ATOM 1395 C PHE B 30 -7.204 -1.180 2.304 1.00 0.00 C ATOM 1396 O PHE B 30 -7.354 -1.994 1.421 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.428 0.904 2.858 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.742 1.324 2.294 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.993 1.120 0.944 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.704 1.911 3.119 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.215 1.509 0.409 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.926 2.299 2.583 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.184 2.099 1.229 1.00 0.00 C ATOM 0 H PHE B 30 -8.163 0.050 5.073 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.293 -1.120 2.690 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.255 1.407 3.809 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.623 1.205 2.187 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.244 0.662 0.314 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.499 2.063 4.168 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.417 1.356 -0.641 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.674 2.755 3.215 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.133 2.400 0.811 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.022 -0.738 2.652 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.796 -1.232 1.977 1.00 0.00 C ATOM 1415 C ILE B 31 -4.668 -2.744 2.229 1.00 0.00 C ATOM 1416 O ILE B 31 -4.335 -3.493 1.335 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.618 -0.476 2.632 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.504 0.978 2.090 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.297 -1.239 2.392 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.045 1.387 2.024 1.00 0.00 C ATOM 0 H ILE B 31 -5.858 -0.047 3.385 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.816 -1.066 0.900 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.810 -0.420 3.703 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -3.955 1.043 1.100 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.054 1.661 2.737 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.474 -0.697 2.858 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.368 -2.236 2.828 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.115 -1.324 1.321 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -1.970 2.406 1.644 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.608 1.338 3.021 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.507 0.711 1.359 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.922 -3.184 3.455 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.817 -4.644 3.775 1.00 0.00 C ATOM 1434 C PHE B 32 -5.845 -5.440 2.938 1.00 0.00 C ATOM 1435 O PHE B 32 -5.531 -6.521 2.472 1.00 0.00 O ATOM 1436 CB PHE B 32 -5.022 -4.775 5.306 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.681 -4.555 6.024 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.989 -3.319 5.910 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.091 -5.599 6.796 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.768 -3.150 6.547 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.865 -5.396 7.404 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.214 -4.188 7.282 1.00 0.00 C ATOM 0 H PHE B 32 -5.196 -2.590 4.238 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.846 -5.064 3.514 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.754 -4.044 5.649 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.418 -5.761 5.547 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.412 -2.513 5.329 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.600 -6.545 6.906 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.247 -2.207 6.470 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.414 -6.191 7.979 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.259 -4.047 7.766 1.00 0.00 H new ATOM 1452 N SER B 33 -7.036 -4.895 2.665 1.00 0.00 N ATOM 1453 CA SER B 33 -8.002 -5.633 1.765 1.00 0.00 C ATOM 1454 C SER B 33 -7.557 -5.443 0.289 1.00 0.00 C ATOM 1455 O SER B 33 -7.715 -6.328 -0.528 1.00 0.00 O ATOM 1456 CB SER B 33 -9.396 -5.040 2.030 1.00 0.00 C ATOM 1457 OG SER B 33 -9.421 -3.662 1.698 1.00 0.00 O ATOM 0 H SER B 33 -7.365 -3.997 3.019 1.00 0.00 H new ATOM 0 HA SER B 33 -8.022 -6.705 1.962 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.143 -5.575 1.443 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.660 -5.172 3.079 1.00 0.00 H new ATOM 0 HG SER B 33 -8.506 -3.312 1.686 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.954 -4.299 -0.021 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.417 -4.014 -1.405 1.00 0.00 C ATOM 1465 C LEU B 34 -5.255 -4.979 -1.709 1.00 0.00 C ATOM 1466 O LEU B 34 -5.148 -5.500 -2.806 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.969 -2.528 -1.318 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.004 -2.108 -2.425 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.778 -1.806 -3.722 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.267 -0.839 -1.973 1.00 0.00 C ATOM 0 H LEU B 34 -6.811 -3.539 0.644 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.134 -4.161 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.852 -1.890 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.495 -2.357 -0.352 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.297 -2.915 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.078 -1.508 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.317 -2.698 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.487 -0.998 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.573 -0.524 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.990 -0.044 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.714 -1.046 -1.057 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.411 -5.240 -0.729 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.272 -6.193 -0.916 1.00 0.00 C ATOM 1484 C TRP B 35 -3.782 -7.645 -1.038 1.00 0.00 C ATOM 1485 O TRP B 35 -3.334 -8.395 -1.886 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.417 -6.071 0.345 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.202 -6.910 0.153 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.953 -8.091 0.758 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.090 -6.667 -0.736 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.244 -8.579 0.299 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.825 -7.728 -0.615 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.212 -5.628 -1.618 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.002 -7.752 -1.347 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.394 -5.649 -2.353 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.286 -6.704 -2.215 1.00 0.00 C ATOM 0 H TRP B 35 -4.469 -4.825 0.201 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.717 -5.959 -1.825 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.140 -5.031 0.520 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.976 -6.403 1.220 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.591 -8.572 1.484 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.654 -9.464 0.598 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.476 -4.803 -1.731 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.692 -8.577 -1.244 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.618 -4.841 -3.034 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.204 -6.710 -2.784 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.698 -8.037 -0.167 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.241 -9.433 -0.181 1.00 0.00 C ATOM 1508 C ASP B 36 -6.097 -9.663 -1.422 1.00 0.00 C ATOM 1509 O ASP B 36 -6.008 -10.706 -2.050 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.095 -9.553 1.094 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.301 -11.031 1.442 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -5.470 -11.570 2.154 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -7.283 -11.596 0.990 1.00 0.00 O ATOM 0 H ASP B 36 -5.092 -7.437 0.558 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.444 -10.176 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.604 -9.040 1.921 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.059 -9.067 0.944 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.926 -8.699 -1.778 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.790 -8.867 -2.975 1.00 0.00 C ATOM 1520 C ASP B 37 -7.704 -7.628 -3.887 1.00 0.00 C ATOM 1521 O ASP B 37 -8.637 -6.839 -3.947 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.236 -9.076 -2.457 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.268 -10.072 -1.286 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.164 -11.262 -1.541 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.393 -9.625 -0.157 1.00 0.00 O ATOM 0 H ASP B 37 -7.033 -7.812 -1.286 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.468 -9.720 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.652 -8.121 -2.137 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.866 -9.443 -3.267 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.594 -7.507 -4.614 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.432 -6.377 -5.573 1.00 0.00 C ATOM 1532 C PRO B 38 -7.434 -6.479 -6.746 1.00 0.00 C ATOM 1533 O PRO B 38 -7.530 -5.563 -7.540 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.001 -6.500 -6.053 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.666 -7.941 -5.851 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.403 -8.372 -4.614 1.00 0.00 C ATOM 0 HA PRO B 38 -6.633 -5.410 -5.111 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.907 -6.213 -7.100 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.334 -5.853 -5.484 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.970 -8.536 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.591 -8.078 -5.732 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.672 -9.428 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.801 -8.229 -3.716 1.00 0.00 H new ATOM 1544 N SER B 39 -8.223 -7.547 -6.838 1.00 0.00 N ATOM 1545 CA SER B 39 -9.269 -7.622 -7.916 1.00 0.00 C ATOM 1546 C SER B 39 -10.236 -6.442 -7.691 1.00 0.00 C ATOM 1547 O SER B 39 -10.705 -5.819 -8.625 1.00 0.00 O ATOM 1548 CB SER B 39 -9.986 -8.961 -7.715 1.00 0.00 C ATOM 1549 OG SER B 39 -10.263 -9.542 -8.983 1.00 0.00 O ATOM 0 H SER B 39 -8.182 -8.355 -6.217 1.00 0.00 H new ATOM 0 HA SER B 39 -8.863 -7.562 -8.926 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.366 -9.633 -7.122 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.913 -8.811 -7.161 1.00 0.00 H new ATOM 0 HG SER B 39 -10.720 -10.400 -8.857 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.473 -6.109 -6.424 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.341 -4.937 -6.062 1.00 0.00 C ATOM 1557 C GLN B 40 -10.466 -3.663 -5.899 1.00 0.00 C ATOM 1558 O GLN B 40 -10.923 -2.692 -5.353 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.985 -5.246 -4.686 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.378 -6.723 -4.512 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.265 -7.209 -5.668 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.144 -6.504 -6.128 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.075 -8.407 -6.149 1.00 0.00 N ATOM 0 H GLN B 40 -10.092 -6.613 -5.623 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.089 -4.772 -6.837 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.287 -4.968 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.872 -4.625 -4.561 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.478 -7.336 -4.460 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.907 -6.851 -3.567 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.339 -9.000 -5.765 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.662 -8.751 -6.909 1.00 0.00 H new ATOM 1572 N SER B 41 -9.207 -3.679 -6.331 1.00 0.00 N ATOM 1573 CA SER B 41 -8.289 -2.487 -6.166 1.00 0.00 C ATOM 1574 C SER B 41 -8.892 -1.214 -6.775 1.00 0.00 C ATOM 1575 O SER B 41 -8.866 -0.166 -6.152 1.00 0.00 O ATOM 1576 CB SER B 41 -7.019 -2.877 -6.900 1.00 0.00 C ATOM 1577 OG SER B 41 -6.061 -1.832 -6.828 1.00 0.00 O ATOM 0 H SER B 41 -8.777 -4.479 -6.795 1.00 0.00 H new ATOM 0 HA SER B 41 -8.116 -2.259 -5.114 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.606 -3.787 -6.465 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.248 -3.097 -7.943 1.00 0.00 H new ATOM 0 HG SER B 41 -5.197 -2.199 -6.547 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.465 -1.303 -7.967 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.111 -0.094 -8.590 1.00 0.00 C ATOM 1585 C ALA B 42 -11.282 0.341 -7.694 1.00 0.00 C ATOM 1586 O ALA B 42 -11.431 1.509 -7.380 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.611 -0.548 -9.968 1.00 0.00 C ATOM 0 H ALA B 42 -9.511 -2.154 -8.527 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.429 0.750 -8.692 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.093 0.289 -10.474 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.768 -0.896 -10.564 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.328 -1.359 -9.846 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.076 -0.618 -7.242 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.208 -0.319 -6.318 1.00 0.00 C ATOM 1595 C ASN B 43 -12.672 0.189 -4.963 1.00 0.00 C ATOM 1596 O ASN B 43 -13.297 1.015 -4.338 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.965 -1.646 -6.137 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.256 -1.404 -5.344 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.320 -1.694 -4.166 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.295 -0.880 -5.940 1.00 0.00 N ATOM 0 H ASN B 43 -11.976 -1.604 -7.484 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.859 0.459 -6.717 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.201 -2.077 -7.110 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.336 -2.366 -5.614 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.155 -0.716 -5.416 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.246 -0.635 -6.929 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.518 -0.302 -4.517 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.932 0.150 -3.203 1.00 0.00 C ATOM 1609 C LEU B 44 -10.531 1.615 -3.290 1.00 0.00 C ATOM 1610 O LEU B 44 -10.904 2.416 -2.464 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.703 -0.738 -2.990 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.105 -1.958 -2.170 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.333 -3.189 -2.655 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.790 -1.672 -0.700 1.00 0.00 C ATOM 0 H LEU B 44 -10.961 -0.998 -5.013 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.640 0.063 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.293 -1.049 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.921 -0.180 -2.475 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.170 -2.159 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.625 -4.058 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.561 -3.371 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.263 -3.016 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.070 -2.533 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.723 -1.480 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.352 -0.798 -0.371 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.805 1.954 -4.317 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.385 3.372 -4.550 1.00 0.00 C ATOM 1628 C LEU B 45 -10.626 4.277 -4.551 1.00 0.00 C ATOM 1629 O LEU B 45 -10.654 5.304 -3.892 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.710 3.361 -5.935 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.478 4.788 -6.440 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.850 5.636 -5.335 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.549 4.747 -7.652 1.00 0.00 C ATOM 0 H LEU B 45 -9.475 1.296 -5.023 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.712 3.750 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.759 2.832 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.334 2.817 -6.644 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.432 5.232 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.688 6.650 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.518 5.664 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.896 5.200 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.380 5.761 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.597 4.301 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.006 4.150 -8.441 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.656 3.867 -5.255 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.925 4.651 -5.286 1.00 0.00 C ATOM 1647 C ALA B 46 -13.560 4.648 -3.888 1.00 0.00 C ATOM 1648 O ALA B 46 -13.954 5.678 -3.386 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.816 3.902 -6.271 1.00 0.00 C ATOM 0 H ALA B 46 -11.668 3.014 -5.814 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.775 5.691 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.775 4.413 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.334 3.873 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -13.977 2.884 -5.915 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.629 3.483 -3.259 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.206 3.364 -1.881 1.00 0.00 C ATOM 1657 C GLU B 47 -13.434 4.264 -0.905 1.00 0.00 C ATOM 1658 O GLU B 47 -14.011 4.839 -0.009 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.051 1.880 -1.497 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.045 1.526 -0.378 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.486 1.604 -0.907 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.809 0.869 -1.830 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.238 2.414 -0.390 1.00 0.00 O ATOM 0 H GLU B 47 -13.303 2.602 -3.656 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.249 3.678 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.229 1.249 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.031 1.685 -1.165 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.841 0.523 -0.003 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -14.920 2.211 0.461 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.137 4.400 -1.104 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.295 5.279 -0.226 1.00 0.00 C ATOM 1672 C ALA B 48 -11.716 6.742 -0.437 1.00 0.00 C ATOM 1673 O ALA B 48 -12.000 7.446 0.514 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.838 5.040 -0.680 1.00 0.00 C ATOM 0 H ALA B 48 -11.622 3.931 -1.849 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.408 5.058 0.835 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.165 5.652 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.584 3.988 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.735 5.311 -1.731 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.794 7.179 -1.686 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.230 8.590 -1.991 1.00 0.00 C ATOM 1682 C LYS B 49 -13.680 8.817 -1.523 1.00 0.00 C ATOM 1683 O LYS B 49 -13.982 9.819 -0.915 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.153 8.735 -3.522 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.702 8.613 -4.006 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.660 8.815 -5.525 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.274 8.432 -6.063 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.065 9.279 -7.276 1.00 0.00 N ATOM 0 H LYS B 49 -11.573 6.615 -2.506 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.599 9.317 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.765 7.968 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.562 9.700 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.077 9.356 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.300 7.634 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.427 8.206 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.880 9.854 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.500 8.616 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.230 7.372 -6.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.070 9.220 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.677 8.940 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.302 10.267 -7.055 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.571 7.885 -1.806 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.009 8.029 -1.379 1.00 0.00 C ATOM 1704 C LYS B 50 -16.126 7.999 0.158 1.00 0.00 C ATOM 1705 O LYS B 50 -16.890 8.752 0.733 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.753 6.844 -2.020 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.716 6.985 -3.555 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.500 5.848 -4.231 1.00 0.00 C ATOM 1709 CE LYS B 50 -16.882 4.480 -3.883 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.967 3.700 -3.215 1.00 0.00 N ATOM 0 H LYS B 50 -14.362 7.027 -2.317 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.434 8.981 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.290 5.904 -1.719 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.785 6.817 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.139 7.946 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.682 6.974 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -18.541 5.875 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -17.497 5.990 -5.312 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -16.530 3.971 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.022 4.596 -3.224 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.647 2.722 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -18.196 4.138 -2.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.814 3.696 -3.819 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.356 7.146 0.818 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.396 7.071 2.321 1.00 0.00 C ATOM 1726 C LEU B 51 -14.860 8.375 2.943 1.00 0.00 C ATOM 1727 O LEU B 51 -15.380 8.831 3.946 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.515 5.869 2.709 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.714 5.531 4.197 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -14.191 4.124 4.482 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.986 6.543 5.089 1.00 0.00 C ATOM 0 H LEU B 51 -14.703 6.500 0.375 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.414 6.947 2.690 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.771 5.006 2.094 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.467 6.098 2.516 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.780 5.577 4.421 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -14.334 3.889 5.537 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.736 3.403 3.873 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -13.129 4.075 4.240 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -14.141 6.283 6.136 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.919 6.524 4.865 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.379 7.542 4.901 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.834 8.977 2.351 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.266 10.261 2.897 1.00 0.00 C ATOM 1745 C ASN B 52 -14.389 11.313 3.065 1.00 0.00 C ATOM 1746 O ASN B 52 -14.361 12.111 3.978 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.164 10.670 1.867 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.527 11.860 0.937 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.632 12.017 0.483 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.593 12.696 0.593 1.00 0.00 N ATOM 0 H ASN B 52 -13.370 8.628 1.512 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.833 10.164 3.892 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.256 10.923 2.414 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.932 9.804 1.247 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.804 13.462 -0.047 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.649 12.586 0.963 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.382 11.292 2.190 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.513 12.266 2.278 1.00 0.00 C ATOM 1759 C ASP B 53 -17.358 12.032 3.548 1.00 0.00 C ATOM 1760 O ASP B 53 -17.937 12.961 4.083 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.368 12.015 1.030 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.350 13.177 0.829 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.941 14.188 0.282 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.493 13.035 1.231 1.00 0.00 O ATOM 0 H ASP B 53 -15.449 10.632 1.415 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.144 13.290 2.331 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.728 11.913 0.154 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.916 11.078 1.136 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.437 10.796 4.021 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.248 10.496 5.248 1.00 0.00 C ATOM 1771 C ALA B 54 -17.597 11.113 6.499 1.00 0.00 C ATOM 1772 O ALA B 54 -18.282 11.619 7.371 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.267 8.967 5.335 1.00 0.00 C ATOM 0 H ALA B 54 -16.973 9.988 3.605 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.252 10.916 5.193 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.842 8.659 6.208 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.726 8.557 4.435 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.246 8.595 5.423 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.282 11.087 6.572 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.554 11.680 7.742 1.00 0.00 C ATOM 1781 C GLN B 55 -15.365 13.196 7.551 1.00 0.00 C ATOM 1782 O GLN B 55 -15.400 13.951 8.508 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.207 10.946 7.758 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.419 9.507 8.245 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.168 8.678 7.962 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.662 8.004 8.834 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.644 8.701 6.771 1.00 0.00 N ATOM 0 H GLN B 55 -15.678 10.675 5.861 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.096 11.563 8.681 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.769 10.943 6.760 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.506 11.464 8.412 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.636 9.503 9.313 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.280 9.066 7.743 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.070 9.268 6.037 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.808 8.152 6.571 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.160 13.638 6.322 1.00 0.00 N ATOM 1797 CA ALA B 56 -14.959 15.095 6.040 1.00 0.00 C ATOM 1798 C ALA B 56 -15.569 15.474 4.674 1.00 0.00 C ATOM 1799 O ALA B 56 -15.649 14.644 3.798 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.444 15.261 6.008 1.00 0.00 C ATOM 0 H ALA B 56 -15.124 13.038 5.498 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.439 15.734 6.782 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.196 16.303 5.806 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.025 14.968 6.971 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.025 14.630 5.224 1.00 0.00 H new