USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=16 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 21 ASN : amide:sc= -3.31! C(o=-9.6!,f=-11!) USER MOD Set 1.2: B 52 ASN : amide:sc= -6.26! C(o=-9.6!,f=-13!) USER MOD Set 2.1: B 23 ASN : amide:sc= -1.95 K(o=-7.5,f=-20!) USER MOD Set 2.2: B 26 GLN : amide:sc= -4.3! C(o=-7.5!,f=-8.8!) USER MOD Set 2.3: B 55 GLN : amide:sc= -1.24 K(o=-7.5,f=-8.9) USER MOD Set 3.1: A 28 ASN : amide:sc= -7.48! C(o=-7.9!,f=-13!) USER MOD Set 3.2: B 10 SER OG : rot -160:sc= -0.418 USER MOD Set 4.1: A 26 GLN : amide:sc= -1.33 K(o=-2.8,f=-7.3!) USER MOD Set 4.2: A 55 GLN : amide:sc= -1.51 K(o=-2.8,f=-4.8!) USER MOD Set 5.1: A 14 TYR OH : rot -59:sc= -0.0564 USER MOD Set 5.2: A 18 HIS :FLIP no HE2:sc= -21.9! C(o=-24!,f=-22!) USER MOD Single : A 6 ASN : amide:sc= -0.0395 X(o=-0.039,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0373) USER MOD Single : A 9 GLN : amide:sc= -1.53 X(o=-1.5,f=-2) USER MOD Single : A 10 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.3!) USER MOD Single : A 11 ASN : amide:sc= 0.00153 X(o=0.0015,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.205 K(o=-0.2,f=-0.81) USER MOD Single : A 23 ASN : amide:sc= 0.233 K(o=0.23,f=-10!) USER MOD Single : A 32 GLN : amide:sc= -0.305 K(o=-0.31,f=-3.5!) USER MOD Single : A 33 SER OG : rot 5:sc= -0.317 USER MOD Single : A 35 LYS NZ :NH3+ 174:sc= 0.636 (180deg=0.554) USER MOD Single : A 39 SER OG : rot 46:sc= 0.159 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot -98:sc= 0.794 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.03! C(o=-1!,f=-11!) USER MOD Single : B 6 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.5!) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -53:sc= 0.482 USER MOD Single : B 27 LYS NZ :NH3+ 175:sc= 0.855 (180deg=0.822) USER MOD Single : B 28 LYS NZ :NH3+ -107:sc= 0.376 (180deg=-0.0721) USER MOD Single : B 33 SER OG : rot -19:sc= -0.053 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc=-0.00115 X(o=-0.0011,f=0) USER MOD Single : B 41 SER OG : rot 150:sc= -0.964 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -176:sc= -0.469 (180deg=-0.481) USER MOD Single : B 50 LYS NZ :NH3+ -144:sc= 0.315 (180deg=0.00383) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 4.739 -13.766 6.842 1.00 0.00 N ATOM 68 CA PHE A 5 4.656 -13.189 5.447 1.00 0.00 C ATOM 69 C PHE A 5 3.214 -12.858 5.017 1.00 0.00 C ATOM 70 O PHE A 5 3.015 -11.936 4.247 1.00 0.00 O ATOM 71 CB PHE A 5 5.263 -14.251 4.505 1.00 0.00 C ATOM 72 CG PHE A 5 6.717 -14.562 4.862 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.499 -13.659 5.613 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.281 -15.768 4.429 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.828 -13.971 5.919 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.609 -16.076 4.741 1.00 0.00 C ATOM 77 CZ PHE A 5 9.382 -15.176 5.485 1.00 0.00 C ATOM 0 HA PHE A 5 5.196 -12.243 5.410 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.672 -15.165 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.209 -13.897 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.072 -12.727 5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.689 -16.463 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.426 -13.278 6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.039 -17.009 4.408 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.408 -15.415 5.723 1.00 0.00 H new ATOM 87 N ASN A 6 2.214 -13.583 5.509 1.00 0.00 N ATOM 88 CA ASN A 6 0.786 -13.289 5.126 1.00 0.00 C ATOM 89 C ASN A 6 0.474 -11.795 5.353 1.00 0.00 C ATOM 90 O ASN A 6 0.124 -11.099 4.417 1.00 0.00 O ATOM 91 CB ASN A 6 -0.080 -14.177 6.033 1.00 0.00 C ATOM 92 CG ASN A 6 -1.423 -14.462 5.347 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.696 -15.583 4.971 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.274 -13.490 5.156 1.00 0.00 N ATOM 0 H ASN A 6 2.332 -14.362 6.157 1.00 0.00 H new ATOM 0 HA ASN A 6 0.593 -13.496 4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 6 0.438 -15.113 6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.247 -13.683 6.990 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.164 -13.675 4.693 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.049 -12.546 5.470 1.00 0.00 H new ATOM 101 N LYS A 7 0.649 -11.286 6.565 1.00 0.00 N ATOM 102 CA LYS A 7 0.407 -9.823 6.810 1.00 0.00 C ATOM 103 C LYS A 7 1.705 -9.012 6.662 1.00 0.00 C ATOM 104 O LYS A 7 1.636 -7.829 6.442 1.00 0.00 O ATOM 105 CB LYS A 7 -0.162 -9.679 8.221 1.00 0.00 C ATOM 106 CG LYS A 7 -0.163 -8.204 8.642 1.00 0.00 C ATOM 107 CD LYS A 7 -0.493 -8.117 10.114 1.00 0.00 C ATOM 108 CE LYS A 7 -0.238 -6.689 10.629 1.00 0.00 C ATOM 109 NZ LYS A 7 1.228 -6.616 10.925 1.00 0.00 N ATOM 0 H LYS A 7 0.946 -11.819 7.382 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.295 -9.433 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.177 -10.075 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.432 -10.265 8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.811 -7.755 8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.894 -7.645 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.535 -8.390 10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.115 -8.828 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.523 -5.948 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.828 -6.485 11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.368 -6.393 11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.672 -7.531 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.663 -5.873 10.342 1.00 0.00 H new ATOM 123 N GLU A 8 2.879 -9.615 6.755 1.00 0.00 N ATOM 124 CA GLU A 8 4.141 -8.813 6.566 1.00 0.00 C ATOM 125 C GLU A 8 4.078 -8.161 5.191 1.00 0.00 C ATOM 126 O GLU A 8 4.430 -7.017 5.041 1.00 0.00 O ATOM 127 CB GLU A 8 5.327 -9.771 6.637 1.00 0.00 C ATOM 128 CG GLU A 8 5.587 -10.193 8.086 1.00 0.00 C ATOM 129 CD GLU A 8 6.014 -8.981 8.928 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.060 -8.416 8.640 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.285 -8.638 9.843 1.00 0.00 O ATOM 0 H GLU A 8 3.015 -10.607 6.950 1.00 0.00 H new ATOM 0 HA GLU A 8 4.248 -8.046 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.129 -10.651 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.215 -9.291 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.687 -10.639 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.364 -10.956 8.115 1.00 0.00 H new ATOM 138 N GLN A 9 3.547 -8.873 4.207 1.00 0.00 N ATOM 139 CA GLN A 9 3.358 -8.267 2.858 1.00 0.00 C ATOM 140 C GLN A 9 2.313 -7.142 2.982 1.00 0.00 C ATOM 141 O GLN A 9 2.461 -6.093 2.413 1.00 0.00 O ATOM 142 CB GLN A 9 2.816 -9.369 1.942 1.00 0.00 C ATOM 143 CG GLN A 9 3.858 -10.450 1.675 1.00 0.00 C ATOM 144 CD GLN A 9 3.199 -11.570 0.864 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.640 -12.492 1.424 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.230 -11.527 -0.443 1.00 0.00 N ATOM 0 H GLN A 9 3.242 -9.843 4.292 1.00 0.00 H new ATOM 0 HA GLN A 9 4.288 -7.861 2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.934 -9.819 2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.497 -8.931 0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.704 -10.034 1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.247 -10.841 2.615 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.698 -10.755 -0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.786 -12.266 -0.988 1.00 0.00 H new ATOM 155 N GLN A 10 1.274 -7.373 3.770 1.00 0.00 N ATOM 156 CA GLN A 10 0.198 -6.344 4.018 1.00 0.00 C ATOM 157 C GLN A 10 0.790 -5.114 4.718 1.00 0.00 C ATOM 158 O GLN A 10 0.566 -3.992 4.304 1.00 0.00 O ATOM 159 CB GLN A 10 -0.788 -7.047 4.961 1.00 0.00 C ATOM 160 CG GLN A 10 -2.199 -7.031 4.375 1.00 0.00 C ATOM 161 CD GLN A 10 -2.480 -8.332 3.599 1.00 0.00 C ATOM 162 OE1 GLN A 10 -1.824 -9.334 3.798 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.443 -8.370 2.730 1.00 0.00 N ATOM 0 H GLN A 10 1.126 -8.254 4.262 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.267 -6.000 3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.469 -8.076 5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.786 -6.552 5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.929 -6.914 5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.313 -6.174 3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.003 -7.536 2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.640 -9.234 2.225 1.00 0.00 H new ATOM 172 N ASN A 11 1.549 -5.333 5.774 1.00 0.00 N ATOM 173 CA ASN A 11 2.185 -4.209 6.526 1.00 0.00 C ATOM 174 C ASN A 11 3.275 -3.568 5.668 1.00 0.00 C ATOM 175 O ASN A 11 3.362 -2.366 5.590 1.00 0.00 O ATOM 176 CB ASN A 11 2.802 -4.843 7.780 1.00 0.00 C ATOM 177 CG ASN A 11 3.092 -3.752 8.817 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.188 -3.241 9.447 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.325 -3.368 9.019 1.00 0.00 N ATOM 0 H ASN A 11 1.754 -6.260 6.147 1.00 0.00 H new ATOM 0 HA ASN A 11 1.466 -3.432 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.121 -5.584 8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.722 -5.366 7.520 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.527 -2.640 9.705 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.085 -3.796 8.491 1.00 0.00 H new ATOM 186 N ALA A 12 4.091 -4.375 5.011 1.00 0.00 N ATOM 187 CA ALA A 12 5.166 -3.825 4.127 1.00 0.00 C ATOM 188 C ALA A 12 4.521 -3.067 2.974 1.00 0.00 C ATOM 189 O ALA A 12 4.927 -1.972 2.664 1.00 0.00 O ATOM 190 CB ALA A 12 5.945 -5.026 3.597 1.00 0.00 C ATOM 0 H ALA A 12 4.052 -5.393 5.054 1.00 0.00 H new ATOM 0 HA ALA A 12 5.824 -3.141 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.746 -4.681 2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.373 -5.580 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.274 -5.676 3.036 1.00 0.00 H new ATOM 196 N PHE A 13 3.486 -3.634 2.374 1.00 0.00 N ATOM 197 CA PHE A 13 2.758 -2.937 1.268 1.00 0.00 C ATOM 198 C PHE A 13 2.250 -1.607 1.806 1.00 0.00 C ATOM 199 O PHE A 13 2.573 -0.558 1.284 1.00 0.00 O ATOM 200 CB PHE A 13 1.568 -3.859 0.903 1.00 0.00 C ATOM 201 CG PHE A 13 0.590 -3.139 0.009 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.038 -2.514 -1.151 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.770 -3.132 0.327 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.132 -1.878 -1.991 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.680 -2.506 -0.519 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.229 -1.880 -1.674 1.00 0.00 C ATOM 0 H PHE A 13 3.119 -4.556 2.611 1.00 0.00 H new ATOM 0 HA PHE A 13 3.384 -2.747 0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.936 -4.754 0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.064 -4.187 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.089 -2.523 -1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.115 -3.613 1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.479 -1.384 -2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.733 -2.507 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.934 -1.392 -2.331 1.00 0.00 H new ATOM 216 N TYR A 14 1.481 -1.670 2.873 1.00 0.00 N ATOM 217 CA TYR A 14 0.935 -0.441 3.510 1.00 0.00 C ATOM 218 C TYR A 14 2.057 0.554 3.832 1.00 0.00 C ATOM 219 O TYR A 14 1.996 1.692 3.433 1.00 0.00 O ATOM 220 CB TYR A 14 0.299 -0.928 4.796 1.00 0.00 C ATOM 221 CG TYR A 14 -0.336 0.242 5.484 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.590 0.688 5.076 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.333 0.884 6.532 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.175 1.748 5.704 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.261 1.968 7.170 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.522 2.404 6.761 1.00 0.00 C ATOM 227 OH TYR A 14 -2.122 3.486 7.385 1.00 0.00 O ATOM 0 H TYR A 14 1.209 -2.540 3.330 1.00 0.00 H new ATOM 0 HA TYR A 14 0.232 0.076 2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.447 -1.693 4.583 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.050 -1.385 5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.100 0.194 4.262 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.308 0.539 6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.150 2.086 5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.251 2.470 7.978 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.290 4.192 6.726 1.00 0.00 H new ATOM 237 N GLU A 15 3.082 0.122 4.544 1.00 0.00 N ATOM 238 CA GLU A 15 4.207 1.049 4.890 1.00 0.00 C ATOM 239 C GLU A 15 4.867 1.574 3.609 1.00 0.00 C ATOM 240 O GLU A 15 5.117 2.749 3.512 1.00 0.00 O ATOM 241 CB GLU A 15 5.187 0.243 5.745 1.00 0.00 C ATOM 242 CG GLU A 15 4.598 0.017 7.156 1.00 0.00 C ATOM 243 CD GLU A 15 5.687 0.170 8.233 1.00 0.00 C ATOM 244 OE1 GLU A 15 6.433 1.140 8.185 1.00 0.00 O ATOM 245 OE2 GLU A 15 5.745 -0.678 9.107 1.00 0.00 O ATOM 0 H GLU A 15 3.183 -0.830 4.897 1.00 0.00 H new ATOM 0 HA GLU A 15 3.859 1.922 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.392 -0.716 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.137 0.772 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.796 0.732 7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.158 -0.978 7.216 1.00 0.00 H new ATOM 252 N ILE A 16 5.089 0.732 2.603 1.00 0.00 N ATOM 253 CA ILE A 16 5.671 1.237 1.299 1.00 0.00 C ATOM 254 C ILE A 16 4.798 2.408 0.788 1.00 0.00 C ATOM 255 O ILE A 16 5.306 3.452 0.416 1.00 0.00 O ATOM 256 CB ILE A 16 5.668 0.011 0.347 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.006 -0.719 0.521 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.494 0.422 -1.125 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.799 -2.226 0.443 1.00 0.00 C ATOM 0 H ILE A 16 4.894 -0.269 2.630 1.00 0.00 H new ATOM 0 HA ILE A 16 6.685 1.628 1.387 1.00 0.00 H new ATOM 0 HB ILE A 16 4.826 -0.632 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.705 -0.400 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.450 -0.455 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.498 -0.468 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.547 0.948 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.314 1.078 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.756 -2.732 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.117 -2.541 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.376 -2.485 -0.527 1.00 0.00 H new ATOM 271 N LEU A 17 3.490 2.235 0.818 1.00 0.00 N ATOM 272 CA LEU A 17 2.547 3.340 0.389 1.00 0.00 C ATOM 273 C LEU A 17 2.523 4.495 1.422 1.00 0.00 C ATOM 274 O LEU A 17 2.361 5.642 1.065 1.00 0.00 O ATOM 275 CB LEU A 17 1.142 2.722 0.330 1.00 0.00 C ATOM 276 CG LEU A 17 1.086 1.563 -0.665 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.352 0.395 -0.051 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.306 1.948 -1.894 1.00 0.00 C ATOM 0 H LEU A 17 3.031 1.376 1.121 1.00 0.00 H new ATOM 0 HA LEU A 17 2.870 3.746 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.856 2.368 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.418 3.485 0.044 1.00 0.00 H new ATOM 0 HG LEU A 17 2.114 1.308 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.315 -0.428 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.873 0.071 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.663 0.698 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.280 1.107 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.712 2.215 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.784 2.801 -2.376 1.00 0.00 H new ATOM 290 N HIS A 18 2.639 4.195 2.703 1.00 0.00 N ATOM 291 CA HIS A 18 2.577 5.271 3.759 1.00 0.00 C ATOM 292 C HIS A 18 3.968 5.860 4.110 1.00 0.00 C ATOM 293 O HIS A 18 4.048 6.751 4.942 1.00 0.00 O ATOM 294 CB HIS A 18 1.927 4.601 4.989 1.00 0.00 C ATOM 295 CG HIS A 18 0.440 4.423 4.753 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.280 3.445 4.114 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.506 5.348 5.177 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.618 3.766 4.124 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.714 4.892 4.778 1.00 0.00 N flip ATOM 0 H HIS A 18 2.774 3.250 3.063 1.00 0.00 H new ATOM 0 HA HIS A 18 2.002 6.124 3.400 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.393 3.633 5.176 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.093 5.211 5.877 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.118 2.605 3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.312 6.260 5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.425 3.201 3.681 1.00 0.00 H new ATOM 307 N LEU A 19 5.057 5.411 3.488 1.00 0.00 N ATOM 308 CA LEU A 19 6.410 6.002 3.807 1.00 0.00 C ATOM 309 C LEU A 19 6.457 7.439 3.237 1.00 0.00 C ATOM 310 O LEU A 19 6.147 7.643 2.073 1.00 0.00 O ATOM 311 CB LEU A 19 7.470 5.109 3.126 1.00 0.00 C ATOM 312 CG LEU A 19 7.829 3.897 4.014 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.631 2.887 3.182 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.673 4.330 5.227 1.00 0.00 C ATOM 0 H LEU A 19 5.062 4.672 2.785 1.00 0.00 H new ATOM 0 HA LEU A 19 6.598 6.044 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.093 4.760 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.367 5.694 2.924 1.00 0.00 H new ATOM 0 HG LEU A 19 6.905 3.447 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.889 2.028 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.031 2.556 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.544 3.359 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.911 3.457 5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.596 4.794 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.109 5.046 5.825 1.00 0.00 H new ATOM 326 N PRO A 20 6.808 8.396 4.084 1.00 0.00 N ATOM 327 CA PRO A 20 6.850 9.837 3.669 1.00 0.00 C ATOM 328 C PRO A 20 7.878 10.158 2.556 1.00 0.00 C ATOM 329 O PRO A 20 7.773 11.205 1.940 1.00 0.00 O ATOM 330 CB PRO A 20 7.198 10.572 4.967 1.00 0.00 C ATOM 331 CG PRO A 20 7.879 9.550 5.810 1.00 0.00 C ATOM 332 CD PRO A 20 7.204 8.243 5.497 1.00 0.00 C ATOM 0 HA PRO A 20 5.902 10.137 3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.849 11.425 4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.303 10.956 5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.944 9.504 5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.788 9.793 6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.879 7.398 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.341 8.072 6.140 1.00 0.00 H new ATOM 340 N ASN A 21 8.858 9.306 2.285 1.00 0.00 N ATOM 341 CA ASN A 21 9.853 9.634 1.206 1.00 0.00 C ATOM 342 C ASN A 21 9.850 8.577 0.079 1.00 0.00 C ATOM 343 O ASN A 21 10.723 8.596 -0.775 1.00 0.00 O ATOM 344 CB ASN A 21 11.214 9.706 1.915 1.00 0.00 C ATOM 345 CG ASN A 21 11.208 10.855 2.933 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.363 12.003 2.570 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.025 10.596 4.200 1.00 0.00 N ATOM 0 H ASN A 21 9.005 8.415 2.759 1.00 0.00 H new ATOM 0 HA ASN A 21 9.609 10.574 0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.423 8.762 2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.008 9.859 1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.013 11.357 4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.894 9.633 4.510 1.00 0.00 H new ATOM 354 N LEU A 22 8.863 7.687 0.033 1.00 0.00 N ATOM 355 CA LEU A 22 8.809 6.682 -1.078 1.00 0.00 C ATOM 356 C LEU A 22 8.005 7.261 -2.240 1.00 0.00 C ATOM 357 O LEU A 22 6.945 7.839 -2.050 1.00 0.00 O ATOM 358 CB LEU A 22 8.121 5.410 -0.529 1.00 0.00 C ATOM 359 CG LEU A 22 9.129 4.429 0.125 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.662 2.993 -0.116 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.526 4.569 -0.473 1.00 0.00 C ATOM 0 H LEU A 22 8.106 7.622 0.714 1.00 0.00 H new ATOM 0 HA LEU A 22 9.809 6.439 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.368 5.696 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.599 4.903 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 22 9.173 4.664 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.367 2.299 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.676 2.852 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.610 2.802 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.202 3.865 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.487 4.357 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.888 5.585 -0.317 1.00 0.00 H new ATOM 373 N ASN A 23 8.507 7.104 -3.441 1.00 0.00 N ATOM 374 CA ASN A 23 7.791 7.639 -4.645 1.00 0.00 C ATOM 375 C ASN A 23 7.247 6.502 -5.506 1.00 0.00 C ATOM 376 O ASN A 23 7.248 5.353 -5.109 1.00 0.00 O ATOM 377 CB ASN A 23 8.819 8.489 -5.429 1.00 0.00 C ATOM 378 CG ASN A 23 9.952 7.630 -6.030 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.282 6.573 -5.528 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.569 8.051 -7.101 1.00 0.00 N ATOM 0 H ASN A 23 9.386 6.626 -3.641 1.00 0.00 H new ATOM 0 HA ASN A 23 6.932 8.243 -4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.309 9.025 -6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.248 9.240 -4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.320 7.494 -7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.300 8.936 -7.530 1.00 0.00 H new ATOM 387 N GLU A 24 6.777 6.829 -6.680 1.00 0.00 N ATOM 388 CA GLU A 24 6.211 5.789 -7.604 1.00 0.00 C ATOM 389 C GLU A 24 7.292 4.775 -8.032 1.00 0.00 C ATOM 390 O GLU A 24 7.010 3.614 -8.205 1.00 0.00 O ATOM 391 CB GLU A 24 5.646 6.567 -8.815 1.00 0.00 C ATOM 392 CG GLU A 24 6.776 7.213 -9.637 1.00 0.00 C ATOM 393 CD GLU A 24 6.177 8.119 -10.716 1.00 0.00 C ATOM 394 OE1 GLU A 24 5.811 7.602 -11.760 1.00 0.00 O ATOM 395 OE2 GLU A 24 6.097 9.313 -10.481 1.00 0.00 O ATOM 0 H GLU A 24 6.759 7.781 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 24 5.433 5.201 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.072 5.891 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.959 7.338 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.429 7.792 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.391 6.440 -10.098 1.00 0.00 H new ATOM 402 N GLU A 25 8.528 5.190 -8.184 1.00 0.00 N ATOM 403 CA GLU A 25 9.593 4.212 -8.583 1.00 0.00 C ATOM 404 C GLU A 25 9.818 3.189 -7.452 1.00 0.00 C ATOM 405 O GLU A 25 9.777 1.987 -7.674 1.00 0.00 O ATOM 406 CB GLU A 25 10.857 5.057 -8.803 1.00 0.00 C ATOM 407 CG GLU A 25 12.008 4.169 -9.298 1.00 0.00 C ATOM 408 CD GLU A 25 13.325 4.951 -9.240 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.799 5.196 -8.140 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.837 5.292 -10.293 1.00 0.00 O ATOM 0 H GLU A 25 8.844 6.151 -8.051 1.00 0.00 H new ATOM 0 HA GLU A 25 9.323 3.650 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.656 5.843 -9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.141 5.549 -7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.079 3.272 -8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.814 3.840 -10.319 1.00 0.00 H new ATOM 417 N GLN A 26 10.051 3.670 -6.247 1.00 0.00 N ATOM 418 CA GLN A 26 10.308 2.755 -5.082 1.00 0.00 C ATOM 419 C GLN A 26 9.023 2.067 -4.593 1.00 0.00 C ATOM 420 O GLN A 26 8.983 0.856 -4.504 1.00 0.00 O ATOM 421 CB GLN A 26 10.908 3.645 -3.975 1.00 0.00 C ATOM 422 CG GLN A 26 12.174 4.377 -4.479 1.00 0.00 C ATOM 423 CD GLN A 26 13.369 3.415 -4.633 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.209 2.249 -4.935 1.00 0.00 O ATOM 425 NE2 GLN A 26 14.578 3.867 -4.437 1.00 0.00 N ATOM 0 H GLN A 26 10.074 4.664 -6.021 1.00 0.00 H new ATOM 0 HA GLN A 26 10.983 1.948 -5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.167 4.375 -3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.158 3.034 -3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.963 4.850 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.436 5.173 -3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.722 4.844 -4.183 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.378 3.243 -4.538 1.00 0.00 H new ATOM 434 N ARG A 27 7.989 2.822 -4.261 1.00 0.00 N ATOM 435 CA ARG A 27 6.716 2.198 -3.742 1.00 0.00 C ATOM 436 C ARG A 27 6.082 1.203 -4.739 1.00 0.00 C ATOM 437 O ARG A 27 5.680 0.121 -4.354 1.00 0.00 O ATOM 438 CB ARG A 27 5.722 3.359 -3.533 1.00 0.00 C ATOM 439 CG ARG A 27 4.342 2.821 -3.125 1.00 0.00 C ATOM 440 CD ARG A 27 3.311 3.950 -3.169 1.00 0.00 C ATOM 441 NE ARG A 27 3.025 4.174 -4.621 1.00 0.00 N ATOM 442 CZ ARG A 27 3.057 5.383 -5.137 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.136 6.121 -5.028 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.007 5.855 -5.761 1.00 0.00 N ATOM 0 H ARG A 27 7.972 3.840 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 27 6.942 1.642 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.098 4.033 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.635 3.940 -4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.042 2.016 -3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.389 2.398 -2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.405 3.676 -2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.700 4.855 -2.701 1.00 0.00 H new ATOM 0 HE ARG A 27 2.802 3.378 -5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.955 5.758 -4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.156 7.058 -5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.165 5.285 -5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.031 6.793 -6.162 1.00 0.00 H new ATOM 458 N ASN A 28 5.949 1.582 -6.003 1.00 0.00 N ATOM 459 CA ASN A 28 5.282 0.668 -7.003 1.00 0.00 C ATOM 460 C ASN A 28 6.139 -0.576 -7.231 1.00 0.00 C ATOM 461 O ASN A 28 5.623 -1.681 -7.247 1.00 0.00 O ATOM 462 CB ASN A 28 5.131 1.449 -8.320 1.00 0.00 C ATOM 463 CG ASN A 28 4.429 2.809 -8.138 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.017 3.177 -7.054 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.287 3.587 -9.176 1.00 0.00 N ATOM 0 H ASN A 28 6.270 2.474 -6.379 1.00 0.00 H new ATOM 0 HA ASN A 28 4.308 0.347 -6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.117 1.611 -8.755 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.565 0.846 -9.030 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.834 4.495 -9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.629 3.287 -10.089 1.00 0.00 H new ATOM 472 N ALA A 29 7.449 -0.410 -7.371 1.00 0.00 N ATOM 473 CA ALA A 29 8.346 -1.604 -7.556 1.00 0.00 C ATOM 474 C ALA A 29 8.250 -2.512 -6.332 1.00 0.00 C ATOM 475 O ALA A 29 8.261 -3.723 -6.451 1.00 0.00 O ATOM 476 CB ALA A 29 9.751 -1.051 -7.646 1.00 0.00 C ATOM 0 H ALA A 29 7.925 0.492 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 29 8.070 -2.180 -8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.457 -1.871 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.820 -0.369 -8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.990 -0.514 -6.728 1.00 0.00 H new ATOM 482 N PHE A 30 8.140 -1.918 -5.158 1.00 0.00 N ATOM 483 CA PHE A 30 8.014 -2.715 -3.902 1.00 0.00 C ATOM 484 C PHE A 30 6.764 -3.543 -3.931 1.00 0.00 C ATOM 485 O PHE A 30 6.794 -4.697 -3.613 1.00 0.00 O ATOM 486 CB PHE A 30 7.938 -1.696 -2.772 1.00 0.00 C ATOM 487 CG PHE A 30 9.332 -1.253 -2.394 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.437 -2.089 -2.634 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.519 -0.017 -1.785 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.700 -1.694 -2.263 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.797 0.382 -1.420 1.00 0.00 C ATOM 492 CZ PHE A 30 11.886 -0.469 -1.658 1.00 0.00 C ATOM 0 H PHE A 30 8.133 -0.907 -5.024 1.00 0.00 H new ATOM 0 HA PHE A 30 8.854 -3.399 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.344 -0.836 -3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.438 -2.133 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.292 -3.046 -3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.674 0.629 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.545 -2.342 -2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.952 1.344 -0.954 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.879 -0.162 -1.365 1.00 0.00 H new ATOM 502 N ILE A 31 5.680 -2.963 -4.347 1.00 0.00 N ATOM 503 CA ILE A 31 4.407 -3.724 -4.445 1.00 0.00 C ATOM 504 C ILE A 31 4.562 -4.836 -5.501 1.00 0.00 C ATOM 505 O ILE A 31 3.971 -5.883 -5.363 1.00 0.00 O ATOM 506 CB ILE A 31 3.365 -2.662 -4.794 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.272 -1.695 -3.606 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.016 -3.313 -5.028 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.587 -0.407 -4.018 1.00 0.00 C ATOM 0 H ILE A 31 5.619 -1.984 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 31 4.111 -4.245 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 31 3.653 -2.133 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.719 -2.163 -2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.271 -1.477 -3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.281 -2.548 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.093 -4.023 -5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.703 -3.837 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.531 0.265 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.157 0.069 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.580 -0.628 -4.373 1.00 0.00 H new ATOM 521 N GLN A 32 5.400 -4.642 -6.517 1.00 0.00 N ATOM 522 CA GLN A 32 5.629 -5.736 -7.526 1.00 0.00 C ATOM 523 C GLN A 32 6.507 -6.844 -6.890 1.00 0.00 C ATOM 524 O GLN A 32 6.180 -8.013 -6.970 1.00 0.00 O ATOM 525 CB GLN A 32 6.328 -5.065 -8.718 1.00 0.00 C ATOM 526 CG GLN A 32 5.338 -4.108 -9.404 1.00 0.00 C ATOM 527 CD GLN A 32 6.003 -3.411 -10.597 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.107 -2.912 -10.494 1.00 0.00 O ATOM 529 NE2 GLN A 32 5.369 -3.353 -11.737 1.00 0.00 N ATOM 0 H GLN A 32 5.924 -3.783 -6.682 1.00 0.00 H new ATOM 0 HA GLN A 32 4.704 -6.213 -7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.208 -4.518 -8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.674 -5.819 -9.425 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.462 -4.662 -9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.988 -3.363 -8.689 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.443 -3.770 -11.827 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.800 -2.890 -12.537 1.00 0.00 H new ATOM 538 N SER A 33 7.587 -6.469 -6.214 1.00 0.00 N ATOM 539 CA SER A 33 8.475 -7.476 -5.513 1.00 0.00 C ATOM 540 C SER A 33 7.760 -8.086 -4.285 1.00 0.00 C ATOM 541 O SER A 33 8.004 -9.215 -3.914 1.00 0.00 O ATOM 542 CB SER A 33 9.725 -6.693 -5.087 1.00 0.00 C ATOM 543 OG SER A 33 9.348 -5.528 -4.366 1.00 0.00 O ATOM 0 H SER A 33 7.891 -5.500 -6.119 1.00 0.00 H new ATOM 0 HA SER A 33 8.726 -8.312 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.365 -7.322 -4.468 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.306 -6.414 -5.966 1.00 0.00 H new ATOM 0 HG SER A 33 8.378 -5.528 -4.229 1.00 0.00 H new ATOM 549 N LEU A 34 6.890 -7.322 -3.662 1.00 0.00 N ATOM 550 CA LEU A 34 6.135 -7.781 -2.449 1.00 0.00 C ATOM 551 C LEU A 34 4.944 -8.686 -2.838 1.00 0.00 C ATOM 552 O LEU A 34 4.726 -9.710 -2.216 1.00 0.00 O ATOM 553 CB LEU A 34 5.677 -6.453 -1.812 1.00 0.00 C ATOM 554 CG LEU A 34 4.984 -6.659 -0.469 1.00 0.00 C ATOM 555 CD1 LEU A 34 6.002 -6.939 0.612 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.237 -5.385 -0.105 1.00 0.00 C ATOM 0 H LEU A 34 6.666 -6.371 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 34 6.728 -8.392 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.541 -5.802 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.997 -5.942 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 34 4.300 -7.504 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.491 -7.084 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.562 -7.840 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.688 -6.096 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.736 -5.518 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.943 -4.557 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.496 -5.165 -0.874 1.00 0.00 H new ATOM 568 N LYS A 35 4.174 -8.315 -3.857 1.00 0.00 N ATOM 569 CA LYS A 35 2.989 -9.156 -4.283 1.00 0.00 C ATOM 570 C LYS A 35 3.453 -10.506 -4.863 1.00 0.00 C ATOM 571 O LYS A 35 2.778 -11.508 -4.701 1.00 0.00 O ATOM 572 CB LYS A 35 2.205 -8.319 -5.327 1.00 0.00 C ATOM 573 CG LYS A 35 1.119 -7.509 -4.633 1.00 0.00 C ATOM 574 CD LYS A 35 -0.202 -7.676 -5.373 1.00 0.00 C ATOM 575 CE LYS A 35 -1.359 -7.636 -4.366 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.852 -9.043 -4.260 1.00 0.00 N ATOM 0 H LYS A 35 4.317 -7.469 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 35 2.350 -9.398 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.886 -7.652 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.759 -8.977 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.011 -7.838 -3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.400 -6.456 -4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.321 -6.883 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.210 -8.621 -5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.023 -7.265 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.151 -6.968 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.574 -9.103 -3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.268 -9.335 -5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.058 -9.672 -4.025 1.00 0.00 H new ATOM 590 N ASP A 36 4.600 -10.541 -5.519 1.00 0.00 N ATOM 591 CA ASP A 36 5.114 -11.833 -6.093 1.00 0.00 C ATOM 592 C ASP A 36 6.041 -12.577 -5.101 1.00 0.00 C ATOM 593 O ASP A 36 6.121 -13.794 -5.143 1.00 0.00 O ATOM 594 CB ASP A 36 5.871 -11.440 -7.371 1.00 0.00 C ATOM 595 CG ASP A 36 4.870 -11.011 -8.457 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.313 -11.887 -9.102 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.673 -9.818 -8.622 1.00 0.00 O ATOM 0 H ASP A 36 5.199 -9.731 -5.680 1.00 0.00 H new ATOM 0 HA ASP A 36 4.297 -12.524 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.563 -10.625 -7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.467 -12.281 -7.725 1.00 0.00 H new ATOM 602 N ASP A 37 6.735 -11.872 -4.211 1.00 0.00 N ATOM 603 CA ASP A 37 7.646 -12.564 -3.227 1.00 0.00 C ATOM 604 C ASP A 37 7.214 -12.277 -1.769 1.00 0.00 C ATOM 605 O ASP A 37 7.530 -11.228 -1.226 1.00 0.00 O ATOM 606 CB ASP A 37 9.055 -12.009 -3.498 1.00 0.00 C ATOM 607 CG ASP A 37 10.105 -13.021 -3.017 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.235 -13.193 -1.813 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.760 -13.607 -3.860 1.00 0.00 O ATOM 0 H ASP A 37 6.706 -10.856 -4.129 1.00 0.00 H new ATOM 0 HA ASP A 37 7.610 -13.646 -3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.182 -11.815 -4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.188 -11.058 -2.983 1.00 0.00 H new ATOM 614 N PRO A 38 6.503 -13.228 -1.180 1.00 0.00 N ATOM 615 CA PRO A 38 6.026 -13.087 0.232 1.00 0.00 C ATOM 616 C PRO A 38 7.183 -13.146 1.257 1.00 0.00 C ATOM 617 O PRO A 38 7.138 -12.466 2.265 1.00 0.00 O ATOM 618 CB PRO A 38 5.092 -14.286 0.407 1.00 0.00 C ATOM 619 CG PRO A 38 5.570 -15.291 -0.581 1.00 0.00 C ATOM 620 CD PRO A 38 6.064 -14.511 -1.762 1.00 0.00 C ATOM 0 HA PRO A 38 5.546 -12.124 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.138 -14.678 1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.055 -14.009 0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.366 -15.905 -0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.765 -15.967 -0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.884 -15.023 -2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.277 -14.366 -2.502 1.00 0.00 H new ATOM 628 N SER A 39 8.196 -13.963 1.016 1.00 0.00 N ATOM 629 CA SER A 39 9.343 -14.082 1.991 1.00 0.00 C ATOM 630 C SER A 39 10.152 -12.779 2.096 1.00 0.00 C ATOM 631 O SER A 39 10.577 -12.409 3.179 1.00 0.00 O ATOM 632 CB SER A 39 10.220 -15.220 1.457 1.00 0.00 C ATOM 633 OG SER A 39 11.180 -15.580 2.447 1.00 0.00 O ATOM 0 H SER A 39 8.277 -14.551 0.187 1.00 0.00 H new ATOM 0 HA SER A 39 8.975 -14.282 2.997 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.603 -16.081 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.724 -14.908 0.542 1.00 0.00 H new ATOM 0 HG SER A 39 10.739 -15.654 3.319 1.00 0.00 H new ATOM 639 N GLN A 40 10.362 -12.077 0.998 1.00 0.00 N ATOM 640 CA GLN A 40 11.141 -10.796 1.059 1.00 0.00 C ATOM 641 C GLN A 40 10.240 -9.610 1.458 1.00 0.00 C ATOM 642 O GLN A 40 10.697 -8.492 1.460 1.00 0.00 O ATOM 643 CB GLN A 40 11.690 -10.581 -0.363 1.00 0.00 C ATOM 644 CG GLN A 40 13.051 -9.875 -0.295 1.00 0.00 C ATOM 645 CD GLN A 40 14.151 -10.901 0.003 1.00 0.00 C ATOM 646 OE1 GLN A 40 14.616 -11.584 -0.888 1.00 0.00 O ATOM 647 NE2 GLN A 40 14.585 -11.049 1.228 1.00 0.00 N ATOM 0 H GLN A 40 10.028 -12.337 0.070 1.00 0.00 H new ATOM 0 HA GLN A 40 11.932 -10.854 1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.793 -11.540 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.989 -9.984 -0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.257 -9.370 -1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.036 -9.108 0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.197 -10.478 1.979 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.311 -11.736 1.432 1.00 0.00 H new ATOM 656 N SER A 41 8.968 -9.833 1.771 1.00 0.00 N ATOM 657 CA SER A 41 8.052 -8.690 2.123 1.00 0.00 C ATOM 658 C SER A 41 8.574 -7.847 3.293 1.00 0.00 C ATOM 659 O SER A 41 8.575 -6.632 3.199 1.00 0.00 O ATOM 660 CB SER A 41 6.701 -9.332 2.471 1.00 0.00 C ATOM 661 OG SER A 41 6.801 -10.082 3.679 1.00 0.00 O ATOM 0 H SER A 41 8.533 -10.755 1.796 1.00 0.00 H new ATOM 0 HA SER A 41 7.976 -7.996 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.941 -8.558 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.381 -9.983 1.657 1.00 0.00 H new ATOM 0 HG SER A 41 6.932 -11.030 3.466 1.00 0.00 H new ATOM 667 N ALA A 42 9.035 -8.448 4.376 1.00 0.00 N ATOM 668 CA ALA A 42 9.579 -7.606 5.500 1.00 0.00 C ATOM 669 C ALA A 42 10.808 -6.851 5.000 1.00 0.00 C ATOM 670 O ALA A 42 10.927 -5.662 5.206 1.00 0.00 O ATOM 671 CB ALA A 42 10.011 -8.555 6.584 1.00 0.00 C ATOM 0 H ALA A 42 9.058 -9.456 4.527 1.00 0.00 H new ATOM 0 HA ALA A 42 8.834 -6.897 5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.414 -7.989 7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.154 -9.140 6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.778 -9.225 6.196 1.00 0.00 H new ATOM 677 N ASN A 43 11.698 -7.546 4.303 1.00 0.00 N ATOM 678 CA ASN A 43 12.909 -6.888 3.718 1.00 0.00 C ATOM 679 C ASN A 43 12.459 -5.768 2.798 1.00 0.00 C ATOM 680 O ASN A 43 13.079 -4.748 2.746 1.00 0.00 O ATOM 681 CB ASN A 43 13.613 -7.939 2.870 1.00 0.00 C ATOM 682 CG ASN A 43 14.923 -8.373 3.539 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.969 -8.338 2.923 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.914 -8.788 4.779 1.00 0.00 N ATOM 0 H ASN A 43 11.627 -8.547 4.119 1.00 0.00 H new ATOM 0 HA ASN A 43 13.559 -6.492 4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.962 -8.803 2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.819 -7.537 1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.783 -9.081 5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.038 -8.819 5.300 1.00 0.00 H new ATOM 691 N LEU A 44 11.366 -5.978 2.083 1.00 0.00 N ATOM 692 CA LEU A 44 10.828 -4.931 1.162 1.00 0.00 C ATOM 693 C LEU A 44 10.397 -3.734 1.943 1.00 0.00 C ATOM 694 O LEU A 44 10.691 -2.621 1.560 1.00 0.00 O ATOM 695 CB LEU A 44 9.660 -5.559 0.439 1.00 0.00 C ATOM 696 CG LEU A 44 10.229 -6.445 -0.639 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.092 -7.218 -1.279 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.962 -5.559 -1.647 1.00 0.00 C ATOM 0 H LEU A 44 10.825 -6.842 2.105 1.00 0.00 H new ATOM 0 HA LEU A 44 11.583 -4.593 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.046 -6.138 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.017 -4.792 0.007 1.00 0.00 H new ATOM 0 HG LEU A 44 10.940 -7.167 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.487 -7.865 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.595 -7.826 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.376 -6.520 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.383 -6.179 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.262 -4.844 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.764 -5.021 -1.142 1.00 0.00 H new ATOM 710 N LEU A 45 9.757 -3.940 3.063 1.00 0.00 N ATOM 711 CA LEU A 45 9.409 -2.762 3.883 1.00 0.00 C ATOM 712 C LEU A 45 10.708 -2.190 4.450 1.00 0.00 C ATOM 713 O LEU A 45 10.905 -1.013 4.422 1.00 0.00 O ATOM 714 CB LEU A 45 8.487 -3.232 4.979 1.00 0.00 C ATOM 715 CG LEU A 45 8.306 -2.111 6.002 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.980 -0.781 5.288 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.182 -2.506 6.947 1.00 0.00 C ATOM 0 H LEU A 45 9.470 -4.847 3.431 1.00 0.00 H new ATOM 0 HA LEU A 45 8.907 -1.984 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.522 -3.517 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.899 -4.118 5.462 1.00 0.00 H new ATOM 0 HG LEU A 45 9.227 -1.965 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.854 0.008 6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.797 -0.520 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.059 -0.892 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.035 -1.719 7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.262 -2.647 6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.442 -3.436 7.453 1.00 0.00 H new ATOM 729 N ALA A 46 11.599 -3.032 4.935 1.00 0.00 N ATOM 730 CA ALA A 46 12.915 -2.526 5.464 1.00 0.00 C ATOM 731 C ALA A 46 13.651 -1.732 4.387 1.00 0.00 C ATOM 732 O ALA A 46 14.134 -0.663 4.657 1.00 0.00 O ATOM 733 CB ALA A 46 13.739 -3.764 5.766 1.00 0.00 C ATOM 0 H ALA A 46 11.473 -4.043 4.987 1.00 0.00 H new ATOM 0 HA ALA A 46 12.762 -1.886 6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.713 -3.467 6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.222 -4.373 6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.875 -4.342 4.852 1.00 0.00 H new ATOM 739 N GLU A 47 13.715 -2.245 3.166 1.00 0.00 N ATOM 740 CA GLU A 47 14.396 -1.494 2.066 1.00 0.00 C ATOM 741 C GLU A 47 13.544 -0.273 1.719 1.00 0.00 C ATOM 742 O GLU A 47 14.082 0.783 1.468 1.00 0.00 O ATOM 743 CB GLU A 47 14.622 -2.453 0.879 1.00 0.00 C ATOM 744 CG GLU A 47 13.347 -3.043 0.334 1.00 0.00 C ATOM 745 CD GLU A 47 13.711 -4.220 -0.582 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.906 -3.995 -1.763 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.806 -5.330 -0.079 1.00 0.00 O ATOM 0 H GLU A 47 13.324 -3.147 2.895 1.00 0.00 H new ATOM 0 HA GLU A 47 15.378 -1.125 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.135 -1.917 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.281 -3.261 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.707 -3.380 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.787 -2.290 -0.220 1.00 0.00 H new ATOM 754 N ALA A 48 12.220 -0.380 1.768 1.00 0.00 N ATOM 755 CA ALA A 48 11.373 0.815 1.531 1.00 0.00 C ATOM 756 C ALA A 48 11.584 1.837 2.661 1.00 0.00 C ATOM 757 O ALA A 48 11.642 3.027 2.417 1.00 0.00 O ATOM 758 CB ALA A 48 9.958 0.274 1.568 1.00 0.00 C ATOM 0 H ALA A 48 11.711 -1.243 1.961 1.00 0.00 H new ATOM 0 HA ALA A 48 11.603 1.323 0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.253 1.088 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.835 -0.478 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.767 -0.178 2.541 1.00 0.00 H new ATOM 764 N LYS A 49 11.745 1.363 3.887 1.00 0.00 N ATOM 765 CA LYS A 49 12.007 2.267 5.046 1.00 0.00 C ATOM 766 C LYS A 49 13.452 2.774 4.941 1.00 0.00 C ATOM 767 O LYS A 49 13.750 3.919 5.222 1.00 0.00 O ATOM 768 CB LYS A 49 11.770 1.390 6.273 1.00 0.00 C ATOM 769 CG LYS A 49 10.353 1.673 6.766 1.00 0.00 C ATOM 770 CD LYS A 49 9.765 0.417 7.375 1.00 0.00 C ATOM 771 CE LYS A 49 10.187 0.331 8.829 1.00 0.00 C ATOM 772 NZ LYS A 49 9.245 -0.637 9.468 1.00 0.00 N ATOM 0 H LYS A 49 11.703 0.372 4.125 1.00 0.00 H new ATOM 0 HA LYS A 49 11.371 3.151 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.886 0.336 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.500 1.613 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.368 2.475 7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.731 2.013 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.678 0.435 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.109 -0.462 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.218 -0.010 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.132 1.307 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.484 -0.741 10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.271 -0.284 9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.324 -1.561 8.997 1.00 0.00 H new ATOM 786 N LYS A 50 14.317 1.915 4.445 1.00 0.00 N ATOM 787 CA LYS A 50 15.745 2.268 4.179 1.00 0.00 C ATOM 788 C LYS A 50 15.748 3.373 3.106 1.00 0.00 C ATOM 789 O LYS A 50 16.500 4.326 3.187 1.00 0.00 O ATOM 790 CB LYS A 50 16.338 0.936 3.666 1.00 0.00 C ATOM 791 CG LYS A 50 17.565 1.125 2.766 1.00 0.00 C ATOM 792 CD LYS A 50 17.612 -0.036 1.754 1.00 0.00 C ATOM 793 CE LYS A 50 18.066 -1.325 2.460 1.00 0.00 C ATOM 794 NZ LYS A 50 18.251 -2.333 1.372 1.00 0.00 N ATOM 0 H LYS A 50 14.078 0.952 4.207 1.00 0.00 H new ATOM 0 HA LYS A 50 16.314 2.648 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.614 0.317 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.571 0.394 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.509 2.080 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.475 1.142 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.628 -0.182 1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.297 0.205 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.994 -1.166 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.322 -1.660 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.561 -3.236 1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.350 -2.472 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.971 -1.993 0.703 1.00 0.00 H new ATOM 808 N LEU A 51 14.858 3.252 2.130 1.00 0.00 N ATOM 809 CA LEU A 51 14.728 4.287 1.058 1.00 0.00 C ATOM 810 C LEU A 51 14.095 5.550 1.638 1.00 0.00 C ATOM 811 O LEU A 51 14.447 6.648 1.272 1.00 0.00 O ATOM 812 CB LEU A 51 13.776 3.675 0.021 1.00 0.00 C ATOM 813 CG LEU A 51 14.533 3.073 -1.167 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.884 2.492 -0.745 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.690 1.954 -1.746 1.00 0.00 C ATOM 0 H LEU A 51 14.214 2.467 2.039 1.00 0.00 H new ATOM 0 HA LEU A 51 15.693 4.556 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.172 2.902 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.089 4.442 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 51 14.715 3.863 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.389 2.075 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.500 3.280 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.727 1.706 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.209 1.509 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.522 1.193 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.731 2.354 -2.076 1.00 0.00 H new ATOM 827 N ASN A 52 13.157 5.378 2.549 1.00 0.00 N ATOM 828 CA ASN A 52 12.470 6.537 3.190 1.00 0.00 C ATOM 829 C ASN A 52 13.496 7.473 3.844 1.00 0.00 C ATOM 830 O ASN A 52 13.377 8.671 3.745 1.00 0.00 O ATOM 831 CB ASN A 52 11.553 5.911 4.244 1.00 0.00 C ATOM 832 CG ASN A 52 10.628 6.976 4.819 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.737 7.444 4.147 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.811 7.385 6.042 1.00 0.00 N ATOM 0 H ASN A 52 12.839 4.465 2.875 1.00 0.00 H new ATOM 0 HA ASN A 52 11.915 7.141 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.966 5.108 3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.149 5.465 5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.202 8.102 6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.563 6.988 6.605 1.00 0.00 H new ATOM 841 N ASP A 53 14.508 6.923 4.489 1.00 0.00 N ATOM 842 CA ASP A 53 15.565 7.776 5.137 1.00 0.00 C ATOM 843 C ASP A 53 16.650 8.170 4.120 1.00 0.00 C ATOM 844 O ASP A 53 17.072 9.312 4.079 1.00 0.00 O ATOM 845 CB ASP A 53 16.160 6.912 6.250 1.00 0.00 C ATOM 846 CG ASP A 53 17.209 7.713 7.033 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.819 8.496 7.884 1.00 0.00 O ATOM 848 OD2 ASP A 53 18.385 7.527 6.767 1.00 0.00 O ATOM 0 H ASP A 53 14.646 5.918 4.594 1.00 0.00 H new ATOM 0 HA ASP A 53 15.149 8.706 5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.370 6.576 6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.616 6.019 5.823 1.00 0.00 H new ATOM 853 N ALA A 54 17.105 7.233 3.305 1.00 0.00 N ATOM 854 CA ALA A 54 18.170 7.546 2.285 1.00 0.00 C ATOM 855 C ALA A 54 17.662 8.623 1.313 1.00 0.00 C ATOM 856 O ALA A 54 18.311 9.633 1.109 1.00 0.00 O ATOM 857 CB ALA A 54 18.428 6.227 1.553 1.00 0.00 C ATOM 0 H ALA A 54 16.783 6.265 3.304 1.00 0.00 H new ATOM 0 HA ALA A 54 19.081 7.933 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.194 6.377 0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.766 5.475 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.507 5.888 1.078 1.00 0.00 H new ATOM 863 N GLN A 55 16.481 8.426 0.757 1.00 0.00 N ATOM 864 CA GLN A 55 15.877 9.449 -0.164 1.00 0.00 C ATOM 865 C GLN A 55 15.448 10.697 0.638 1.00 0.00 C ATOM 866 O GLN A 55 15.391 11.789 0.096 1.00 0.00 O ATOM 867 CB GLN A 55 14.653 8.791 -0.808 1.00 0.00 C ATOM 868 CG GLN A 55 15.085 7.607 -1.687 1.00 0.00 C ATOM 869 CD GLN A 55 13.861 7.040 -2.401 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.817 6.992 -3.613 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.851 6.615 -1.693 1.00 0.00 N ATOM 0 H GLN A 55 15.909 7.595 0.904 1.00 0.00 H new ATOM 0 HA GLN A 55 16.594 9.770 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.967 8.447 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.113 9.522 -1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.828 7.931 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.554 6.836 -1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.889 6.656 -0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.023 6.242 -2.158 1.00 0.00 H new ATOM 880 N ALA A 56 15.131 10.534 1.924 1.00 0.00 N ATOM 881 CA ALA A 56 14.692 11.699 2.773 1.00 0.00 C ATOM 882 C ALA A 56 15.739 12.813 2.805 1.00 0.00 C ATOM 883 O ALA A 56 16.929 12.556 2.707 1.00 0.00 O ATOM 884 CB ALA A 56 14.513 11.172 4.199 1.00 0.00 C ATOM 0 H ALA A 56 15.161 9.639 2.413 1.00 0.00 H new ATOM 0 HA ALA A 56 13.774 12.115 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.194 11.986 4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.758 10.386 4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.459 10.768 4.559 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.453 -6.075 -9.073 1.00 0.00 N ATOM 1015 CA ASN B 6 0.575 -5.475 -8.152 1.00 0.00 C ATOM 1016 C ASN B 6 1.032 -4.088 -8.663 1.00 0.00 C ATOM 1017 O ASN B 6 1.784 -3.399 -8.000 1.00 0.00 O ATOM 1018 CB ASN B 6 1.738 -6.488 -8.094 1.00 0.00 C ATOM 1019 CG ASN B 6 2.303 -6.790 -9.499 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.637 -5.895 -10.249 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.420 -8.032 -9.885 1.00 0.00 N ATOM 0 HA ASN B 6 0.172 -5.300 -7.155 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.532 -6.094 -7.459 1.00 0.00 H new ATOM 0 HB3 ASN B 6 1.392 -7.414 -7.634 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.790 -8.245 -10.811 1.00 0.00 H new ATOM 0 HD22 ASN B 6 2.141 -8.789 -9.260 1.00 0.00 H new ATOM 1028 N LYS B 7 0.542 -3.663 -9.815 1.00 0.00 N ATOM 1029 CA LYS B 7 0.878 -2.315 -10.357 1.00 0.00 C ATOM 1030 C LYS B 7 -0.242 -1.357 -9.995 1.00 0.00 C ATOM 1031 O LYS B 7 -0.008 -0.188 -9.759 1.00 0.00 O ATOM 1032 CB LYS B 7 0.964 -2.503 -11.873 1.00 0.00 C ATOM 1033 CG LYS B 7 1.674 -1.301 -12.511 1.00 0.00 C ATOM 1034 CD LYS B 7 1.545 -1.371 -14.037 1.00 0.00 C ATOM 1035 CE LYS B 7 2.506 -2.432 -14.594 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.301 -2.418 -16.075 1.00 0.00 N ATOM 0 H LYS B 7 -0.086 -4.210 -10.404 1.00 0.00 H new ATOM 0 HA LYS B 7 1.808 -1.909 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.505 -3.420 -12.104 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.037 -2.609 -12.292 1.00 0.00 H new ATOM 0 HG2 LYS B 7 1.239 -0.372 -12.142 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.726 -1.295 -12.226 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.519 -1.616 -14.313 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.770 -0.398 -14.475 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.540 -2.198 -14.339 1.00 0.00 H new ATOM 0 HE3 LYS B 7 2.289 -3.415 -14.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.927 -3.120 -16.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.311 -2.652 -16.291 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.522 -1.472 -16.447 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.454 -1.852 -9.925 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.585 -0.981 -9.536 1.00 0.00 C ATOM 1052 C GLU B 8 -2.524 -0.616 -8.045 1.00 0.00 C ATOM 1053 O GLU B 8 -3.118 0.360 -7.658 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.913 -1.669 -9.959 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.121 -3.125 -9.501 1.00 0.00 C ATOM 1056 CD GLU B 8 -3.461 -3.446 -8.180 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -2.322 -3.837 -8.217 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -4.114 -3.317 -7.160 1.00 0.00 O ATOM 0 H GLU B 8 -1.700 -2.822 -10.122 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.525 -0.027 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -4.741 -1.072 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.977 -1.643 -11.047 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.190 -3.322 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.730 -3.796 -10.265 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.770 -1.334 -7.206 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.683 -0.909 -5.766 1.00 0.00 C ATOM 1067 C LEU B 9 -0.829 0.357 -5.676 1.00 0.00 C ATOM 1068 O LEU B 9 -0.927 1.094 -4.715 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.025 -2.001 -4.917 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.636 -3.386 -5.157 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.613 -4.454 -4.732 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.910 -3.520 -4.311 1.00 0.00 C ATOM 0 H LEU B 9 -1.234 -2.165 -7.456 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.691 -0.727 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.041 -2.035 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.122 -1.743 -3.862 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.886 -3.517 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.033 -5.446 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.296 -4.342 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.376 -4.331 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.353 -4.502 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.660 -3.405 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.622 -2.748 -4.601 1.00 0.00 H new ATOM 1084 N SER B 10 -0.012 0.634 -6.680 1.00 0.00 N ATOM 1085 CA SER B 10 0.800 1.882 -6.656 1.00 0.00 C ATOM 1086 C SER B 10 -0.177 3.078 -6.614 1.00 0.00 C ATOM 1087 O SER B 10 -0.097 3.940 -5.755 1.00 0.00 O ATOM 1088 CB SER B 10 1.588 1.845 -7.980 1.00 0.00 C ATOM 1089 OG SER B 10 1.566 3.121 -8.627 1.00 0.00 O ATOM 0 H SER B 10 0.118 0.047 -7.504 1.00 0.00 H new ATOM 0 HA SER B 10 1.471 1.971 -5.802 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.619 1.550 -7.785 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.160 1.091 -8.641 1.00 0.00 H new ATOM 0 HG SER B 10 1.780 3.010 -9.577 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.107 3.090 -7.552 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.128 4.186 -7.650 1.00 0.00 C ATOM 1097 C VAL B 11 -3.297 3.920 -6.688 1.00 0.00 C ATOM 1098 O VAL B 11 -3.627 4.753 -5.864 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.609 4.149 -9.120 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.458 5.387 -9.422 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.404 4.107 -10.077 1.00 0.00 C ATOM 0 H VAL B 11 -1.199 2.368 -8.267 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.718 5.159 -7.378 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.210 3.252 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.793 5.354 -10.459 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.324 5.404 -8.761 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.862 6.285 -9.262 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.758 4.081 -11.107 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.789 4.994 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.810 3.216 -9.875 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.916 2.755 -6.792 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.071 2.397 -5.894 1.00 0.00 C ATOM 1113 C ALA B 12 -4.645 2.406 -4.425 1.00 0.00 C ATOM 1114 O ALA B 12 -5.346 2.905 -3.576 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.502 0.974 -6.308 1.00 0.00 C ATOM 0 H ALA B 12 -3.665 2.033 -7.468 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.883 3.116 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.341 0.654 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.802 0.975 -7.356 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.667 0.287 -6.171 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.496 1.860 -4.143 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.979 1.791 -2.750 1.00 0.00 C ATOM 1123 C GLY B 13 -2.625 3.165 -2.209 1.00 0.00 C ATOM 1124 O GLY B 13 -3.149 3.575 -1.192 1.00 0.00 O ATOM 0 H GLY B 13 -2.877 1.447 -4.841 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.729 1.330 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.097 1.151 -2.721 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.708 3.853 -2.852 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.265 5.192 -2.334 1.00 0.00 C ATOM 1130 C ARG B 14 -2.430 6.205 -2.232 1.00 0.00 C ATOM 1131 O ARG B 14 -2.468 6.998 -1.307 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.182 5.684 -3.291 1.00 0.00 C ATOM 1133 CG ARG B 14 0.549 6.869 -2.656 1.00 0.00 C ATOM 1134 CD ARG B 14 1.437 6.391 -1.499 1.00 0.00 C ATOM 1135 NE ARG B 14 2.832 6.721 -1.914 1.00 0.00 N ATOM 1136 CZ ARG B 14 3.723 7.109 -1.030 1.00 0.00 C ATOM 1137 NH1 ARG B 14 4.654 6.274 -0.628 1.00 0.00 N ATOM 1138 NH2 ARG B 14 3.687 8.330 -0.552 1.00 0.00 N ATOM 0 H ARG B 14 -1.248 3.547 -3.710 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.885 5.096 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.522 4.880 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.627 5.982 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.158 7.373 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -0.175 7.598 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG B 14 1.174 6.893 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.320 5.321 -1.329 1.00 0.00 H new ATOM 0 HE ARG B 14 3.097 6.644 -2.896 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.685 5.326 -1.002 1.00 0.00 H new ATOM 0 HH12 ARG B 14 5.346 6.574 0.058 1.00 0.00 H new ATOM 0 HH21 ARG B 14 2.966 8.980 -0.867 1.00 0.00 H new ATOM 0 HH22 ARG B 14 4.380 8.630 0.134 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.387 6.183 -3.145 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.543 7.144 -3.031 1.00 0.00 C ATOM 1154 C GLU B 15 -5.388 6.761 -1.797 1.00 0.00 C ATOM 1155 O GLU B 15 -5.717 7.608 -0.993 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.349 7.005 -4.320 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.600 7.670 -5.482 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.474 7.639 -6.741 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.543 6.595 -7.369 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -6.061 8.661 -7.055 1.00 0.00 O ATOM 0 H GLU B 15 -3.417 5.554 -3.948 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.217 8.176 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.518 5.951 -4.541 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.329 7.466 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.350 8.700 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.660 7.151 -5.667 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.662 5.472 -1.617 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.407 4.975 -0.396 1.00 0.00 C ATOM 1169 C ILE B 16 -5.572 5.287 0.877 1.00 0.00 C ATOM 1170 O ILE B 16 -6.111 5.486 1.953 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.560 3.443 -0.604 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.514 3.165 -1.783 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.128 2.783 0.659 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.483 1.680 -2.172 1.00 0.00 C ATOM 0 H ILE B 16 -5.396 4.738 -2.274 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.379 5.452 -0.270 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.575 3.028 -0.817 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.529 3.453 -1.511 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.228 3.776 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.228 1.710 0.495 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.454 2.961 1.497 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -8.106 3.209 0.884 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.164 1.508 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.471 1.402 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.792 1.074 -1.320 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.257 5.343 0.730 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.322 5.651 1.871 1.00 0.00 C ATOM 1188 C VAL B 17 -3.514 7.089 2.366 1.00 0.00 C ATOM 1189 O VAL B 17 -3.411 7.344 3.551 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.886 5.470 1.291 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.832 6.291 2.053 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.494 4.013 1.354 1.00 0.00 C ATOM 0 H VAL B 17 -3.784 5.183 -0.160 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.507 4.998 2.724 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.913 5.827 0.261 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.149 6.127 1.607 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.084 7.350 1.996 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.812 5.979 3.097 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.490 3.888 0.948 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.511 3.676 2.391 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.198 3.421 0.769 1.00 0.00 H new ATOM 1202 N THR B 18 -3.730 8.036 1.472 1.00 0.00 N ATOM 1203 CA THR B 18 -3.850 9.453 1.926 1.00 0.00 C ATOM 1204 C THR B 18 -4.865 10.282 1.107 1.00 0.00 C ATOM 1205 O THR B 18 -4.599 11.438 0.809 1.00 0.00 O ATOM 1206 CB THR B 18 -2.408 10.008 1.815 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.347 11.304 2.396 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.952 10.080 0.348 1.00 0.00 C ATOM 0 H THR B 18 -3.826 7.886 0.468 1.00 0.00 H new ATOM 0 HA THR B 18 -4.247 9.514 2.939 1.00 0.00 H new ATOM 0 HB THR B 18 -1.741 9.331 2.349 1.00 0.00 H new ATOM 0 HG1 THR B 18 -3.039 11.873 1.999 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.936 10.473 0.302 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.975 9.082 -0.090 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.621 10.736 -0.209 1.00 0.00 H new ATOM 1216 N LEU B 19 -6.045 9.746 0.767 1.00 0.00 N ATOM 1217 CA LEU B 19 -7.033 10.613 0.023 1.00 0.00 C ATOM 1218 C LEU B 19 -7.409 11.834 0.939 1.00 0.00 C ATOM 1219 O LEU B 19 -6.999 11.873 2.092 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.228 9.725 -0.491 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.982 8.887 0.549 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -8.237 7.581 0.896 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -9.242 9.729 1.776 1.00 0.00 C ATOM 0 H LEU B 19 -6.346 8.792 0.966 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.617 11.050 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.948 10.380 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.841 9.048 -1.253 1.00 0.00 H new ATOM 0 HG LEU B 19 -9.937 8.581 0.122 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -8.809 7.021 1.636 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -8.121 6.978 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -7.254 7.820 1.302 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -9.778 9.136 2.517 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.293 10.063 2.196 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -9.843 10.596 1.502 1.00 0.00 H new ATOM 1235 N PRO B 20 -8.061 12.844 0.389 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.321 14.122 1.151 1.00 0.00 C ATOM 1237 C PRO B 20 -8.997 14.008 2.541 1.00 0.00 C ATOM 1238 O PRO B 20 -8.800 14.899 3.348 1.00 0.00 O ATOM 1239 CB PRO B 20 -9.150 14.959 0.170 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.736 13.958 -0.763 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.658 12.923 -0.954 1.00 0.00 C ATOM 0 HA PRO B 20 -7.369 14.564 1.444 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.926 15.524 0.686 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.529 15.681 -0.360 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.640 13.514 -0.347 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -10.014 14.418 -1.711 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -9.066 11.965 -1.275 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.930 13.227 -1.706 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.786 12.990 2.846 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.447 12.963 4.219 1.00 0.00 C ATOM 1251 C ASN B 21 -10.477 11.577 4.919 1.00 0.00 C ATOM 1252 O ASN B 21 -11.386 11.324 5.695 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.891 13.412 3.970 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.963 14.871 3.503 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.322 15.742 4.057 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.748 15.178 2.509 1.00 0.00 N ATOM 0 H ASN B 21 -9.999 12.202 2.234 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.869 13.600 4.889 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.347 12.767 3.219 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.471 13.295 4.886 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.823 16.147 2.199 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.288 14.450 2.041 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.526 10.684 4.701 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.599 9.356 5.425 1.00 0.00 C ATOM 1265 C LEU B 22 -8.795 9.384 6.724 1.00 0.00 C ATOM 1266 O LEU B 22 -7.816 10.104 6.857 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.999 8.284 4.518 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.687 6.940 4.761 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.876 6.788 3.808 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.683 5.818 4.505 1.00 0.00 C ATOM 0 H LEU B 22 -8.729 10.807 4.077 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.642 9.148 5.664 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.113 8.575 3.474 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.930 8.193 4.709 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.046 6.891 5.789 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.363 5.829 3.984 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.588 7.595 3.983 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.524 6.832 2.777 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.163 4.854 4.675 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.332 5.872 3.474 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.836 5.926 5.182 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.186 8.550 7.654 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.437 8.445 8.960 1.00 0.00 C ATOM 1284 C ASN B 23 -7.461 7.247 8.910 1.00 0.00 C ATOM 1285 O ASN B 23 -7.605 6.357 8.086 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.494 8.309 10.085 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.389 7.068 9.912 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.974 6.063 9.385 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.615 7.097 10.355 1.00 0.00 N ATOM 0 H ASN B 23 -9.993 7.932 7.572 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.828 9.328 9.151 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.988 8.256 11.049 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -10.118 9.203 10.102 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -12.213 6.277 10.255 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.976 7.940 10.802 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.445 7.251 9.756 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.403 6.153 9.742 1.00 0.00 C ATOM 1298 C ASP B 24 -5.952 4.701 9.900 1.00 0.00 C ATOM 1299 O ASP B 24 -5.408 3.813 9.258 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.359 6.506 10.833 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.956 6.474 12.245 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.523 7.476 12.651 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.824 5.451 12.899 1.00 0.00 O ATOM 0 H ASP B 24 -6.291 7.972 10.461 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.955 6.126 8.749 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.527 5.804 10.777 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.952 7.498 10.636 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.977 4.455 10.724 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.481 3.055 10.877 1.00 0.00 C ATOM 1310 C PRO B 25 -8.162 2.536 9.592 1.00 0.00 C ATOM 1311 O PRO B 25 -8.006 1.373 9.238 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.479 3.146 12.031 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.923 4.571 12.041 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.757 5.390 11.565 1.00 0.00 C ATOM 0 HA PRO B 25 -6.672 2.350 11.069 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.321 2.471 11.880 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.015 2.870 12.978 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.786 4.712 11.390 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.226 4.875 13.043 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -8.087 6.259 10.995 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -7.165 5.763 12.400 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.913 3.374 8.887 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.598 2.904 7.635 1.00 0.00 C ATOM 1324 C GLN B 26 -8.578 2.636 6.526 1.00 0.00 C ATOM 1325 O GLN B 26 -8.637 1.596 5.912 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.596 4.002 7.240 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.746 4.023 8.264 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.827 5.031 7.854 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -14.002 4.755 7.989 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.491 6.198 7.381 1.00 0.00 N ATOM 0 H GLN B 26 -9.075 4.352 9.128 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.120 1.961 7.799 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.098 4.971 7.212 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.986 3.815 6.239 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.183 3.028 8.346 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.357 4.282 9.249 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.506 6.437 7.265 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.213 6.872 7.127 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.633 3.542 6.281 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.599 3.289 5.202 1.00 0.00 C ATOM 1341 C LYS B 27 -5.830 2.000 5.477 1.00 0.00 C ATOM 1342 O LYS B 27 -5.543 1.256 4.560 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.613 4.475 5.136 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.183 5.000 6.518 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.526 6.381 6.357 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.597 7.454 6.083 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.849 8.672 5.657 1.00 0.00 N ATOM 0 H LYS B 27 -7.537 4.430 6.774 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.116 3.187 4.248 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.726 4.168 4.582 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.074 5.288 4.575 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.048 5.071 7.178 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.484 4.304 6.982 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.970 6.634 7.260 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.808 6.356 5.537 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.288 7.128 5.306 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.191 7.651 6.976 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.523 9.412 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.268 9.017 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.234 8.438 4.851 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.504 1.724 6.726 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.768 0.452 7.041 1.00 0.00 C ATOM 1363 C LYS B 28 -5.621 -0.748 6.608 1.00 0.00 C ATOM 1364 O LYS B 28 -5.209 -1.530 5.784 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.582 0.413 8.571 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.346 1.206 8.963 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.307 0.293 9.613 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.662 -0.590 8.541 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.321 -0.975 9.081 1.00 0.00 N ATOM 0 H LYS B 28 -5.713 2.317 7.529 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.810 0.412 6.522 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.462 0.827 9.064 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.484 -0.619 8.908 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.918 1.683 8.081 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.622 2.002 9.654 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.545 0.890 10.114 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -2.778 -0.327 10.375 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -2.271 -1.472 8.343 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.564 -0.052 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.421 -0.455 8.570 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.274 -0.740 10.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.177 -1.997 8.956 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.830 -0.870 7.142 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.737 -2.009 6.741 1.00 0.00 C ATOM 1385 C ALA B 29 -8.006 -1.966 5.222 1.00 0.00 C ATOM 1386 O ALA B 29 -8.153 -2.994 4.585 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.037 -1.795 7.522 1.00 0.00 C ATOM 0 H ALA B 29 -7.223 -0.232 7.834 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.292 -2.979 6.961 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.743 -2.589 7.278 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.826 -1.813 8.591 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.468 -0.831 7.253 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.052 -0.775 4.652 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.292 -0.613 3.181 1.00 0.00 C ATOM 1395 C PHE B 30 -7.130 -1.166 2.372 1.00 0.00 C ATOM 1396 O PHE B 30 -7.320 -1.954 1.470 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.376 0.899 2.949 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.745 1.263 2.486 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.116 0.982 1.176 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.639 1.873 3.366 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.400 1.313 0.739 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.919 2.207 2.932 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.301 1.927 1.622 1.00 0.00 C ATOM 0 H PHE B 30 -7.931 0.103 5.158 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.192 -1.146 2.873 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.140 1.431 3.871 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.638 1.204 2.207 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.416 0.511 0.501 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.339 2.086 4.381 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.699 1.097 -0.276 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.614 2.682 3.609 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.294 2.184 1.285 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.931 -0.749 2.684 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.744 -1.253 1.941 1.00 0.00 C ATOM 1415 C ILE B 31 -4.571 -2.742 2.227 1.00 0.00 C ATOM 1416 O ILE B 31 -4.257 -3.511 1.342 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.561 -0.449 2.476 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.525 0.903 1.741 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.229 -1.220 2.285 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.102 1.327 1.511 1.00 0.00 C ATOM 0 H ILE B 31 -5.725 -0.079 3.424 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.838 -1.138 0.861 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.682 -0.285 3.547 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.047 0.822 0.788 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.048 1.659 2.327 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.404 -0.624 2.675 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.277 -2.168 2.821 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.068 -1.411 1.224 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.087 2.285 0.990 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.593 1.427 2.470 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.592 0.577 0.906 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.775 -3.146 3.464 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.638 -4.584 3.816 1.00 0.00 C ATOM 1434 C PHE B 32 -5.683 -5.397 3.013 1.00 0.00 C ATOM 1435 O PHE B 32 -5.383 -6.486 2.565 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.805 -4.660 5.349 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.461 -4.350 6.028 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.819 -3.077 5.871 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.816 -5.344 6.816 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.603 -2.842 6.484 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.592 -5.073 7.403 1.00 0.00 C ATOM 1442 CZ PHE B 32 -0.996 -3.837 7.244 1.00 0.00 C ATOM 0 H PHE B 32 -5.030 -2.534 4.239 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.673 -5.017 3.554 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.563 -3.950 5.678 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.151 -5.652 5.639 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.284 -2.305 5.276 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.281 -6.309 6.956 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.122 -1.882 6.373 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.099 -5.834 7.990 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.045 -3.640 7.716 1.00 0.00 H new ATOM 1452 N SER B 33 -6.872 -4.848 2.731 1.00 0.00 N ATOM 1453 CA SER B 33 -7.845 -5.597 1.853 1.00 0.00 C ATOM 1454 C SER B 33 -7.423 -5.412 0.367 1.00 0.00 C ATOM 1455 O SER B 33 -7.578 -6.313 -0.435 1.00 0.00 O ATOM 1456 CB SER B 33 -9.245 -5.026 2.140 1.00 0.00 C ATOM 1457 OG SER B 33 -9.296 -3.648 1.818 1.00 0.00 O ATOM 0 H SER B 33 -7.193 -3.939 3.066 1.00 0.00 H new ATOM 0 HA SER B 33 -7.852 -6.668 2.056 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.991 -5.569 1.560 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.494 -5.169 3.192 1.00 0.00 H new ATOM 0 HG SER B 33 -8.385 -3.289 1.773 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.836 -4.262 0.026 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.323 -4.004 -1.378 1.00 0.00 C ATOM 1465 C LEU B 34 -5.198 -5.005 -1.697 1.00 0.00 C ATOM 1466 O LEU B 34 -5.135 -5.556 -2.780 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.785 -2.551 -1.340 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.149 -2.139 -2.666 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.231 -1.774 -3.691 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.234 -0.922 -2.440 1.00 0.00 C ATOM 0 H LEU B 34 -6.692 -3.486 0.673 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.087 -4.125 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.601 -1.869 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.049 -2.458 -0.541 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.567 -2.977 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.760 -1.483 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.877 -2.636 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.827 -0.944 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.780 -0.628 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.822 -0.093 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.451 -1.183 -1.727 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.327 -5.245 -0.737 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.206 -6.216 -0.918 1.00 0.00 C ATOM 1484 C TRP B 35 -3.735 -7.658 -1.029 1.00 0.00 C ATOM 1485 O TRP B 35 -3.292 -8.422 -1.868 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.358 -6.094 0.343 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.133 -6.911 0.151 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.877 -8.091 0.750 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.016 -6.642 -0.726 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.336 -8.556 0.306 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.913 -7.689 -0.598 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.278 -5.593 -1.603 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.099 -7.688 -1.315 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.469 -5.589 -2.323 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.376 -6.628 -2.178 1.00 0.00 C ATOM 0 H TRP B 35 -4.352 -4.797 0.179 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.647 -6.001 -1.829 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.096 -5.052 0.527 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.916 -6.441 1.213 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.520 -8.588 1.461 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.758 -9.434 0.607 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.424 -4.781 -1.722 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.802 -8.500 -1.206 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.688 -4.774 -2.997 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.301 -6.616 -2.736 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.667 -8.025 -0.167 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.233 -9.411 -0.180 1.00 0.00 C ATOM 1508 C ASP B 36 -6.050 -9.638 -1.446 1.00 0.00 C ATOM 1509 O ASP B 36 -5.971 -10.694 -2.054 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.130 -9.504 1.065 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.119 -10.938 1.602 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -6.938 -11.724 1.152 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.292 -11.224 2.452 1.00 0.00 O ATOM 0 H ASP B 36 -5.059 -7.413 0.549 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.449 -10.168 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.776 -8.815 1.832 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.148 -9.207 0.815 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.840 -8.657 -1.842 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.669 -8.816 -3.060 1.00 0.00 C ATOM 1520 C ASP B 37 -7.637 -7.547 -3.934 1.00 0.00 C ATOM 1521 O ASP B 37 -8.602 -6.794 -3.962 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.095 -9.106 -2.547 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.144 -10.479 -1.865 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.171 -11.473 -2.573 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.151 -10.511 -0.645 1.00 0.00 O ATOM 0 H ASP B 37 -6.937 -7.760 -1.366 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.297 -9.620 -3.695 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.401 -8.331 -1.844 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.801 -9.079 -3.377 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.542 -7.358 -4.669 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.439 -6.191 -5.592 1.00 0.00 C ATOM 1532 C PRO B 38 -7.425 -6.315 -6.779 1.00 0.00 C ATOM 1533 O PRO B 38 -7.541 -5.398 -7.567 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.999 -6.214 -6.063 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.573 -7.638 -5.903 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.314 -8.173 -4.707 1.00 0.00 C ATOM 0 HA PRO B 38 -6.700 -5.253 -5.102 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.916 -5.889 -7.100 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.377 -5.545 -5.469 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.809 -8.216 -6.796 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.495 -7.706 -5.754 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.540 -9.234 -4.816 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.731 -8.064 -3.792 1.00 0.00 H new ATOM 1544 N SER B 39 -8.175 -7.410 -6.892 1.00 0.00 N ATOM 1545 CA SER B 39 -9.199 -7.518 -7.990 1.00 0.00 C ATOM 1546 C SER B 39 -10.233 -6.397 -7.768 1.00 0.00 C ATOM 1547 O SER B 39 -10.713 -5.785 -8.704 1.00 0.00 O ATOM 1548 CB SER B 39 -9.844 -8.900 -7.831 1.00 0.00 C ATOM 1549 OG SER B 39 -10.040 -9.479 -9.116 1.00 0.00 O ATOM 0 H SER B 39 -8.117 -8.220 -6.274 1.00 0.00 H new ATOM 0 HA SER B 39 -8.778 -7.413 -8.990 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.208 -9.543 -7.223 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.797 -8.811 -7.310 1.00 0.00 H new ATOM 0 HG SER B 39 -10.451 -10.363 -9.017 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.512 -6.098 -6.503 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.448 -4.980 -6.140 1.00 0.00 C ATOM 1557 C GLN B 40 -10.645 -3.668 -5.951 1.00 0.00 C ATOM 1558 O GLN B 40 -11.144 -2.743 -5.360 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.094 -5.349 -4.786 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.366 -6.851 -4.662 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.569 -7.092 -3.740 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.466 -7.837 -4.081 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.629 -6.494 -2.579 1.00 0.00 N ATOM 0 H GLN B 40 -10.120 -6.594 -5.703 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.195 -4.839 -6.922 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.438 -5.033 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -13.030 -4.802 -4.671 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.561 -7.276 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.486 -7.357 -4.265 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.878 -5.868 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.427 -6.654 -1.964 1.00 0.00 H new ATOM 1572 N SER B 41 -9.402 -3.597 -6.418 1.00 0.00 N ATOM 1573 CA SER B 41 -8.550 -2.364 -6.234 1.00 0.00 C ATOM 1574 C SER B 41 -9.243 -1.104 -6.776 1.00 0.00 C ATOM 1575 O SER B 41 -9.221 -0.070 -6.130 1.00 0.00 O ATOM 1576 CB SER B 41 -7.284 -2.656 -7.018 1.00 0.00 C ATOM 1577 OG SER B 41 -6.411 -1.543 -6.970 1.00 0.00 O ATOM 0 H SER B 41 -8.942 -4.353 -6.924 1.00 0.00 H new ATOM 0 HA SER B 41 -8.358 -2.163 -5.180 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.787 -3.535 -6.607 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.534 -2.887 -8.054 1.00 0.00 H new ATOM 0 HG SER B 41 -5.483 -1.852 -7.034 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.881 -1.191 -7.934 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.615 0.001 -8.487 1.00 0.00 C ATOM 1585 C ALA B 42 -11.736 0.370 -7.507 1.00 0.00 C ATOM 1586 O ALA B 42 -11.902 1.524 -7.148 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.188 -0.445 -9.837 1.00 0.00 C ATOM 0 H ALA B 42 -9.922 -2.030 -8.512 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.976 0.874 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.735 0.381 -10.291 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.374 -0.747 -10.496 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.863 -1.287 -9.685 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.470 -0.628 -7.033 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.548 -0.387 -6.029 1.00 0.00 C ATOM 1595 C ASN B 43 -12.935 0.065 -4.687 1.00 0.00 C ATOM 1596 O ASN B 43 -13.525 0.853 -3.990 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.279 -1.729 -5.866 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.505 -1.545 -4.959 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.486 -1.941 -3.811 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.573 -0.953 -5.425 1.00 0.00 N ATOM 0 H ASN B 43 -12.357 -1.603 -7.309 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.231 0.400 -6.350 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.589 -2.106 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.606 -2.471 -5.437 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.388 -0.825 -4.825 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.592 -0.619 -6.389 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.754 -0.428 -4.331 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.098 -0.028 -3.039 1.00 0.00 C ATOM 1609 C LEU B 44 -10.754 1.450 -3.065 1.00 0.00 C ATOM 1610 O LEU B 44 -11.082 2.186 -2.162 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.838 -0.890 -2.953 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.149 -2.122 -2.117 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.358 -3.324 -2.642 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.776 -1.806 -0.666 1.00 0.00 C ATOM 0 H LEU B 44 -11.220 -1.094 -4.889 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.745 -0.180 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.511 -1.183 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -9.022 -0.324 -2.503 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.207 -2.376 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.587 -4.202 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.633 -3.516 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.291 -3.111 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.988 -2.672 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.714 -1.566 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.360 -0.954 -0.317 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.135 1.878 -4.128 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.797 3.326 -4.297 1.00 0.00 C ATOM 1628 C LEU B 45 -11.085 4.152 -4.243 1.00 0.00 C ATOM 1629 O LEU B 45 -11.151 5.170 -3.575 1.00 0.00 O ATOM 1630 CB LEU B 45 -9.179 3.444 -5.688 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.891 4.912 -5.963 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.580 5.283 -5.293 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.830 5.154 -7.468 1.00 0.00 C ATOM 0 H LEU B 45 -9.843 1.280 -4.901 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.122 3.684 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.260 2.860 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.859 3.044 -6.440 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.686 5.538 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.360 6.334 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -7.660 5.116 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.777 4.666 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -8.623 6.207 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.038 4.544 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -9.785 4.884 -7.919 1.00 0.00 H new ATOM 1645 N ALA B 46 -12.111 3.690 -4.933 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.420 4.400 -4.928 1.00 0.00 C ATOM 1647 C ALA B 46 -13.955 4.431 -3.491 1.00 0.00 C ATOM 1648 O ALA B 46 -14.326 5.463 -2.980 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.332 3.532 -5.792 1.00 0.00 C ATOM 0 H ALA B 46 -12.087 2.843 -5.501 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.353 5.424 -5.295 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.323 3.984 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.916 3.455 -6.797 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.409 2.537 -5.354 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.944 3.280 -2.843 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.402 3.152 -1.427 1.00 0.00 C ATOM 1657 C GLU B 47 -13.565 4.054 -0.504 1.00 0.00 C ATOM 1658 O GLU B 47 -14.077 4.612 0.443 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.183 1.664 -1.084 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.332 0.806 -1.657 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.687 1.259 -1.086 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.834 1.270 0.128 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.555 1.589 -1.878 1.00 0.00 O ATOM 0 H GLU B 47 -13.626 2.404 -3.257 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.440 3.458 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -13.230 1.326 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -14.130 1.537 -0.003 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -15.345 0.886 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.163 -0.244 -1.417 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.288 4.201 -0.797 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.389 5.075 0.031 1.00 0.00 C ATOM 1672 C ALA B 48 -11.791 6.547 -0.141 1.00 0.00 C ATOM 1673 O ALA B 48 -12.005 7.254 0.829 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.977 4.832 -0.525 1.00 0.00 C ATOM 0 H ALA B 48 -11.827 3.746 -1.585 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.450 4.848 1.095 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.259 5.437 0.029 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.721 3.778 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.948 5.109 -1.579 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.903 6.997 -1.375 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.304 8.418 -1.652 1.00 0.00 C ATOM 1682 C LYS B 49 -13.751 8.675 -1.195 1.00 0.00 C ATOM 1683 O LYS B 49 -14.023 9.659 -0.533 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.170 8.599 -3.171 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.693 8.491 -3.575 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.555 8.730 -5.079 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.119 8.414 -5.517 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.122 8.526 -7.006 1.00 0.00 N ATOM 0 H LYS B 49 -11.732 6.434 -2.208 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.677 9.125 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.756 7.841 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.569 9.569 -3.468 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.100 9.222 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.306 7.506 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.259 8.102 -5.624 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.800 9.765 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.410 9.113 -5.072 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -8.823 7.414 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.188 8.256 -7.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.847 7.893 -7.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.333 9.507 -7.280 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.671 7.783 -1.523 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.107 7.955 -1.088 1.00 0.00 C ATOM 1704 C LYS B 50 -16.195 7.949 0.448 1.00 0.00 C ATOM 1705 O LYS B 50 -16.952 8.710 1.024 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.883 6.771 -1.688 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.955 6.917 -3.218 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.857 5.829 -3.818 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.239 4.439 -3.598 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.223 3.467 -4.159 1.00 0.00 N ATOM 0 H LYS B 50 -14.489 6.944 -2.073 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.522 8.903 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.394 5.833 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.889 6.734 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.341 7.903 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.954 6.844 -3.644 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -18.844 5.872 -3.358 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -17.994 6.008 -4.884 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -16.275 4.355 -4.100 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -17.064 4.252 -2.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -18.233 2.607 -3.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -19.171 3.895 -4.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.951 3.221 -5.132 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.404 7.117 1.111 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.414 7.090 2.613 1.00 0.00 C ATOM 1726 C LEU B 51 -14.883 8.428 3.158 1.00 0.00 C ATOM 1727 O LEU B 51 -15.440 8.973 4.096 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.519 5.909 3.019 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.439 5.778 4.551 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.841 5.863 5.178 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.817 4.422 4.892 1.00 0.00 C ATOM 0 H LEU B 51 -14.757 6.461 0.673 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.416 6.963 3.022 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.912 4.987 2.592 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.518 6.049 2.610 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.832 6.591 4.949 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.762 5.768 6.261 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.293 6.823 4.930 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.463 5.058 4.788 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.753 4.313 5.975 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.437 3.624 4.483 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.817 4.362 4.462 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.840 8.981 2.546 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.317 10.315 2.995 1.00 0.00 C ATOM 1745 C ASN B 52 -14.438 11.358 2.847 1.00 0.00 C ATOM 1746 O ASN B 52 -14.605 12.216 3.694 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.082 10.601 2.086 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.318 11.646 0.953 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -12.928 12.677 1.135 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.787 11.444 -0.214 1.00 0.00 N ATOM 0 H ASN B 52 -13.339 8.562 1.762 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.012 10.344 4.041 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.262 10.949 2.714 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.760 9.664 1.632 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.889 12.144 -0.949 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.268 10.585 -0.396 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.210 11.263 1.773 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.333 12.220 1.538 1.00 0.00 C ATOM 1759 C ASP B 53 -17.410 12.082 2.633 1.00 0.00 C ATOM 1760 O ASP B 53 -18.057 13.051 2.991 1.00 0.00 O ATOM 1761 CB ASP B 53 -16.918 11.838 0.170 1.00 0.00 C ATOM 1762 CG ASP B 53 -17.961 12.877 -0.261 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -17.565 13.940 -0.712 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.139 12.592 -0.127 1.00 0.00 O ATOM 0 H ASP B 53 -15.099 10.553 1.049 1.00 0.00 H new ATOM 0 HA ASP B 53 -15.987 13.253 1.562 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.122 11.780 -0.572 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.376 10.851 0.224 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.595 10.883 3.167 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.618 10.669 4.242 1.00 0.00 C ATOM 1771 C ALA B 54 -18.190 11.387 5.534 1.00 0.00 C ATOM 1772 O ALA B 54 -19.015 11.932 6.248 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.663 9.150 4.442 1.00 0.00 C ATOM 0 H ALA B 54 -17.076 10.047 2.898 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.596 11.070 3.976 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.391 8.906 5.216 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.952 8.668 3.508 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.678 8.794 4.745 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.903 11.406 5.814 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.375 12.099 7.032 1.00 0.00 C ATOM 1781 C GLN B 55 -16.237 13.611 6.768 1.00 0.00 C ATOM 1782 O GLN B 55 -16.436 14.418 7.660 1.00 0.00 O ATOM 1783 CB GLN B 55 -15.001 11.462 7.266 1.00 0.00 C ATOM 1784 CG GLN B 55 -15.173 10.027 7.780 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.807 9.348 7.821 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -13.388 8.853 8.846 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -13.089 9.310 6.737 1.00 0.00 N ATOM 0 H GLN B 55 -16.188 10.962 5.238 1.00 0.00 H new ATOM 0 HA GLN B 55 -17.032 11.992 7.895 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.429 11.459 6.338 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.435 12.051 7.988 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.620 10.034 8.774 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.850 9.473 7.130 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.443 9.727 5.876 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.172 8.863 6.748 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.868 13.985 5.553 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.674 15.429 5.206 1.00 0.00 C ATOM 1798 C ALA B 56 -15.886 15.671 3.698 1.00 0.00 C ATOM 1799 O ALA B 56 -15.717 14.763 2.915 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.220 15.681 5.565 1.00 0.00 C ATOM 0 H ALA B 56 -15.693 13.338 4.784 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.376 16.081 5.725 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.967 16.719 5.349 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.068 15.483 6.626 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.581 15.022 4.978 1.00 0.00 H new