USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 828 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 :FLIP amide:sc= -1.67 F(o=-5.2!,f=-3.6) USER MOD Set 1.2: B 52 ASN :FLIP amide:sc= -1.92 F(o=-9.8!,f=-3.6) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -0.276 F(o=-16!,f=-1.2) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -0.876 F(o=-3.9!,f=-1.2) USER MOD Set 3.1: B 23 ASN : amide:sc= -9.15! C(o=-10!,f=-19!) USER MOD Set 3.2: B 24 SER OG : rot -160:sc= -0.926 USER MOD Set 4.1: A 26 GLN :FLIP amide:sc= -0.984 F(o=-9.3!,f=-3.4) USER MOD Set 4.2: A 55 GLN :FLIP amide:sc= -2.44! C(o=-7.7!,f=-3.4!) USER MOD Set 5.1: A 21 ASN : amide:sc= -0.814 K(o=-5.9,f=-6.8) USER MOD Set 5.2: A 52 ASN :FLIP amide:sc= -5.1! C(o=-8.7!,f=-5.9!) USER MOD Set 6.1: A 13 THR OG1 : rot -143:sc= -1.43 USER MOD Set 6.2: B 17 MET CE :methyl -134:sc= -12.3! (180deg=-13.7!) USER MOD Set 7.1: A 7 LYS NZ :NH3+ -148:sc= -1.19 (180deg=-0.719) USER MOD Set 7.2: B 7 LYS NZ :NH3+ -166:sc= -0.213 (180deg=-0.866) USER MOD Single : A 4 LYS NZ :NH3+ -116:sc= 0.282 (180deg=-3.51!) USER MOD Single : A 6 ASN : amide:sc= -2.27 K(o=-2.3,f=-8.9!) USER MOD Single : A 18 ASN : amide:sc= -3.14 K(o=-3.1,f=-3.8!) USER MOD Single : A 23 ASN : amide:sc= -0.834 K(o=-0.83,f=-10!) USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= -1.1 (180deg=-3.22!) USER MOD Single : A 33 SER OG : rot 75:sc= 0.79 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.353 K(o=-0.35,f=-2) USER MOD Single : A 41 SER OG : rot -90:sc= 0.36 USER MOD Single : A 43 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.0013) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= 0.835 (180deg=0.33) USER MOD Single : B 6 ASN :FLIP amide:sc= -1.83 F(o=-4.1!,f=-1.8) USER MOD Single : B 32 ASN :FLIP amide:sc= -3.47! C(o=-4.2!,f=-3.5!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.485 F(o=-1.1,f=-0.48) USER MOD Single : B 41 SER OG : rot 145:sc= -1.92 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0867 F(o=-0.95,f=-0.087) USER MOD Single : B 49 LYS NZ :NH3+ 136:sc= 1.01 (180deg=-0.00389) USER MOD Single : B 50 LYS NZ :NH3+ 160:sc= 0.796 (180deg=0.371) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 5.742 -10.703 7.261 1.00 0.00 N ATOM 46 CA LYS A 4 5.219 -9.694 8.180 1.00 0.00 C ATOM 47 C LYS A 4 5.542 -8.279 7.698 1.00 0.00 C ATOM 48 O LYS A 4 4.665 -7.423 7.672 1.00 0.00 O ATOM 49 CB LYS A 4 5.810 -9.914 9.582 1.00 0.00 C ATOM 50 CG LYS A 4 5.118 -9.002 10.604 1.00 0.00 C ATOM 51 CD LYS A 4 3.768 -9.611 11.005 1.00 0.00 C ATOM 52 CE LYS A 4 3.092 -8.735 12.066 1.00 0.00 C ATOM 53 NZ LYS A 4 2.425 -7.578 11.403 1.00 0.00 N ATOM 0 HA LYS A 4 4.135 -9.798 8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.689 -10.957 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.880 -9.709 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.749 -8.880 11.484 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.969 -8.010 10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.125 -9.698 10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.915 -10.619 11.394 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.360 -9.320 12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.831 -8.380 12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.876 -6.693 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.515 -7.670 10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.418 -7.562 11.663 1.00 0.00 H new ATOM 67 N PHE A 5 6.801 -8.039 7.321 1.00 0.00 N ATOM 68 CA PHE A 5 7.212 -6.721 6.853 1.00 0.00 C ATOM 69 C PHE A 5 6.419 -6.319 5.609 1.00 0.00 C ATOM 70 O PHE A 5 5.981 -5.180 5.501 1.00 0.00 O ATOM 71 CB PHE A 5 8.731 -6.692 6.581 1.00 0.00 C ATOM 72 CG PHE A 5 9.040 -7.121 5.159 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.058 -8.482 4.825 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.301 -6.154 4.177 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.339 -8.876 3.513 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.580 -6.551 2.865 1.00 0.00 C ATOM 77 CZ PHE A 5 9.598 -7.911 2.532 1.00 0.00 C ATOM 0 H PHE A 5 7.545 -8.737 7.332 1.00 0.00 H new ATOM 0 HA PHE A 5 6.997 -5.993 7.635 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.115 -5.686 6.752 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.242 -7.352 7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.855 -9.226 5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.287 -5.105 4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.356 -9.925 3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.782 -5.808 2.108 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.812 -8.216 1.518 1.00 0.00 H new ATOM 87 N ASN A 6 6.229 -7.266 4.681 1.00 0.00 N ATOM 88 CA ASN A 6 5.469 -6.998 3.465 1.00 0.00 C ATOM 89 C ASN A 6 4.017 -6.736 3.808 1.00 0.00 C ATOM 90 O ASN A 6 3.404 -5.799 3.302 1.00 0.00 O ATOM 91 CB ASN A 6 5.532 -8.202 2.534 1.00 0.00 C ATOM 92 CG ASN A 6 4.768 -7.926 1.247 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.791 -6.814 0.733 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.076 -8.884 0.706 1.00 0.00 N ATOM 0 H ASN A 6 6.591 -8.217 4.753 1.00 0.00 H new ATOM 0 HA ASN A 6 5.901 -6.125 2.976 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.571 -8.436 2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.112 -9.076 3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.549 -8.712 -0.150 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.060 -9.808 1.138 1.00 0.00 H new ATOM 101 N LYS A 7 3.480 -7.575 4.689 1.00 0.00 N ATOM 102 CA LYS A 7 2.109 -7.439 5.118 1.00 0.00 C ATOM 103 C LYS A 7 1.965 -6.087 5.786 1.00 0.00 C ATOM 104 O LYS A 7 1.009 -5.370 5.555 1.00 0.00 O ATOM 105 CB LYS A 7 1.750 -8.575 6.088 1.00 0.00 C ATOM 106 CG LYS A 7 0.230 -8.652 6.277 1.00 0.00 C ATOM 107 CD LYS A 7 -0.140 -9.947 7.017 1.00 0.00 C ATOM 108 CE LYS A 7 -0.525 -11.029 6.006 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.668 -12.332 6.709 1.00 0.00 N ATOM 0 H LYS A 7 3.982 -8.354 5.115 1.00 0.00 H new ATOM 0 HA LYS A 7 1.428 -7.503 4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.124 -9.523 5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.235 -8.408 7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.119 -7.788 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.268 -8.622 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.702 -10.284 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.969 -9.762 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.460 -10.765 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.236 -11.104 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.392 -13.104 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.054 -12.343 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.658 -12.462 7.002 1.00 0.00 H new ATOM 123 N GLU A 8 2.962 -5.736 6.589 1.00 0.00 N ATOM 124 CA GLU A 8 2.967 -4.453 7.273 1.00 0.00 C ATOM 125 C GLU A 8 3.196 -3.312 6.286 1.00 0.00 C ATOM 126 O GLU A 8 2.584 -2.256 6.395 1.00 0.00 O ATOM 127 CB GLU A 8 4.042 -4.447 8.359 1.00 0.00 C ATOM 128 CG GLU A 8 3.591 -5.323 9.542 1.00 0.00 C ATOM 129 CD GLU A 8 4.720 -5.480 10.570 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.872 -5.552 10.167 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.409 -5.558 11.747 1.00 0.00 O ATOM 0 H GLU A 8 3.775 -6.322 6.781 1.00 0.00 H new ATOM 0 HA GLU A 8 1.993 -4.303 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.983 -4.821 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.224 -3.427 8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.719 -4.876 10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.287 -6.304 9.178 1.00 0.00 H new ATOM 138 N LEU A 9 4.050 -3.562 5.306 1.00 0.00 N ATOM 139 CA LEU A 9 4.340 -2.590 4.247 1.00 0.00 C ATOM 140 C LEU A 9 3.042 -2.289 3.518 1.00 0.00 C ATOM 141 O LEU A 9 2.727 -1.136 3.228 1.00 0.00 O ATOM 142 CB LEU A 9 5.398 -3.193 3.306 1.00 0.00 C ATOM 143 CG LEU A 9 5.609 -2.329 2.054 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.469 -1.100 2.344 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.315 -3.159 0.999 1.00 0.00 C ATOM 0 H LEU A 9 4.563 -4.439 5.216 1.00 0.00 H new ATOM 0 HA LEU A 9 4.737 -1.658 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.343 -3.295 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.090 -4.195 3.008 1.00 0.00 H new ATOM 0 HG LEU A 9 4.629 -1.993 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.592 -0.518 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.983 -0.486 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.447 -1.417 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.470 -2.555 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.279 -3.493 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.704 -4.026 0.750 1.00 0.00 H new ATOM 157 N GLY A 10 2.265 -3.338 3.276 1.00 0.00 N ATOM 158 CA GLY A 10 0.989 -3.186 2.643 1.00 0.00 C ATOM 159 C GLY A 10 -0.014 -2.625 3.623 1.00 0.00 C ATOM 160 O GLY A 10 -0.787 -1.729 3.305 1.00 0.00 O ATOM 0 H GLY A 10 2.509 -4.299 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.078 -2.523 1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.643 -4.149 2.269 1.00 0.00 H new ATOM 164 N TRP A 11 -0.024 -3.180 4.825 1.00 0.00 N ATOM 165 CA TRP A 11 -0.982 -2.732 5.803 1.00 0.00 C ATOM 166 C TRP A 11 -0.801 -1.290 6.150 1.00 0.00 C ATOM 167 O TRP A 11 -1.766 -0.531 6.156 1.00 0.00 O ATOM 168 CB TRP A 11 -0.978 -3.574 7.064 1.00 0.00 C ATOM 169 CG TRP A 11 -2.392 -3.661 7.567 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.730 -3.670 8.861 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.664 -3.719 6.811 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.105 -3.773 8.966 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.722 -3.791 7.736 1.00 0.00 C ATOM 174 CE3 TRP A 11 -4.002 -3.726 5.433 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.056 -3.861 7.324 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.331 -3.792 5.017 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.362 -3.858 5.960 1.00 0.00 C ATOM 0 H TRP A 11 0.605 -3.921 5.134 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.955 -2.854 5.328 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.585 -4.569 6.857 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.331 -3.127 7.819 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.041 -3.607 9.690 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.605 -3.829 9.853 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.216 -3.679 4.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.847 -3.917 8.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.565 -3.792 3.963 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.391 -3.906 5.635 1.00 0.00 H new ATOM 188 N ALA A 12 0.424 -0.904 6.422 1.00 0.00 N ATOM 189 CA ALA A 12 0.681 0.466 6.745 1.00 0.00 C ATOM 190 C ALA A 12 0.245 1.325 5.563 1.00 0.00 C ATOM 191 O ALA A 12 -0.378 2.363 5.744 1.00 0.00 O ATOM 192 CB ALA A 12 2.158 0.667 7.052 1.00 0.00 C ATOM 0 H ALA A 12 1.242 -1.514 6.425 1.00 0.00 H new ATOM 0 HA ALA A 12 0.120 0.757 7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.340 1.714 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.442 0.042 7.899 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.752 0.389 6.181 1.00 0.00 H new ATOM 198 N THR A 13 0.517 0.839 4.342 1.00 0.00 N ATOM 199 CA THR A 13 0.095 1.537 3.136 1.00 0.00 C ATOM 200 C THR A 13 -1.408 1.757 3.193 1.00 0.00 C ATOM 201 O THR A 13 -1.884 2.854 2.938 1.00 0.00 O ATOM 202 CB THR A 13 0.471 0.691 1.905 1.00 0.00 C ATOM 203 OG1 THR A 13 1.678 1.185 1.366 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.622 0.751 0.831 1.00 0.00 C ATOM 0 H THR A 13 1.024 -0.030 4.173 1.00 0.00 H new ATOM 0 HA THR A 13 0.593 2.504 3.063 1.00 0.00 H new ATOM 0 HB THR A 13 0.583 -0.347 2.218 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.648 1.125 0.388 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.326 0.144 -0.024 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.557 0.369 1.241 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.762 1.784 0.511 1.00 0.00 H new ATOM 212 N TRP A 14 -2.124 0.689 3.536 1.00 0.00 N ATOM 213 CA TRP A 14 -3.578 0.715 3.635 1.00 0.00 C ATOM 214 C TRP A 14 -4.060 1.619 4.760 1.00 0.00 C ATOM 215 O TRP A 14 -4.984 2.401 4.580 1.00 0.00 O ATOM 216 CB TRP A 14 -4.066 -0.698 3.905 1.00 0.00 C ATOM 217 CG TRP A 14 -5.507 -0.825 3.548 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.525 -0.876 4.437 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.109 -0.929 2.229 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.709 -1.032 3.750 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.505 -1.069 2.390 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.593 -0.926 0.913 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.345 -1.206 1.299 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.439 -1.063 -0.171 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.802 -1.205 0.019 1.00 0.00 C ATOM 0 H TRP A 14 -1.711 -0.218 3.753 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.975 1.106 2.698 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.477 -1.410 3.327 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.922 -0.945 4.957 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.426 -0.806 5.510 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.624 -1.110 4.195 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.531 -0.816 0.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.410 -1.313 1.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.034 -1.059 -1.172 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.452 -1.316 -0.837 1.00 0.00 H new ATOM 236 N GLU A 15 -3.435 1.493 5.923 1.00 0.00 N ATOM 237 CA GLU A 15 -3.817 2.295 7.079 1.00 0.00 C ATOM 238 C GLU A 15 -3.611 3.777 6.766 1.00 0.00 C ATOM 239 O GLU A 15 -4.451 4.615 7.099 1.00 0.00 O ATOM 240 CB GLU A 15 -2.994 1.845 8.288 1.00 0.00 C ATOM 241 CG GLU A 15 -3.394 0.405 8.664 1.00 0.00 C ATOM 242 CD GLU A 15 -2.392 -0.182 9.655 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.598 -0.018 10.847 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.429 -0.786 9.207 1.00 0.00 O ATOM 0 H GLU A 15 -2.664 0.846 6.091 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.872 2.154 7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.930 1.891 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.166 2.515 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.393 0.400 9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.435 -0.214 7.768 1.00 0.00 H new ATOM 251 N ILE A 16 -2.520 4.070 6.057 1.00 0.00 N ATOM 252 CA ILE A 16 -2.224 5.435 5.613 1.00 0.00 C ATOM 253 C ILE A 16 -3.251 5.813 4.530 1.00 0.00 C ATOM 254 O ILE A 16 -3.711 6.954 4.452 1.00 0.00 O ATOM 255 CB ILE A 16 -0.781 5.484 5.045 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.237 5.147 6.153 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.451 6.876 4.484 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.628 4.890 5.542 1.00 0.00 C ATOM 0 H ILE A 16 -1.824 3.379 5.777 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.290 6.141 6.441 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.719 4.751 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.292 5.968 6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.094 4.267 6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.567 6.879 4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.148 7.120 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.537 7.618 5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.336 4.653 6.336 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.571 4.053 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.963 5.781 5.011 1.00 0.00 H new ATOM 270 N PHE A 17 -3.608 4.809 3.720 1.00 0.00 N ATOM 271 CA PHE A 17 -4.595 4.948 2.638 1.00 0.00 C ATOM 272 C PHE A 17 -5.972 5.282 3.217 1.00 0.00 C ATOM 273 O PHE A 17 -6.726 6.079 2.657 1.00 0.00 O ATOM 274 CB PHE A 17 -4.696 3.596 1.902 1.00 0.00 C ATOM 275 CG PHE A 17 -4.867 3.745 0.408 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.757 4.012 -0.408 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.125 3.544 -0.167 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.911 4.087 -1.794 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.279 3.608 -1.552 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.173 3.879 -2.365 1.00 0.00 C ATOM 0 H PHE A 17 -3.218 3.870 3.796 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.283 5.745 1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.798 3.012 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.538 3.033 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.784 4.160 0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.979 3.339 0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.060 4.304 -2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.251 3.449 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.293 3.928 -3.437 1.00 0.00 H new ATOM 290 N ASN A 18 -6.289 4.614 4.329 1.00 0.00 N ATOM 291 CA ASN A 18 -7.576 4.762 5.003 1.00 0.00 C ATOM 292 C ASN A 18 -7.578 5.880 6.052 1.00 0.00 C ATOM 293 O ASN A 18 -8.570 6.035 6.771 1.00 0.00 O ATOM 294 CB ASN A 18 -7.947 3.434 5.687 1.00 0.00 C ATOM 295 CG ASN A 18 -8.305 2.369 4.651 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.421 1.852 4.655 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.424 2.003 3.763 1.00 0.00 N ATOM 0 H ASN A 18 -5.658 3.955 4.786 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.307 5.031 4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.112 3.088 6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.790 3.590 6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.661 1.289 3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.498 2.430 3.757 1.00 0.00 H new ATOM 304 N LEU A 19 -6.495 6.664 6.158 1.00 0.00 N ATOM 305 CA LEU A 19 -6.478 7.735 7.151 1.00 0.00 C ATOM 306 C LEU A 19 -7.490 8.810 6.746 1.00 0.00 C ATOM 307 O LEU A 19 -7.572 9.168 5.570 1.00 0.00 O ATOM 308 CB LEU A 19 -5.080 8.343 7.307 1.00 0.00 C ATOM 309 CG LEU A 19 -4.377 7.743 8.541 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.005 8.357 8.665 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.144 8.067 9.823 1.00 0.00 C ATOM 0 H LEU A 19 -5.652 6.579 5.590 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.753 7.315 8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.489 8.150 6.412 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.155 9.425 7.412 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.325 6.662 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.497 7.940 9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.426 8.138 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.099 9.437 8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.625 7.631 10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.204 9.148 9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.150 7.653 9.760 1.00 0.00 H new ATOM 323 N PRO A 20 -8.294 9.294 7.671 1.00 0.00 N ATOM 324 CA PRO A 20 -9.359 10.297 7.383 1.00 0.00 C ATOM 325 C PRO A 20 -8.879 11.750 7.356 1.00 0.00 C ATOM 326 O PRO A 20 -9.714 12.655 7.448 1.00 0.00 O ATOM 327 CB PRO A 20 -10.356 10.095 8.550 1.00 0.00 C ATOM 328 CG PRO A 20 -9.795 9.008 9.408 1.00 0.00 C ATOM 329 CD PRO A 20 -8.311 8.968 9.099 1.00 0.00 C ATOM 0 HA PRO A 20 -9.771 10.140 6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.476 11.016 9.121 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.342 9.822 8.174 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.970 9.213 10.464 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.267 8.051 9.187 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.750 9.692 9.690 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.878 7.988 9.300 1.00 0.00 H new ATOM 337 N ASN A 21 -7.563 12.004 7.253 1.00 0.00 N ATOM 338 CA ASN A 21 -7.112 13.407 7.260 1.00 0.00 C ATOM 339 C ASN A 21 -5.899 13.668 6.365 1.00 0.00 C ATOM 340 O ASN A 21 -5.448 14.809 6.264 1.00 0.00 O ATOM 341 CB ASN A 21 -6.804 13.829 8.697 1.00 0.00 C ATOM 342 CG ASN A 21 -8.101 14.058 9.467 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.743 15.095 9.307 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.531 13.144 10.291 1.00 0.00 N ATOM 0 H ASN A 21 -6.829 11.301 7.168 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.925 14.004 6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.210 13.060 9.191 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.207 14.741 8.696 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.401 13.288 10.804 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.998 12.285 10.423 1.00 0.00 H new ATOM 351 N LEU A 22 -5.384 12.635 5.713 1.00 0.00 N ATOM 352 CA LEU A 22 -4.227 12.805 4.828 1.00 0.00 C ATOM 353 C LEU A 22 -4.661 13.158 3.418 1.00 0.00 C ATOM 354 O LEU A 22 -5.746 12.767 2.979 1.00 0.00 O ATOM 355 CB LEU A 22 -3.400 11.525 4.791 1.00 0.00 C ATOM 356 CG LEU A 22 -2.907 11.191 6.199 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.123 9.893 6.163 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.988 12.295 6.711 1.00 0.00 C ATOM 0 H LEU A 22 -5.739 11.681 5.774 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.625 13.623 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.001 10.703 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.552 11.648 4.117 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.770 11.097 6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.770 9.653 7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.765 9.090 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.269 10.002 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.644 12.045 7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.130 12.391 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.533 13.239 6.739 1.00 0.00 H new ATOM 370 N ASN A 23 -3.792 13.877 2.700 1.00 0.00 N ATOM 371 CA ASN A 23 -4.089 14.250 1.322 1.00 0.00 C ATOM 372 C ASN A 23 -3.385 13.281 0.383 1.00 0.00 C ATOM 373 O ASN A 23 -2.503 12.527 0.806 1.00 0.00 O ATOM 374 CB ASN A 23 -3.676 15.709 1.040 1.00 0.00 C ATOM 375 CG ASN A 23 -2.157 15.874 0.992 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.426 15.137 1.641 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.641 16.816 0.254 1.00 0.00 N ATOM 0 H ASN A 23 -2.891 14.206 3.048 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.164 14.188 1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.106 16.031 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.087 16.358 1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.629 16.939 0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.249 17.431 -0.287 1.00 0.00 H new ATOM 384 N GLY A 24 -3.797 13.285 -0.879 1.00 0.00 N ATOM 385 CA GLY A 24 -3.224 12.380 -1.874 1.00 0.00 C ATOM 386 C GLY A 24 -1.696 12.382 -1.850 1.00 0.00 C ATOM 387 O GLY A 24 -1.078 11.354 -2.104 1.00 0.00 O ATOM 0 H GLY A 24 -4.524 13.903 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.586 11.368 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.570 12.669 -2.866 1.00 0.00 H new ATOM 391 N VAL A 25 -1.097 13.537 -1.555 1.00 0.00 N ATOM 392 CA VAL A 25 0.361 13.651 -1.524 1.00 0.00 C ATOM 393 C VAL A 25 0.973 13.001 -0.285 1.00 0.00 C ATOM 394 O VAL A 25 1.923 12.230 -0.412 1.00 0.00 O ATOM 395 CB VAL A 25 0.769 15.121 -1.607 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.295 15.244 -1.494 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.313 15.675 -2.960 1.00 0.00 C ATOM 0 H VAL A 25 -1.595 14.400 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 25 0.748 13.112 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 25 0.307 15.681 -0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.581 16.294 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.624 14.832 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.766 14.693 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.596 16.725 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.788 15.111 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.770 15.584 -3.044 1.00 0.00 H new ATOM 407 N GLN A 26 0.454 13.311 0.907 1.00 0.00 N ATOM 408 CA GLN A 26 1.011 12.729 2.120 1.00 0.00 C ATOM 409 C GLN A 26 0.881 11.218 2.100 1.00 0.00 C ATOM 410 O GLN A 26 1.841 10.513 2.405 1.00 0.00 O ATOM 411 CB GLN A 26 0.343 13.321 3.357 1.00 0.00 C ATOM 412 CG GLN A 26 1.155 14.542 3.819 1.00 0.00 C ATOM 413 CD GLN A 26 0.224 15.618 4.336 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.331 15.451 5.485 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 -0.004 16.630 3.671 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.331 13.946 1.052 1.00 0.00 H new ATOM 0 HA GLN A 26 2.072 12.973 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.682 13.613 3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.294 12.577 4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.855 14.249 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.747 14.930 2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.441 16.753 2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.637 17.344 4.030 1.00 0.00 H new ATOM 424 N VAL A 27 -0.287 10.723 1.697 1.00 0.00 N ATOM 425 CA VAL A 27 -0.488 9.278 1.613 1.00 0.00 C ATOM 426 C VAL A 27 0.494 8.701 0.597 1.00 0.00 C ATOM 427 O VAL A 27 1.159 7.698 0.855 1.00 0.00 O ATOM 428 CB VAL A 27 -1.931 8.951 1.195 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.116 7.431 1.142 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.914 9.540 2.216 1.00 0.00 C ATOM 0 H VAL A 27 -1.093 11.287 1.429 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.312 8.835 2.593 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.124 9.382 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.139 7.199 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.423 7.005 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.918 7.006 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.935 9.305 1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.718 9.112 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.788 10.622 2.260 1.00 0.00 H new ATOM 440 N LYS A 28 0.591 9.379 -0.544 1.00 0.00 N ATOM 441 CA LYS A 28 1.507 8.987 -1.614 1.00 0.00 C ATOM 442 C LYS A 28 2.948 9.008 -1.112 1.00 0.00 C ATOM 443 O LYS A 28 3.763 8.178 -1.510 1.00 0.00 O ATOM 444 CB LYS A 28 1.336 9.957 -2.802 1.00 0.00 C ATOM 445 CG LYS A 28 2.254 9.582 -3.973 1.00 0.00 C ATOM 446 CD LYS A 28 2.181 10.691 -5.034 1.00 0.00 C ATOM 447 CE LYS A 28 3.009 10.303 -6.262 1.00 0.00 C ATOM 448 NZ LYS A 28 2.747 11.272 -7.363 1.00 0.00 N ATOM 0 H LYS A 28 0.040 10.212 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 28 1.276 7.972 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.298 9.947 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.556 10.974 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.280 9.460 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.948 8.628 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.144 10.859 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.552 11.628 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.070 10.298 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.753 9.293 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.890 10.803 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.767 11.614 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.401 12.077 -7.280 1.00 0.00 H new ATOM 462 N ALA A 29 3.244 9.967 -0.238 1.00 0.00 N ATOM 463 CA ALA A 29 4.578 10.114 0.321 1.00 0.00 C ATOM 464 C ALA A 29 4.883 8.998 1.280 1.00 0.00 C ATOM 465 O ALA A 29 5.975 8.435 1.261 1.00 0.00 O ATOM 466 CB ALA A 29 4.682 11.429 1.066 1.00 0.00 C ATOM 0 H ALA A 29 2.571 10.656 0.098 1.00 0.00 H new ATOM 0 HA ALA A 29 5.292 10.087 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.684 11.533 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.487 12.253 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.950 11.449 1.873 1.00 0.00 H new ATOM 472 N PHE A 30 3.907 8.681 2.118 1.00 0.00 N ATOM 473 CA PHE A 30 4.074 7.630 3.074 1.00 0.00 C ATOM 474 C PHE A 30 4.258 6.331 2.323 1.00 0.00 C ATOM 475 O PHE A 30 5.103 5.513 2.686 1.00 0.00 O ATOM 476 CB PHE A 30 2.871 7.575 4.016 1.00 0.00 C ATOM 477 CG PHE A 30 2.775 8.867 4.813 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.915 9.383 5.460 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.552 9.561 4.906 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.828 10.569 6.180 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.479 10.745 5.632 1.00 0.00 C ATOM 482 CZ PHE A 30 2.614 11.245 6.266 1.00 0.00 C ATOM 0 H PHE A 30 2.998 9.143 2.145 1.00 0.00 H new ATOM 0 HA PHE A 30 4.954 7.811 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.956 7.423 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.968 6.726 4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.856 8.857 5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.672 9.174 4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.703 10.966 6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.542 11.277 5.704 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.552 12.165 6.829 1.00 0.00 H new ATOM 492 N ILE A 31 3.504 6.181 1.224 1.00 0.00 N ATOM 493 CA ILE A 31 3.639 5.006 0.392 1.00 0.00 C ATOM 494 C ILE A 31 4.994 5.023 -0.282 1.00 0.00 C ATOM 495 O ILE A 31 5.662 4.006 -0.349 1.00 0.00 O ATOM 496 CB ILE A 31 2.509 4.933 -0.654 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.190 4.624 0.074 1.00 0.00 C ATOM 498 CG2 ILE A 31 2.789 3.835 -1.712 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.039 4.584 -0.927 1.00 0.00 C ATOM 0 H ILE A 31 2.808 6.855 0.905 1.00 0.00 H new ATOM 0 HA ILE A 31 3.560 4.118 1.019 1.00 0.00 H new ATOM 0 HB ILE A 31 2.447 5.889 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.266 3.668 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.997 5.383 0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.973 3.810 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.724 4.056 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.867 2.866 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.891 4.365 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.044 5.550 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.229 3.809 -1.669 1.00 0.00 H new ATOM 511 N ASP A 32 5.395 6.191 -0.763 1.00 0.00 N ATOM 512 CA ASP A 32 6.686 6.327 -1.430 1.00 0.00 C ATOM 513 C ASP A 32 7.818 5.969 -0.472 1.00 0.00 C ATOM 514 O ASP A 32 8.764 5.265 -0.831 1.00 0.00 O ATOM 515 CB ASP A 32 6.866 7.757 -1.951 1.00 0.00 C ATOM 516 CG ASP A 32 8.073 7.827 -2.884 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.898 7.574 -4.066 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.153 8.127 -2.403 1.00 0.00 O ATOM 0 H ASP A 32 4.852 7.053 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 32 6.714 5.640 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.968 8.075 -2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.003 8.443 -1.115 1.00 0.00 H new ATOM 523 N SER A 33 7.676 6.443 0.755 1.00 0.00 N ATOM 524 CA SER A 33 8.642 6.176 1.816 1.00 0.00 C ATOM 525 C SER A 33 8.627 4.688 2.161 1.00 0.00 C ATOM 526 O SER A 33 9.663 4.081 2.420 1.00 0.00 O ATOM 527 CB SER A 33 8.281 7.009 3.044 1.00 0.00 C ATOM 528 OG SER A 33 8.399 8.390 2.724 1.00 0.00 O ATOM 0 H SER A 33 6.890 7.024 1.047 1.00 0.00 H new ATOM 0 HA SER A 33 9.643 6.447 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.264 6.783 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.940 6.758 3.875 1.00 0.00 H new ATOM 0 HG SER A 33 7.638 8.664 2.170 1.00 0.00 H new ATOM 534 N LEU A 34 7.425 4.121 2.115 1.00 0.00 N ATOM 535 CA LEU A 34 7.198 2.698 2.370 1.00 0.00 C ATOM 536 C LEU A 34 8.006 1.867 1.374 1.00 0.00 C ATOM 537 O LEU A 34 8.765 0.980 1.762 1.00 0.00 O ATOM 538 CB LEU A 34 5.702 2.439 2.169 1.00 0.00 C ATOM 539 CG LEU A 34 4.951 2.335 3.493 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.577 2.996 3.379 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.747 0.871 3.808 1.00 0.00 C ATOM 0 H LEU A 34 6.573 4.638 1.898 1.00 0.00 H new ATOM 0 HA LEU A 34 7.507 2.424 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.273 3.244 1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.568 1.517 1.604 1.00 0.00 H new ATOM 0 HG LEU A 34 5.527 2.833 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.053 2.914 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.700 4.048 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.997 2.498 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.211 0.773 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.167 0.405 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.716 0.378 3.888 1.00 0.00 H new ATOM 553 N ARG A 35 7.838 2.179 0.092 1.00 0.00 N ATOM 554 CA ARG A 35 8.569 1.468 -0.975 1.00 0.00 C ATOM 555 C ARG A 35 10.077 1.609 -0.761 1.00 0.00 C ATOM 556 O ARG A 35 10.828 0.637 -0.860 1.00 0.00 O ATOM 557 CB ARG A 35 8.260 2.035 -2.379 1.00 0.00 C ATOM 558 CG ARG A 35 6.932 2.792 -2.398 1.00 0.00 C ATOM 559 CD ARG A 35 6.463 3.060 -3.834 1.00 0.00 C ATOM 560 NE ARG A 35 5.772 1.898 -4.367 1.00 0.00 N ATOM 561 CZ ARG A 35 6.433 0.914 -4.951 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.761 0.998 -6.204 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.762 -0.123 -4.260 1.00 0.00 N ATOM 0 H ARG A 35 7.210 2.911 -0.240 1.00 0.00 H new ATOM 0 HA ARG A 35 8.248 0.428 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.065 2.702 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.226 1.220 -3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.175 2.215 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.042 3.737 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.800 3.925 -3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.319 3.302 -4.464 1.00 0.00 H new ATOM 0 HE ARG A 35 4.757 1.841 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.509 1.826 -6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.271 0.236 -6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.512 -0.178 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.272 -0.888 -4.701 1.00 0.00 H new ATOM 577 N ASP A 36 10.497 2.846 -0.476 1.00 0.00 N ATOM 578 CA ASP A 36 11.904 3.165 -0.254 1.00 0.00 C ATOM 579 C ASP A 36 12.434 2.433 0.967 1.00 0.00 C ATOM 580 O ASP A 36 13.585 1.991 0.994 1.00 0.00 O ATOM 581 CB ASP A 36 12.063 4.668 -0.062 1.00 0.00 C ATOM 582 CG ASP A 36 13.543 5.046 -0.008 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.126 5.236 -1.063 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.074 5.133 1.088 1.00 0.00 O ATOM 0 H ASP A 36 9.872 3.648 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 36 12.476 2.845 -1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.575 5.199 -0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.568 4.978 0.859 1.00 0.00 H new ATOM 589 N ASP A 37 11.574 2.312 1.970 1.00 0.00 N ATOM 590 CA ASP A 37 11.935 1.634 3.205 1.00 0.00 C ATOM 591 C ASP A 37 10.704 1.005 3.841 1.00 0.00 C ATOM 592 O ASP A 37 9.937 1.671 4.543 1.00 0.00 O ATOM 593 CB ASP A 37 12.607 2.610 4.183 1.00 0.00 C ATOM 594 CG ASP A 37 13.314 1.837 5.299 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.642 1.113 6.017 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.519 1.976 5.420 1.00 0.00 O ATOM 0 H ASP A 37 10.621 2.675 1.951 1.00 0.00 H new ATOM 0 HA ASP A 37 12.647 0.843 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.326 3.233 3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.861 3.279 4.611 1.00 0.00 H new ATOM 601 N PRO A 38 10.502 -0.266 3.596 1.00 0.00 N ATOM 602 CA PRO A 38 9.341 -1.006 4.144 1.00 0.00 C ATOM 603 C PRO A 38 9.432 -1.222 5.647 1.00 0.00 C ATOM 604 O PRO A 38 8.412 -1.288 6.331 1.00 0.00 O ATOM 605 CB PRO A 38 9.342 -2.336 3.400 1.00 0.00 C ATOM 606 CG PRO A 38 10.484 -2.325 2.436 1.00 0.00 C ATOM 607 CD PRO A 38 11.362 -1.131 2.773 1.00 0.00 C ATOM 0 HA PRO A 38 8.419 -0.443 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.443 -3.165 4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.399 -2.478 2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.054 -3.251 2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.119 -2.254 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.256 -1.436 3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.697 -0.617 1.872 1.00 0.00 H new ATOM 615 N SER A 39 10.653 -1.313 6.156 1.00 0.00 N ATOM 616 CA SER A 39 10.859 -1.493 7.588 1.00 0.00 C ATOM 617 C SER A 39 10.275 -0.287 8.315 1.00 0.00 C ATOM 618 O SER A 39 9.825 -0.382 9.457 1.00 0.00 O ATOM 619 CB SER A 39 12.351 -1.624 7.903 1.00 0.00 C ATOM 620 OG SER A 39 12.929 -2.597 7.043 1.00 0.00 O ATOM 0 H SER A 39 11.510 -1.266 5.605 1.00 0.00 H new ATOM 0 HA SER A 39 10.363 -2.406 7.918 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.848 -0.663 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.490 -1.914 8.945 1.00 0.00 H new ATOM 0 HG SER A 39 13.885 -2.682 7.241 1.00 0.00 H new ATOM 626 N GLN A 40 10.290 0.848 7.612 1.00 0.00 N ATOM 627 CA GLN A 40 9.770 2.099 8.141 1.00 0.00 C ATOM 628 C GLN A 40 8.260 2.216 7.915 1.00 0.00 C ATOM 629 O GLN A 40 7.660 3.206 8.295 1.00 0.00 O ATOM 630 CB GLN A 40 10.474 3.283 7.456 1.00 0.00 C ATOM 631 CG GLN A 40 11.547 3.873 8.378 1.00 0.00 C ATOM 632 CD GLN A 40 12.746 2.931 8.475 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.634 1.830 9.015 1.00 0.00 O ATOM 634 NE2 GLN A 40 13.895 3.299 7.980 1.00 0.00 N ATOM 0 H GLN A 40 10.662 0.920 6.665 1.00 0.00 H new ATOM 0 HA GLN A 40 9.962 2.115 9.214 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.929 2.953 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.743 4.050 7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.869 4.843 7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.129 4.043 9.370 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.989 4.211 7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.700 2.675 8.040 1.00 0.00 H new ATOM 643 N SER A 41 7.652 1.221 7.283 1.00 0.00 N ATOM 644 CA SER A 41 6.216 1.272 6.992 1.00 0.00 C ATOM 645 C SER A 41 5.401 1.647 8.231 1.00 0.00 C ATOM 646 O SER A 41 4.429 2.396 8.140 1.00 0.00 O ATOM 647 CB SER A 41 5.762 -0.112 6.521 1.00 0.00 C ATOM 648 OG SER A 41 5.895 -1.046 7.588 1.00 0.00 O ATOM 0 H SER A 41 8.121 0.374 6.962 1.00 0.00 H new ATOM 0 HA SER A 41 6.052 2.030 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.725 -0.072 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.360 -0.431 5.668 1.00 0.00 H new ATOM 0 HG SER A 41 6.787 -1.450 7.559 1.00 0.00 H new ATOM 654 N ALA A 42 5.830 1.145 9.380 1.00 0.00 N ATOM 655 CA ALA A 42 5.170 1.437 10.644 1.00 0.00 C ATOM 656 C ALA A 42 5.356 2.898 11.001 1.00 0.00 C ATOM 657 O ALA A 42 4.453 3.560 11.508 1.00 0.00 O ATOM 658 CB ALA A 42 5.822 0.610 11.737 1.00 0.00 C ATOM 0 H ALA A 42 6.639 0.529 9.463 1.00 0.00 H new ATOM 0 HA ALA A 42 4.109 1.206 10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.337 0.819 12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.719 -0.449 11.502 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.880 0.865 11.805 1.00 0.00 H new ATOM 664 N ASN A 43 6.563 3.364 10.732 1.00 0.00 N ATOM 665 CA ASN A 43 6.959 4.723 11.008 1.00 0.00 C ATOM 666 C ASN A 43 6.214 5.706 10.118 1.00 0.00 C ATOM 667 O ASN A 43 5.889 6.813 10.521 1.00 0.00 O ATOM 668 CB ASN A 43 8.458 4.829 10.754 1.00 0.00 C ATOM 669 CG ASN A 43 9.240 4.379 11.985 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.220 5.051 13.016 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.930 3.273 11.939 1.00 0.00 N ATOM 0 H ASN A 43 7.300 2.798 10.311 1.00 0.00 H new ATOM 0 HA ASN A 43 6.719 4.971 12.042 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.732 4.214 9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.719 5.858 10.505 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.454 2.964 12.758 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.946 2.717 11.084 1.00 0.00 H new ATOM 678 N LEU A 44 5.969 5.270 8.902 1.00 0.00 N ATOM 679 CA LEU A 44 5.280 6.055 7.893 1.00 0.00 C ATOM 680 C LEU A 44 3.829 6.101 8.225 1.00 0.00 C ATOM 681 O LEU A 44 3.170 7.127 8.111 1.00 0.00 O ATOM 682 CB LEU A 44 5.557 5.384 6.563 1.00 0.00 C ATOM 683 CG LEU A 44 7.078 5.366 6.429 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.538 4.392 5.364 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.524 6.771 6.131 1.00 0.00 C ATOM 0 H LEU A 44 6.247 4.344 8.578 1.00 0.00 H new ATOM 0 HA LEU A 44 5.624 7.088 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.148 4.374 6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.096 5.933 5.742 1.00 0.00 H new ATOM 0 HG LEU A 44 7.530 5.020 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.626 4.410 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.206 3.387 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.114 4.678 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.609 6.794 6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.065 7.109 5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.222 7.429 6.946 1.00 0.00 H new ATOM 697 N LEU A 45 3.388 4.978 8.718 1.00 0.00 N ATOM 698 CA LEU A 45 2.033 4.840 9.197 1.00 0.00 C ATOM 699 C LEU A 45 1.892 5.749 10.409 1.00 0.00 C ATOM 700 O LEU A 45 0.875 6.406 10.612 1.00 0.00 O ATOM 701 CB LEU A 45 1.776 3.376 9.572 1.00 0.00 C ATOM 702 CG LEU A 45 0.511 3.246 10.423 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.691 3.847 9.684 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.270 1.765 10.707 1.00 0.00 C ATOM 0 H LEU A 45 3.952 4.132 8.801 1.00 0.00 H new ATOM 0 HA LEU A 45 1.305 5.121 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.674 2.777 8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.631 2.981 10.121 1.00 0.00 H new ATOM 0 HG LEU A 45 0.637 3.788 11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.584 3.748 10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.504 4.902 9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.840 3.319 8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.629 1.652 11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.142 1.230 9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.124 1.354 11.245 1.00 0.00 H new ATOM 716 N ALA A 46 2.965 5.792 11.187 1.00 0.00 N ATOM 717 CA ALA A 46 3.024 6.628 12.369 1.00 0.00 C ATOM 718 C ALA A 46 2.988 8.083 11.964 1.00 0.00 C ATOM 719 O ALA A 46 2.237 8.885 12.514 1.00 0.00 O ATOM 720 CB ALA A 46 4.330 6.376 13.117 1.00 0.00 C ATOM 0 H ALA A 46 3.812 5.250 11.015 1.00 0.00 H new ATOM 0 HA ALA A 46 2.173 6.390 13.007 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.369 7.007 14.005 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.383 5.329 13.414 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.173 6.612 12.467 1.00 0.00 H new ATOM 726 N GLU A 47 3.802 8.388 10.966 1.00 0.00 N ATOM 727 CA GLU A 47 3.891 9.715 10.423 1.00 0.00 C ATOM 728 C GLU A 47 2.564 10.107 9.840 1.00 0.00 C ATOM 729 O GLU A 47 2.136 11.245 9.944 1.00 0.00 O ATOM 730 CB GLU A 47 4.911 9.712 9.297 1.00 0.00 C ATOM 731 CG GLU A 47 6.346 9.804 9.809 1.00 0.00 C ATOM 732 CD GLU A 47 6.551 11.036 10.700 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.046 12.095 10.356 1.00 0.00 O ATOM 734 OE2 GLU A 47 7.217 10.901 11.712 1.00 0.00 O ATOM 0 H GLU A 47 4.418 7.712 10.515 1.00 0.00 H new ATOM 0 HA GLU A 47 4.179 10.412 11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.796 8.801 8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.712 10.550 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.590 8.903 10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.032 9.848 8.963 1.00 0.00 H new ATOM 741 N ALA A 48 1.927 9.134 9.220 1.00 0.00 N ATOM 742 CA ALA A 48 0.658 9.340 8.603 1.00 0.00 C ATOM 743 C ALA A 48 -0.379 9.640 9.657 1.00 0.00 C ATOM 744 O ALA A 48 -1.097 10.621 9.547 1.00 0.00 O ATOM 745 CB ALA A 48 0.317 8.083 7.835 1.00 0.00 C ATOM 0 H ALA A 48 2.285 8.183 9.137 1.00 0.00 H new ATOM 0 HA ALA A 48 0.683 10.190 7.921 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.651 8.205 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.082 7.899 7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.274 7.238 8.522 1.00 0.00 H new ATOM 751 N LYS A 49 -0.409 8.822 10.709 1.00 0.00 N ATOM 752 CA LYS A 49 -1.331 9.053 11.811 1.00 0.00 C ATOM 753 C LYS A 49 -1.038 10.410 12.421 1.00 0.00 C ATOM 754 O LYS A 49 -1.945 11.088 12.898 1.00 0.00 O ATOM 755 CB LYS A 49 -1.203 7.955 12.873 1.00 0.00 C ATOM 756 CG LYS A 49 -1.809 6.649 12.340 1.00 0.00 C ATOM 757 CD LYS A 49 -1.765 5.573 13.433 1.00 0.00 C ATOM 758 CE LYS A 49 -2.283 4.245 12.870 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.740 3.374 13.990 1.00 0.00 N ATOM 0 H LYS A 49 0.189 8.003 10.818 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.353 9.031 11.432 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.154 7.803 13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.714 8.258 13.787 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.838 6.817 12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.257 6.312 11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.745 5.452 13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.373 5.880 14.284 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.105 4.427 12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.496 3.746 12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.091 2.473 13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.944 3.190 14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.504 3.850 14.511 1.00 0.00 H new ATOM 773 N LYS A 50 0.236 10.814 12.372 1.00 0.00 N ATOM 774 CA LYS A 50 0.628 12.102 12.894 1.00 0.00 C ATOM 775 C LYS A 50 0.184 13.204 11.953 1.00 0.00 C ATOM 776 O LYS A 50 -0.267 14.262 12.392 1.00 0.00 O ATOM 777 CB LYS A 50 2.143 12.149 13.126 1.00 0.00 C ATOM 778 CG LYS A 50 2.486 11.404 14.425 1.00 0.00 C ATOM 779 CD LYS A 50 3.955 11.641 14.798 1.00 0.00 C ATOM 780 CE LYS A 50 4.877 10.952 13.785 1.00 0.00 C ATOM 781 NZ LYS A 50 6.246 10.834 14.359 1.00 0.00 N ATOM 0 H LYS A 50 0.999 10.264 11.977 1.00 0.00 H new ATOM 0 HA LYS A 50 0.138 12.257 13.855 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.665 11.693 12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.480 13.184 13.188 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.838 11.747 15.232 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.302 10.337 14.300 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.164 12.711 14.822 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.150 11.256 15.799 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.489 9.964 13.537 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.908 11.524 12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.946 10.828 13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.430 11.642 14.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.320 9.950 14.901 1.00 0.00 H new ATOM 795 N LEU A 51 0.301 12.934 10.660 1.00 0.00 N ATOM 796 CA LEU A 51 -0.106 13.894 9.652 1.00 0.00 C ATOM 797 C LEU A 51 -1.619 14.012 9.637 1.00 0.00 C ATOM 798 O LEU A 51 -2.168 15.111 9.581 1.00 0.00 O ATOM 799 CB LEU A 51 0.417 13.490 8.267 1.00 0.00 C ATOM 800 CG LEU A 51 1.731 14.219 7.947 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.545 15.738 8.080 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.848 13.740 8.890 1.00 0.00 C ATOM 0 H LEU A 51 0.674 12.060 10.289 1.00 0.00 H new ATOM 0 HA LEU A 51 0.324 14.864 9.901 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.576 12.412 8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.329 13.726 7.508 1.00 0.00 H new ATOM 0 HG LEU A 51 2.014 13.989 6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.484 16.241 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.775 16.072 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.244 15.980 9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.774 14.264 8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.567 13.949 9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.996 12.667 8.764 1.00 0.00 H new ATOM 814 N ASN A 52 -2.278 12.859 9.714 1.00 0.00 N ATOM 815 CA ASN A 52 -3.717 12.803 9.742 1.00 0.00 C ATOM 816 C ASN A 52 -4.193 13.517 10.992 1.00 0.00 C ATOM 817 O ASN A 52 -5.106 14.331 10.945 1.00 0.00 O ATOM 818 CB ASN A 52 -4.152 11.324 9.746 1.00 0.00 C ATOM 819 CG ASN A 52 -5.047 10.995 10.933 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.320 11.097 10.792 1.00 0.00 O flip ATOM 821 ND2 ASN A 52 -4.565 10.629 12.004 1.00 0.00 N flip ATOM 0 H ASN A 52 -1.822 11.947 9.758 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.153 13.289 8.869 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.681 11.099 8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.268 10.686 9.771 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.553 10.551 12.108 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.177 10.404 12.788 1.00 0.00 H new ATOM 828 N ASP A 53 -3.538 13.200 12.109 1.00 0.00 N ATOM 829 CA ASP A 53 -3.877 13.816 13.379 1.00 0.00 C ATOM 830 C ASP A 53 -3.653 15.320 13.307 1.00 0.00 C ATOM 831 O ASP A 53 -4.474 16.106 13.782 1.00 0.00 O ATOM 832 CB ASP A 53 -3.044 13.214 14.513 1.00 0.00 C ATOM 833 CG ASP A 53 -3.278 13.984 15.813 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.326 13.804 16.409 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.406 14.753 16.188 1.00 0.00 O ATOM 0 H ASP A 53 -2.775 12.524 12.154 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.930 13.622 13.585 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.309 12.166 14.651 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.986 13.243 14.251 1.00 0.00 H new ATOM 840 N ALA A 54 -2.538 15.704 12.691 1.00 0.00 N ATOM 841 CA ALA A 54 -2.203 17.106 12.531 1.00 0.00 C ATOM 842 C ALA A 54 -3.270 17.789 11.682 1.00 0.00 C ATOM 843 O ALA A 54 -3.661 18.926 11.950 1.00 0.00 O ATOM 844 CB ALA A 54 -0.836 17.232 11.856 1.00 0.00 C ATOM 0 H ALA A 54 -1.854 15.059 12.296 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.162 17.587 13.508 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.585 18.286 11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.080 16.747 12.473 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.868 16.753 10.877 1.00 0.00 H new ATOM 850 N GLN A 55 -3.748 17.061 10.670 1.00 0.00 N ATOM 851 CA GLN A 55 -4.788 17.567 9.781 1.00 0.00 C ATOM 852 C GLN A 55 -6.178 17.320 10.375 1.00 0.00 C ATOM 853 O GLN A 55 -7.183 17.801 9.846 1.00 0.00 O ATOM 854 CB GLN A 55 -4.656 16.876 8.425 1.00 0.00 C ATOM 855 CG GLN A 55 -3.440 17.441 7.683 1.00 0.00 C ATOM 856 CD GLN A 55 -3.109 16.563 6.485 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.690 15.348 6.688 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.235 16.989 5.337 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.429 16.118 10.448 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.667 18.643 9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.545 15.800 8.562 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.560 17.031 7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.646 18.459 7.353 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.584 17.491 8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.564 17.942 5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.011 16.389 4.543 1.00 0.00 H new ATOM 867 N ALA A 56 -6.220 16.573 11.481 1.00 0.00 N ATOM 868 CA ALA A 56 -7.477 16.262 12.160 1.00 0.00 C ATOM 869 C ALA A 56 -7.809 17.354 13.168 1.00 0.00 C ATOM 870 O ALA A 56 -6.925 17.813 13.890 1.00 0.00 O ATOM 871 CB ALA A 56 -7.377 14.911 12.880 1.00 0.00 C ATOM 0 H ALA A 56 -5.394 16.172 11.925 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.269 16.207 11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.321 14.695 13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.163 14.127 12.154 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.576 14.950 13.618 1.00 0.00 H new ATOM 981 N PHE B 5 -10.547 -11.776 1.841 1.00 0.00 N ATOM 982 CA PHE B 5 -9.212 -11.426 1.395 1.00 0.00 C ATOM 983 C PHE B 5 -8.629 -10.268 2.187 1.00 0.00 C ATOM 984 O PHE B 5 -7.645 -9.700 1.770 1.00 0.00 O ATOM 985 CB PHE B 5 -9.253 -11.063 -0.096 1.00 0.00 C ATOM 986 CG PHE B 5 -9.338 -12.334 -0.890 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.487 -13.119 -0.803 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.265 -12.739 -1.689 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.566 -14.319 -1.513 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.343 -13.934 -2.405 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.491 -14.726 -2.314 1.00 0.00 C ATOM 0 HA PHE B 5 -8.569 -12.291 1.558 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.111 -10.425 -0.308 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.362 -10.501 -0.374 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.315 -12.799 -0.187 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.377 -12.128 -1.752 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.453 -14.931 -1.445 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.518 -14.246 -3.028 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.550 -15.654 -2.863 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.216 -9.918 3.330 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.661 -8.817 4.128 1.00 0.00 C ATOM 1003 C ASN B 6 -7.190 -9.104 4.400 1.00 0.00 C ATOM 1004 O ASN B 6 -6.337 -8.254 4.161 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.427 -8.674 5.452 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.113 -7.329 6.112 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -7.879 -6.900 6.166 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -10.018 -6.647 6.588 1.00 0.00 N flip ATOM 0 H ASN B 6 -10.049 -10.361 3.718 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.760 -7.881 3.578 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.499 -8.754 5.269 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.156 -9.488 6.125 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -10.982 -6.979 6.548 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.805 -5.749 7.023 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.905 -10.328 4.840 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.531 -10.757 5.089 1.00 0.00 C ATOM 1017 C LYS B 7 -4.744 -10.758 3.781 1.00 0.00 C ATOM 1018 O LYS B 7 -3.617 -10.265 3.713 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.548 -12.179 5.678 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.117 -12.719 5.837 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.169 -14.194 6.260 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.752 -14.779 6.311 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.092 -14.614 4.982 1.00 0.00 N ATOM 0 H LYS B 7 -7.609 -11.041 5.032 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.057 -10.071 5.790 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.049 -12.171 6.646 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.121 -12.840 5.028 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.573 -12.618 4.898 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.577 -12.135 6.583 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.643 -14.283 7.238 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.779 -14.761 5.557 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.168 -14.277 7.083 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.793 -15.835 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.240 -15.209 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.751 -14.900 4.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.825 -13.618 4.848 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.363 -11.340 2.758 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.760 -11.460 1.433 1.00 0.00 C ATOM 1039 C GLU B 8 -4.539 -10.092 0.782 1.00 0.00 C ATOM 1040 O GLU B 8 -3.581 -9.899 0.030 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.691 -12.302 0.539 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.923 -13.694 1.157 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.595 -14.345 1.558 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.775 -14.569 0.682 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.419 -14.609 2.739 1.00 0.00 O ATOM 0 H GLU B 8 -6.298 -11.742 2.824 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.787 -11.939 1.543 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.645 -11.790 0.414 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.253 -12.407 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.567 -13.605 2.032 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.443 -14.331 0.442 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.440 -9.160 1.071 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.380 -7.823 0.523 1.00 0.00 C ATOM 1054 C ARG B 9 -4.159 -7.105 1.064 1.00 0.00 C ATOM 1055 O ARG B 9 -3.447 -6.446 0.327 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.654 -7.055 0.908 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.690 -5.691 0.208 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.887 -4.885 0.719 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.712 -4.583 2.136 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.747 -4.542 2.967 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.688 -3.660 2.797 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -8.823 -5.388 3.949 1.00 0.00 N ATOM 0 H ARG B 9 -6.232 -9.317 1.694 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.308 -7.877 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.534 -7.636 0.631 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.690 -6.917 1.989 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.764 -5.148 0.399 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.763 -5.826 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.984 -3.960 0.150 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.807 -5.449 0.569 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.775 -4.400 2.496 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.632 -2.997 2.024 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.482 -3.631 3.437 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.088 -6.083 4.081 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.617 -5.358 4.588 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.923 -7.264 2.367 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.786 -6.629 3.031 1.00 0.00 C ATOM 1078 C VAL B 10 -1.482 -7.051 2.360 1.00 0.00 C ATOM 1079 O VAL B 10 -0.558 -6.249 2.223 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.746 -7.021 4.519 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.687 -6.190 5.241 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -4.129 -6.827 5.181 1.00 0.00 C ATOM 0 H VAL B 10 -4.506 -7.829 2.984 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.901 -5.548 2.950 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.486 -8.077 4.594 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.661 -6.470 6.294 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.711 -6.375 4.792 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.932 -5.132 5.153 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -4.073 -7.111 6.232 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.426 -5.781 5.103 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.865 -7.452 4.675 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.421 -8.315 1.948 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.230 -8.843 1.294 1.00 0.00 C ATOM 1094 C ILE B 11 -0.053 -8.218 -0.088 1.00 0.00 C ATOM 1095 O ILE B 11 1.051 -7.819 -0.438 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.320 -10.369 1.204 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.653 -10.917 2.619 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.019 -10.928 0.678 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.179 -12.159 2.968 1.00 0.00 C ATOM 0 H ILE B 11 -2.179 -8.989 2.055 1.00 0.00 H new ATOM 0 HA ILE B 11 0.646 -8.583 1.888 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.103 -10.679 0.512 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.471 -10.139 3.361 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.713 -11.165 2.671 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.959 -12.014 0.612 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.222 -10.516 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.823 -10.649 1.360 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.088 -12.507 3.966 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.023 -12.947 2.243 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.239 -11.906 2.943 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.148 -8.107 -0.854 1.00 0.00 N ATOM 1112 CA ALA B 12 -1.099 -7.492 -2.173 1.00 0.00 C ATOM 1113 C ALA B 12 -0.786 -6.030 -2.028 1.00 0.00 C ATOM 1114 O ALA B 12 0.041 -5.511 -2.763 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.439 -7.655 -2.873 1.00 0.00 C ATOM 0 H ALA B 12 -2.073 -8.437 -0.577 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.325 -7.978 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.393 -7.192 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.667 -8.716 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.219 -7.174 -2.282 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.410 -5.388 -1.037 1.00 0.00 N ATOM 1122 CA ILE B 13 -1.149 -3.984 -0.779 1.00 0.00 C ATOM 1123 C ILE B 13 0.340 -3.856 -0.539 1.00 0.00 C ATOM 1124 O ILE B 13 0.969 -2.939 -1.026 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.930 -3.500 0.464 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.445 -3.567 0.240 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.587 -2.045 0.763 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -4.154 -3.603 1.583 1.00 0.00 C ATOM 0 H ILE B 13 -2.090 -5.819 -0.411 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.470 -3.372 -1.622 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.648 -4.154 1.289 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.777 -2.703 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.699 -4.454 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -2.142 -1.713 1.640 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.518 -1.955 0.955 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.855 -1.425 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -5.231 -3.651 1.425 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.830 -4.481 2.142 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.910 -2.703 2.148 1.00 0.00 H new ATOM 1140 N GLY B 14 0.886 -4.827 0.185 1.00 0.00 N ATOM 1141 CA GLY B 14 2.317 -4.871 0.471 1.00 0.00 C ATOM 1142 C GLY B 14 3.125 -5.204 -0.772 1.00 0.00 C ATOM 1143 O GLY B 14 4.207 -4.667 -0.975 1.00 0.00 O ATOM 0 H GLY B 14 0.356 -5.600 0.587 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.639 -3.908 0.868 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.512 -5.616 1.243 1.00 0.00 H new ATOM 1147 N GLU B 15 2.603 -6.114 -1.588 1.00 0.00 N ATOM 1148 CA GLU B 15 3.293 -6.552 -2.783 1.00 0.00 C ATOM 1149 C GLU B 15 3.446 -5.405 -3.755 1.00 0.00 C ATOM 1150 O GLU B 15 4.500 -5.262 -4.373 1.00 0.00 O ATOM 1151 CB GLU B 15 2.535 -7.707 -3.417 1.00 0.00 C ATOM 1152 CG GLU B 15 3.505 -8.572 -4.244 1.00 0.00 C ATOM 1153 CD GLU B 15 2.806 -9.837 -4.748 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.319 -10.594 -3.923 1.00 0.00 O ATOM 1155 OE2 GLU B 15 2.775 -10.036 -5.950 1.00 0.00 O ATOM 0 H GLU B 15 1.699 -6.561 -1.437 1.00 0.00 H new ATOM 0 HA GLU B 15 4.292 -6.897 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.062 -8.312 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.738 -7.325 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.882 -7.997 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.367 -8.845 -3.635 1.00 0.00 H new ATOM 1162 N ILE B 16 2.413 -4.563 -3.871 1.00 0.00 N ATOM 1163 CA ILE B 16 2.543 -3.410 -4.782 1.00 0.00 C ATOM 1164 C ILE B 16 3.751 -2.594 -4.317 1.00 0.00 C ATOM 1165 O ILE B 16 4.614 -2.199 -5.104 1.00 0.00 O ATOM 1166 CB ILE B 16 1.339 -2.429 -4.741 1.00 0.00 C ATOM 1167 CG1 ILE B 16 -0.017 -3.136 -4.747 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.408 -1.502 -5.962 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.198 -3.918 -6.033 1.00 0.00 C ATOM 0 H ILE B 16 1.523 -4.644 -3.378 1.00 0.00 H new ATOM 0 HA ILE B 16 2.621 -3.817 -5.790 1.00 0.00 H new ATOM 0 HB ILE B 16 1.415 -1.874 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -0.088 -3.808 -3.892 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.817 -2.403 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.566 -0.810 -5.941 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.341 -0.939 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.366 -2.098 -6.874 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.168 -4.416 -6.023 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.149 -3.237 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.592 -4.664 -6.119 1.00 0.00 H new ATOM 1181 N MET B 17 3.767 -2.369 -3.009 1.00 0.00 N ATOM 1182 CA MET B 17 4.813 -1.617 -2.328 1.00 0.00 C ATOM 1183 C MET B 17 6.167 -2.337 -2.435 1.00 0.00 C ATOM 1184 O MET B 17 7.218 -1.700 -2.357 1.00 0.00 O ATOM 1185 CB MET B 17 4.400 -1.422 -0.874 1.00 0.00 C ATOM 1186 CG MET B 17 2.967 -0.881 -0.820 1.00 0.00 C ATOM 1187 SD MET B 17 2.934 0.813 -1.407 1.00 0.00 S ATOM 1188 CE MET B 17 3.960 1.483 -0.097 1.00 0.00 C ATOM 0 H MET B 17 3.040 -2.710 -2.380 1.00 0.00 H new ATOM 0 HA MET B 17 4.936 -0.643 -2.802 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.464 -2.368 -0.336 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.081 -0.728 -0.381 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.312 -1.500 -1.432 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.589 -0.929 0.201 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.509 2.398 0.286 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.043 0.754 0.709 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.953 1.704 -0.489 1.00 0.00 H new ATOM 1198 N ARG B 18 6.138 -3.662 -2.631 1.00 0.00 N ATOM 1199 CA ARG B 18 7.373 -4.434 -2.780 1.00 0.00 C ATOM 1200 C ARG B 18 7.987 -4.199 -4.158 1.00 0.00 C ATOM 1201 O ARG B 18 9.211 -4.145 -4.291 1.00 0.00 O ATOM 1202 CB ARG B 18 7.116 -5.927 -2.595 1.00 0.00 C ATOM 1203 CG ARG B 18 6.898 -6.266 -1.114 1.00 0.00 C ATOM 1204 CD ARG B 18 8.213 -6.181 -0.332 1.00 0.00 C ATOM 1205 NE ARG B 18 9.215 -7.069 -0.915 1.00 0.00 N ATOM 1206 CZ ARG B 18 10.432 -6.631 -1.217 1.00 0.00 C ATOM 1207 NH1 ARG B 18 10.613 -5.887 -2.273 1.00 0.00 N ATOM 1208 NH2 ARG B 18 11.443 -6.941 -0.458 1.00 0.00 N ATOM 0 H ARG B 18 5.282 -4.214 -2.689 1.00 0.00 H new ATOM 0 HA ARG B 18 8.065 -4.097 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.241 -6.224 -3.173 1.00 0.00 H new ATOM 0 HB3 ARG B 18 7.961 -6.496 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.170 -5.579 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.482 -7.269 -1.024 1.00 0.00 H new ATOM 0 HD2 ARG B 18 8.581 -5.155 -0.338 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.041 -6.452 0.710 1.00 0.00 H new ATOM 0 HE ARG B 18 8.976 -8.044 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG B 18 9.820 -5.642 -2.866 1.00 0.00 H new ATOM 0 HH12 ARG B 18 11.547 -5.550 -2.506 1.00 0.00 H new ATOM 0 HH21 ARG B 18 11.301 -7.521 0.369 1.00 0.00 H new ATOM 0 HH22 ARG B 18 12.377 -6.604 -0.690 1.00 0.00 H new ATOM 1222 N LEU B 19 7.126 -4.062 -5.180 1.00 0.00 N ATOM 1223 CA LEU B 19 7.594 -3.834 -6.551 1.00 0.00 C ATOM 1224 C LEU B 19 8.445 -2.567 -6.609 1.00 0.00 C ATOM 1225 O LEU B 19 7.931 -1.464 -6.416 1.00 0.00 O ATOM 1226 CB LEU B 19 6.414 -3.674 -7.517 1.00 0.00 C ATOM 1227 CG LEU B 19 5.502 -4.907 -7.536 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.238 -4.567 -8.308 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.178 -6.063 -8.249 1.00 0.00 C ATOM 0 H LEU B 19 6.112 -4.105 -5.081 1.00 0.00 H new ATOM 0 HA LEU B 19 8.185 -4.700 -6.848 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.831 -2.799 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.793 -3.491 -8.522 1.00 0.00 H new ATOM 0 HG LEU B 19 5.280 -5.190 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.580 -5.436 -8.329 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.727 -3.736 -7.821 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.499 -4.285 -9.328 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.514 -6.927 -8.251 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.403 -5.776 -9.276 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.104 -6.318 -7.733 1.00 0.00 H new ATOM 1241 N PRO B 20 9.729 -2.698 -6.854 1.00 0.00 N ATOM 1242 CA PRO B 20 10.659 -1.536 -6.914 1.00 0.00 C ATOM 1243 C PRO B 20 10.591 -0.741 -8.225 1.00 0.00 C ATOM 1244 O PRO B 20 11.341 0.225 -8.385 1.00 0.00 O ATOM 1245 CB PRO B 20 12.049 -2.171 -6.736 1.00 0.00 C ATOM 1246 CG PRO B 20 11.849 -3.642 -6.574 1.00 0.00 C ATOM 1247 CD PRO B 20 10.462 -3.952 -7.096 1.00 0.00 C ATOM 0 HA PRO B 20 10.403 -0.800 -6.152 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.680 -1.962 -7.600 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.553 -1.754 -5.864 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.605 -4.199 -7.128 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.943 -3.933 -5.528 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.478 -4.212 -8.154 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.010 -4.792 -6.568 1.00 0.00 H new ATOM 1255 N ASN B 21 9.718 -1.136 -9.164 1.00 0.00 N ATOM 1256 CA ASN B 21 9.626 -0.420 -10.442 1.00 0.00 C ATOM 1257 C ASN B 21 8.357 0.432 -10.526 1.00 0.00 C ATOM 1258 O ASN B 21 8.268 1.321 -11.375 1.00 0.00 O ATOM 1259 CB ASN B 21 9.661 -1.412 -11.607 1.00 0.00 C ATOM 1260 CG ASN B 21 10.907 -2.291 -11.535 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.831 -3.534 -11.915 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 11.976 -1.834 -11.130 1.00 0.00 N flip ATOM 0 H ASN B 21 9.081 -1.927 -9.066 1.00 0.00 H new ATOM 0 HA ASN B 21 10.484 0.249 -10.505 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.768 -2.037 -11.585 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.647 -0.870 -12.552 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.034 -0.860 -10.833 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.803 -2.429 -11.092 1.00 0.00 H new ATOM 1269 N LEU B 22 7.379 0.168 -9.650 1.00 0.00 N ATOM 1270 CA LEU B 22 6.133 0.941 -9.665 1.00 0.00 C ATOM 1271 C LEU B 22 6.321 2.342 -9.098 1.00 0.00 C ATOM 1272 O LEU B 22 7.209 2.593 -8.283 1.00 0.00 O ATOM 1273 CB LEU B 22 5.027 0.254 -8.844 1.00 0.00 C ATOM 1274 CG LEU B 22 4.643 -1.102 -9.425 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.357 -1.594 -8.756 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.399 -0.952 -10.908 1.00 0.00 C ATOM 0 H LEU B 22 7.424 -0.559 -8.936 1.00 0.00 H new ATOM 0 HA LEU B 22 5.842 1.002 -10.714 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.366 0.125 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.147 0.897 -8.812 1.00 0.00 H new ATOM 0 HG LEU B 22 5.446 -1.817 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.080 -2.564 -9.169 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.519 -1.690 -7.682 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.555 -0.879 -8.939 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.124 -1.918 -11.331 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.591 -0.240 -11.074 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.306 -0.590 -11.391 1.00 0.00 H new ATOM 1288 N ASN B 23 5.427 3.230 -9.519 1.00 0.00 N ATOM 1289 CA ASN B 23 5.410 4.607 -9.050 1.00 0.00 C ATOM 1290 C ASN B 23 4.542 4.647 -7.787 1.00 0.00 C ATOM 1291 O ASN B 23 3.658 3.809 -7.632 1.00 0.00 O ATOM 1292 CB ASN B 23 4.839 5.476 -10.209 1.00 0.00 C ATOM 1293 CG ASN B 23 3.858 6.562 -9.772 1.00 0.00 C ATOM 1294 OD1 ASN B 23 4.008 7.168 -8.731 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.855 6.856 -10.549 1.00 0.00 N ATOM 0 H ASN B 23 4.695 3.014 -10.195 1.00 0.00 H new ATOM 0 HA ASN B 23 6.395 4.994 -8.790 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.670 5.947 -10.735 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.340 4.821 -10.923 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.201 7.592 -10.281 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.723 6.351 -11.425 1.00 0.00 H new ATOM 1302 N SER B 24 4.775 5.616 -6.896 1.00 0.00 N ATOM 1303 CA SER B 24 3.974 5.709 -5.671 1.00 0.00 C ATOM 1304 C SER B 24 2.506 5.904 -6.035 1.00 0.00 C ATOM 1305 O SER B 24 1.623 5.271 -5.458 1.00 0.00 O ATOM 1306 CB SER B 24 4.475 6.855 -4.790 1.00 0.00 C ATOM 1307 OG SER B 24 4.607 8.031 -5.574 1.00 0.00 O ATOM 0 H SER B 24 5.495 6.332 -6.995 1.00 0.00 H new ATOM 0 HA SER B 24 4.075 4.783 -5.104 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.779 7.028 -3.969 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.434 6.593 -4.344 1.00 0.00 H new ATOM 0 HG SER B 24 5.208 8.660 -5.122 1.00 0.00 H new ATOM 1313 N LEU B 25 2.271 6.746 -7.038 1.00 0.00 N ATOM 1314 CA LEU B 25 0.932 6.994 -7.539 1.00 0.00 C ATOM 1315 C LEU B 25 0.417 5.756 -8.264 1.00 0.00 C ATOM 1316 O LEU B 25 -0.762 5.413 -8.149 1.00 0.00 O ATOM 1317 CB LEU B 25 0.925 8.198 -8.494 1.00 0.00 C ATOM 1318 CG LEU B 25 0.086 9.324 -7.918 1.00 0.00 C ATOM 1319 CD1 LEU B 25 0.064 10.512 -8.890 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.331 8.813 -7.688 1.00 0.00 C ATOM 0 H LEU B 25 3.001 7.270 -7.520 1.00 0.00 H new ATOM 0 HA LEU B 25 0.280 7.218 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.945 8.544 -8.661 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.527 7.899 -9.464 1.00 0.00 H new ATOM 0 HG LEU B 25 0.515 9.657 -6.973 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.540 11.316 -8.469 1.00 0.00 H new ATOM 0 HD12 LEU B 25 1.081 10.869 -9.051 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.365 10.196 -9.841 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.944 9.614 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.757 8.483 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.307 7.976 -6.990 1.00 0.00 H new ATOM 1332 N GLN B 26 1.311 5.064 -8.988 1.00 0.00 N ATOM 1333 CA GLN B 26 0.908 3.840 -9.689 1.00 0.00 C ATOM 1334 C GLN B 26 0.500 2.798 -8.668 1.00 0.00 C ATOM 1335 O GLN B 26 -0.442 2.034 -8.861 1.00 0.00 O ATOM 1336 CB GLN B 26 2.069 3.254 -10.488 1.00 0.00 C ATOM 1337 CG GLN B 26 2.059 3.734 -11.943 1.00 0.00 C ATOM 1338 CD GLN B 26 3.277 3.170 -12.665 1.00 0.00 C ATOM 1339 OE1 GLN B 26 4.095 2.380 -12.022 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.484 3.445 -13.845 1.00 0.00 N flip ATOM 0 H GLN B 26 2.291 5.323 -9.101 1.00 0.00 H new ATOM 0 HA GLN B 26 0.088 4.094 -10.361 1.00 0.00 H new ATOM 0 HB2 GLN B 26 3.012 3.536 -10.019 1.00 0.00 H new ATOM 0 HB3 GLN B 26 2.014 2.166 -10.464 1.00 0.00 H new ATOM 0 HG2 GLN B 26 1.144 3.409 -12.439 1.00 0.00 H new ATOM 0 HG3 GLN B 26 2.072 4.823 -11.979 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.844 4.062 -14.345 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.296 3.056 -14.324 1.00 0.00 H new ATOM 1349 N VAL B 27 1.247 2.790 -7.577 1.00 0.00 N ATOM 1350 CA VAL B 27 1.016 1.865 -6.493 1.00 0.00 C ATOM 1351 C VAL B 27 -0.328 2.152 -5.867 1.00 0.00 C ATOM 1352 O VAL B 27 -1.111 1.239 -5.627 1.00 0.00 O ATOM 1353 CB VAL B 27 2.183 1.960 -5.503 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.853 1.260 -4.179 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.400 1.286 -6.153 1.00 0.00 C ATOM 0 H VAL B 27 2.029 3.426 -7.423 1.00 0.00 H new ATOM 0 HA VAL B 27 0.980 0.836 -6.850 1.00 0.00 H new ATOM 0 HB VAL B 27 2.384 3.007 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.702 1.346 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.978 1.729 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.644 0.207 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.250 1.336 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.167 0.243 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.648 1.800 -7.082 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.617 3.432 -5.681 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.898 3.847 -5.162 1.00 0.00 C ATOM 1367 C VAL B 28 -2.987 3.367 -6.125 1.00 0.00 C ATOM 1368 O VAL B 28 -4.085 3.019 -5.708 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.946 5.375 -5.019 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.332 5.785 -4.519 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.872 5.845 -4.021 1.00 0.00 C ATOM 0 H VAL B 28 0.025 4.198 -5.885 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.058 3.413 -4.175 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.751 5.838 -5.987 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.375 6.869 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.088 5.459 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.522 5.319 -3.552 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.914 6.930 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.054 5.388 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.113 5.550 -4.381 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.654 3.343 -7.421 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.582 2.898 -8.451 1.00 0.00 C ATOM 1383 C ALA B 29 -3.998 1.460 -8.179 1.00 0.00 C ATOM 1384 O ALA B 29 -5.183 1.120 -8.243 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.898 2.991 -9.825 1.00 0.00 C ATOM 0 H ALA B 29 -1.742 3.630 -7.776 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.468 3.533 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.590 2.659 -10.599 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.607 4.024 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.012 2.357 -9.834 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.011 0.625 -7.852 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.255 -0.750 -7.550 1.00 0.00 C ATOM 1393 C PHE B 30 -3.917 -0.873 -6.187 1.00 0.00 C ATOM 1394 O PHE B 30 -4.894 -1.595 -6.051 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.918 -1.492 -7.610 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.373 -1.403 -9.028 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.113 -1.908 -10.115 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.140 -0.773 -9.264 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.614 -1.781 -11.410 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.343 -0.646 -10.560 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.392 -1.150 -11.634 1.00 0.00 C ATOM 0 H PHE B 30 -2.030 0.900 -7.794 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.938 -1.195 -8.274 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.211 -1.054 -6.905 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.051 -2.535 -7.321 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.064 -2.392 -9.945 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.434 -0.386 -8.435 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.177 -2.173 -12.244 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.289 -0.156 -10.737 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.013 -1.051 -12.640 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.421 -0.123 -5.193 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.017 -0.164 -3.853 1.00 0.00 C ATOM 1413 C ILE B 31 -5.491 0.223 -3.948 1.00 0.00 C ATOM 1414 O ILE B 31 -6.355 -0.430 -3.365 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.274 0.786 -2.897 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.800 0.353 -2.754 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.934 0.743 -1.512 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -0.985 1.513 -2.168 1.00 0.00 C ATOM 0 H ILE B 31 -2.625 0.507 -5.289 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.931 -1.175 -3.454 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.320 1.796 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.727 -0.521 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.398 0.065 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.406 1.416 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.975 1.055 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.890 -0.273 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.057 1.210 -2.066 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.049 2.375 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.383 1.779 -1.189 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.766 1.259 -4.729 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.141 1.704 -4.951 1.00 0.00 C ATOM 1432 C ASN B 32 -7.965 0.574 -5.569 1.00 0.00 C ATOM 1433 O ASN B 32 -9.160 0.460 -5.309 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.187 2.910 -5.904 1.00 0.00 C ATOM 1435 CG ASN B 32 -7.002 4.222 -5.148 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -6.087 5.064 -5.538 1.00 0.00 O flip ATOM 1437 ND2 ASN B 32 -7.720 4.495 -4.186 1.00 0.00 N flip ATOM 0 H ASN B 32 -5.060 1.808 -5.219 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.553 1.991 -3.984 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.407 2.810 -6.659 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.141 2.923 -6.431 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -8.436 3.836 -3.881 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.599 5.380 -3.694 1.00 0.00 H new ATOM 1444 N SER B 33 -7.310 -0.267 -6.385 1.00 0.00 N ATOM 1445 CA SER B 33 -7.979 -1.375 -7.024 1.00 0.00 C ATOM 1446 C SER B 33 -8.139 -2.521 -6.027 1.00 0.00 C ATOM 1447 O SER B 33 -9.113 -3.269 -6.095 1.00 0.00 O ATOM 1448 CB SER B 33 -7.254 -1.769 -8.307 1.00 0.00 C ATOM 1449 OG SER B 33 -7.651 -0.893 -9.353 1.00 0.00 O ATOM 0 H SER B 33 -6.318 -0.188 -6.608 1.00 0.00 H new ATOM 0 HA SER B 33 -8.984 -1.085 -7.330 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.175 -1.716 -8.161 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.489 -2.800 -8.570 1.00 0.00 H new ATOM 0 HG SER B 33 -7.187 -1.140 -10.180 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.215 -2.611 -5.047 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.344 -3.626 -3.989 1.00 0.00 C ATOM 1457 C LEU B 34 -8.642 -3.283 -3.270 1.00 0.00 C ATOM 1458 O LEU B 34 -9.477 -4.139 -2.975 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.155 -3.553 -2.995 1.00 0.00 C ATOM 1460 CG LEU B 34 -4.822 -3.739 -3.740 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -3.632 -3.598 -2.805 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -4.778 -5.115 -4.340 1.00 0.00 C ATOM 0 H LEU B 34 -6.395 -2.010 -4.969 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.346 -4.635 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.161 -2.592 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.263 -4.323 -2.232 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.762 -2.968 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.709 -3.736 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.638 -2.605 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.695 -4.352 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.835 -5.251 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.861 -5.860 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.606 -5.234 -5.038 1.00 0.00 H new ATOM 1474 N ARG B 35 -8.793 -1.976 -3.077 1.00 0.00 N ATOM 1475 CA ARG B 35 -9.995 -1.374 -2.478 1.00 0.00 C ATOM 1476 C ARG B 35 -11.221 -1.695 -3.326 1.00 0.00 C ATOM 1477 O ARG B 35 -12.261 -2.111 -2.810 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.801 0.159 -2.460 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.069 0.758 -1.068 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.941 1.731 -0.696 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.663 1.668 0.734 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.464 2.250 1.616 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.490 1.601 2.087 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.224 3.468 2.011 1.00 0.00 N ATOM 0 H ARG B 35 -8.081 -1.292 -3.332 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.141 -1.768 -1.472 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.783 0.399 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.471 0.618 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.027 1.278 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.135 -0.038 -0.326 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.040 1.485 -1.259 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.223 2.747 -0.973 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.837 1.167 1.062 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.676 0.647 1.777 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.108 2.047 2.766 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.419 3.975 1.642 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.841 3.915 2.689 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.076 -1.480 -4.630 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.150 -1.721 -5.586 1.00 0.00 C ATOM 1500 C ASP B 36 -12.554 -3.191 -5.603 1.00 0.00 C ATOM 1501 O ASP B 36 -13.739 -3.516 -5.705 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.676 -1.303 -6.987 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.419 0.211 -7.068 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -11.956 0.946 -6.251 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.681 0.614 -7.952 1.00 0.00 O ATOM 0 H ASP B 36 -10.214 -1.135 -5.052 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.019 -1.134 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.763 -1.842 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.427 -1.585 -7.725 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.557 -4.070 -5.515 1.00 0.00 N ATOM 1511 CA ASP B 37 -11.801 -5.511 -5.536 1.00 0.00 C ATOM 1512 C ASP B 37 -10.789 -6.246 -4.666 1.00 0.00 C ATOM 1513 O ASP B 37 -9.677 -6.553 -5.106 1.00 0.00 O ATOM 1514 CB ASP B 37 -11.738 -6.049 -6.977 1.00 0.00 C ATOM 1515 CG ASP B 37 -12.419 -5.084 -7.947 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -13.619 -5.205 -8.126 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -11.731 -4.237 -8.491 1.00 0.00 O ATOM 0 H ASP B 37 -10.574 -3.810 -5.429 1.00 0.00 H new ATOM 0 HA ASP B 37 -12.799 -5.687 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -10.698 -6.194 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.222 -7.024 -7.027 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.161 -6.541 -3.443 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.276 -7.269 -2.503 1.00 0.00 C ATOM 1524 C PRO B 38 -10.025 -8.702 -2.958 1.00 0.00 C ATOM 1525 O PRO B 38 -8.937 -9.247 -2.765 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.010 -7.250 -1.167 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.288 -6.495 -1.353 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.462 -6.213 -2.840 1.00 0.00 C ATOM 0 HA PRO B 38 -9.294 -6.800 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.213 -8.266 -0.829 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.396 -6.777 -0.401 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.130 -7.074 -0.975 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.264 -5.562 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.260 -6.821 -3.267 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.727 -5.171 -3.016 1.00 0.00 H new ATOM 1536 N SER B 39 -11.043 -9.297 -3.583 1.00 0.00 N ATOM 1537 CA SER B 39 -10.934 -10.654 -4.090 1.00 0.00 C ATOM 1538 C SER B 39 -9.914 -10.679 -5.216 1.00 0.00 C ATOM 1539 O SER B 39 -9.124 -11.618 -5.331 1.00 0.00 O ATOM 1540 CB SER B 39 -12.294 -11.141 -4.591 1.00 0.00 C ATOM 1541 OG SER B 39 -13.220 -11.136 -3.511 1.00 0.00 O ATOM 0 H SER B 39 -11.948 -8.856 -3.747 1.00 0.00 H new ATOM 0 HA SER B 39 -10.608 -11.320 -3.291 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.651 -10.497 -5.395 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.204 -12.146 -5.004 1.00 0.00 H new ATOM 0 HG SER B 39 -14.094 -11.446 -3.828 1.00 0.00 H new ATOM 1547 N GLN B 40 -9.927 -9.617 -6.031 1.00 0.00 N ATOM 1548 CA GLN B 40 -8.992 -9.494 -7.131 1.00 0.00 C ATOM 1549 C GLN B 40 -7.808 -8.641 -6.722 1.00 0.00 C ATOM 1550 O GLN B 40 -7.118 -8.095 -7.577 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.648 -8.919 -8.396 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.159 -9.205 -8.413 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.414 -10.703 -8.584 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.313 -11.291 -7.844 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -10.783 -11.354 -9.417 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.578 -8.837 -5.941 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.649 -10.500 -7.374 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.478 -7.843 -8.441 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.182 -9.353 -9.281 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.613 -8.856 -7.485 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.631 -8.654 -9.226 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -10.080 -10.896 -9.996 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -10.964 -12.352 -9.528 1.00 0.00 H new ATOM 1564 N SER B 41 -7.548 -8.545 -5.412 1.00 0.00 N ATOM 1565 CA SER B 41 -6.405 -7.777 -4.948 1.00 0.00 C ATOM 1566 C SER B 41 -5.151 -8.290 -5.641 1.00 0.00 C ATOM 1567 O SER B 41 -4.218 -7.542 -5.913 1.00 0.00 O ATOM 1568 CB SER B 41 -6.250 -7.943 -3.438 1.00 0.00 C ATOM 1569 OG SER B 41 -7.150 -7.071 -2.776 1.00 0.00 O ATOM 0 H SER B 41 -8.104 -8.981 -4.676 1.00 0.00 H new ATOM 0 HA SER B 41 -6.555 -6.723 -5.180 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.449 -8.976 -3.152 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.225 -7.722 -3.140 1.00 0.00 H new ATOM 0 HG SER B 41 -7.479 -7.500 -1.959 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.178 -9.580 -5.935 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.093 -10.253 -6.623 1.00 0.00 C ATOM 1577 C ALA B 42 -4.062 -9.866 -8.104 1.00 0.00 C ATOM 1578 O ALA B 42 -3.024 -9.960 -8.749 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.313 -11.758 -6.508 1.00 0.00 C ATOM 0 H ALA B 42 -5.960 -10.192 -5.700 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.146 -9.960 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.507 -12.284 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.323 -12.045 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.266 -12.022 -6.966 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.232 -9.476 -8.628 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.393 -9.117 -10.033 1.00 0.00 C ATOM 1587 C ASN B 43 -4.723 -7.808 -10.393 1.00 0.00 C ATOM 1588 O ASN B 43 -3.914 -7.754 -11.312 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.864 -8.989 -10.322 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.125 -9.036 -11.826 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.746 -8.037 -12.576 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.679 -10.010 -12.331 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.092 -9.402 -8.084 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.920 -9.900 -10.626 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.408 -9.794 -9.828 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.240 -8.052 -9.912 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.975 -10.790 -11.744 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.843 -10.038 -13.337 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.058 -6.753 -9.659 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.463 -5.469 -9.917 1.00 0.00 C ATOM 1601 C LEU B 44 -3.024 -5.529 -9.432 1.00 0.00 C ATOM 1602 O LEU B 44 -2.142 -4.872 -9.961 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.309 -4.291 -9.355 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.390 -4.238 -7.833 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.250 -5.368 -7.325 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.012 -4.238 -7.213 1.00 0.00 C ATOM 0 H LEU B 44 -5.731 -6.771 -8.892 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.450 -5.252 -10.985 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.887 -3.353 -9.716 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.320 -4.362 -9.757 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.861 -3.302 -7.534 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.303 -5.324 -6.237 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.253 -5.277 -7.742 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.816 -6.321 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.101 -4.200 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.483 -5.146 -7.502 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.456 -3.368 -7.562 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.795 -6.398 -8.449 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.460 -6.637 -7.948 1.00 0.00 C ATOM 1620 C LEU B 45 -0.706 -7.281 -9.091 1.00 0.00 C ATOM 1621 O LEU B 45 0.461 -6.998 -9.348 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.524 -7.574 -6.735 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.186 -8.289 -6.501 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.936 -7.258 -6.351 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.292 -9.155 -5.232 1.00 0.00 C ATOM 0 H LEU B 45 -3.523 -6.944 -7.989 1.00 0.00 H new ATOM 0 HA LEU B 45 -0.969 -5.721 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.792 -7.002 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.310 -8.313 -6.887 1.00 0.00 H new ATOM 0 HG LEU B 45 0.044 -8.928 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.883 -7.772 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU B 45 1.003 -6.658 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.722 -6.609 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.655 -9.666 -5.060 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.523 -8.520 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.084 -9.893 -5.360 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.450 -8.109 -9.809 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.929 -8.778 -10.980 1.00 0.00 C ATOM 1639 C ALA B 46 -0.583 -7.702 -12.000 1.00 0.00 C ATOM 1640 O ALA B 46 0.472 -7.724 -12.627 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.982 -9.739 -11.555 1.00 0.00 C ATOM 0 H ALA B 46 -2.422 -8.331 -9.595 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.046 -9.365 -10.727 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.578 -10.237 -12.436 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.242 -10.485 -10.804 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.874 -9.177 -11.833 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.486 -6.731 -12.098 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.316 -5.587 -12.970 1.00 0.00 C ATOM 1649 C GLU B 47 -0.121 -4.763 -12.512 1.00 0.00 C ATOM 1650 O GLU B 47 0.536 -4.101 -13.313 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.562 -4.683 -12.941 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.792 -5.400 -13.490 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.493 -6.068 -14.836 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.101 -5.368 -15.756 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.647 -7.277 -14.920 1.00 0.00 O ATOM 0 H GLU B 47 -2.358 -6.721 -11.570 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.161 -5.959 -13.983 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.755 -4.362 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.373 -3.784 -13.527 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.127 -6.152 -12.775 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.608 -4.687 -13.609 1.00 0.00 H new ATOM 1662 N ALA B 48 0.115 -4.775 -11.200 1.00 0.00 N ATOM 1663 CA ALA B 48 1.173 -4.003 -10.605 1.00 0.00 C ATOM 1664 C ALA B 48 2.513 -4.616 -10.875 1.00 0.00 C ATOM 1665 O ALA B 48 3.429 -3.937 -11.294 1.00 0.00 O ATOM 1666 CB ALA B 48 0.940 -3.964 -9.107 1.00 0.00 C ATOM 0 H ALA B 48 -0.428 -5.323 -10.533 1.00 0.00 H new ATOM 0 HA ALA B 48 1.167 -3.001 -11.034 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.730 -3.383 -8.631 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.025 -3.501 -8.901 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.947 -4.980 -8.711 1.00 0.00 H new ATOM 1672 N LYS B 49 2.611 -5.910 -10.655 1.00 0.00 N ATOM 1673 CA LYS B 49 3.851 -6.608 -10.912 1.00 0.00 C ATOM 1674 C LYS B 49 4.111 -6.557 -12.411 1.00 0.00 C ATOM 1675 O LYS B 49 5.254 -6.486 -12.851 1.00 0.00 O ATOM 1676 CB LYS B 49 3.781 -8.022 -10.345 1.00 0.00 C ATOM 1677 CG LYS B 49 2.662 -8.800 -11.008 1.00 0.00 C ATOM 1678 CD LYS B 49 2.631 -10.245 -10.482 1.00 0.00 C ATOM 1679 CE LYS B 49 1.997 -10.293 -9.083 1.00 0.00 C ATOM 1680 NZ LYS B 49 2.519 -11.474 -8.340 1.00 0.00 N ATOM 0 H LYS B 49 1.854 -6.495 -10.302 1.00 0.00 H new ATOM 0 HA LYS B 49 4.695 -6.135 -10.411 1.00 0.00 H new ATOM 0 HB2 LYS B 49 4.731 -8.532 -10.503 1.00 0.00 H new ATOM 0 HB3 LYS B 49 3.617 -7.982 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS B 49 1.706 -8.314 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.802 -8.802 -12.089 1.00 0.00 H new ATOM 0 HD2 LYS B 49 2.064 -10.876 -11.167 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.644 -10.646 -10.443 1.00 0.00 H new ATOM 0 HE2 LYS B 49 2.225 -9.377 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS B 49 0.912 -10.353 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 2.755 -11.195 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.795 -12.220 -8.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 3.373 -11.832 -8.814 1.00 0.00 H new ATOM 1694 N LYS B 50 3.016 -6.517 -13.181 1.00 0.00 N ATOM 1695 CA LYS B 50 3.102 -6.375 -14.628 1.00 0.00 C ATOM 1696 C LYS B 50 3.606 -4.980 -14.959 1.00 0.00 C ATOM 1697 O LYS B 50 4.422 -4.806 -15.856 1.00 0.00 O ATOM 1698 CB LYS B 50 1.734 -6.570 -15.268 1.00 0.00 C ATOM 1699 CG LYS B 50 1.401 -8.067 -15.388 1.00 0.00 C ATOM 1700 CD LYS B 50 -0.108 -8.260 -15.625 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.552 -7.507 -16.885 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.969 -7.851 -17.194 1.00 0.00 N ATOM 0 H LYS B 50 2.064 -6.581 -12.820 1.00 0.00 H new ATOM 0 HA LYS B 50 3.785 -7.131 -15.016 1.00 0.00 H new ATOM 0 HB2 LYS B 50 0.972 -6.069 -14.670 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.719 -6.108 -16.255 1.00 0.00 H new ATOM 0 HG2 LYS B 50 1.965 -8.507 -16.210 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.703 -8.588 -14.479 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -0.333 -9.321 -15.730 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -0.667 -7.899 -14.762 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.452 -6.432 -16.734 1.00 0.00 H new ATOM 0 HE3 LYS B 50 0.090 -7.772 -17.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.377 -7.120 -17.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -2.005 -8.772 -17.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.515 -7.901 -16.310 1.00 0.00 H new ATOM 1716 N LEU B 51 3.115 -3.985 -14.211 1.00 0.00 N ATOM 1717 CA LEU B 51 3.540 -2.602 -14.421 1.00 0.00 C ATOM 1718 C LEU B 51 4.968 -2.451 -13.981 1.00 0.00 C ATOM 1719 O LEU B 51 5.783 -1.806 -14.639 1.00 0.00 O ATOM 1720 CB LEU B 51 2.655 -1.635 -13.632 1.00 0.00 C ATOM 1721 CG LEU B 51 1.801 -0.836 -14.604 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.709 0.140 -15.367 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.093 -1.804 -15.571 1.00 0.00 C ATOM 0 H LEU B 51 2.432 -4.112 -13.465 1.00 0.00 H new ATOM 0 HA LEU B 51 3.449 -2.364 -15.481 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.020 -2.187 -12.939 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.271 -0.964 -13.034 1.00 0.00 H new ATOM 0 HG LEU B 51 1.040 -0.267 -14.071 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.110 0.721 -16.069 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.195 0.813 -14.660 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.467 -0.420 -15.914 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.479 -1.236 -16.270 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.838 -2.376 -16.124 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.460 -2.486 -15.004 1.00 0.00 H new ATOM 1735 N ASN B 52 5.259 -3.108 -12.881 1.00 0.00 N ATOM 1736 CA ASN B 52 6.588 -3.133 -12.341 1.00 0.00 C ATOM 1737 C ASN B 52 7.470 -3.724 -13.399 1.00 0.00 C ATOM 1738 O ASN B 52 8.539 -3.212 -13.719 1.00 0.00 O ATOM 1739 CB ASN B 52 6.588 -4.027 -11.113 1.00 0.00 C ATOM 1740 CG ASN B 52 7.999 -4.466 -10.765 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.685 -3.747 -9.955 1.00 0.00 O flip ATOM 1742 ND2 ASN B 52 8.478 -5.492 -11.245 1.00 0.00 N flip ATOM 0 H ASN B 52 4.576 -3.638 -12.340 1.00 0.00 H new ATOM 0 HA ASN B 52 6.936 -2.139 -12.059 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.150 -3.494 -10.269 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.965 -4.902 -11.295 1.00 0.00 H new ATOM 0 HD21 ASN B 52 7.927 -6.059 -11.889 1.00 0.00 H new ATOM 0 HD22 ASN B 52 9.426 -5.775 -10.999 1.00 0.00 H new ATOM 1749 N ASP B 53 6.950 -4.801 -13.957 1.00 0.00 N ATOM 1750 CA ASP B 53 7.634 -5.503 -15.036 1.00 0.00 C ATOM 1751 C ASP B 53 7.751 -4.587 -16.249 1.00 0.00 C ATOM 1752 O ASP B 53 8.754 -4.604 -16.964 1.00 0.00 O ATOM 1753 CB ASP B 53 6.875 -6.771 -15.440 1.00 0.00 C ATOM 1754 CG ASP B 53 7.704 -7.572 -16.446 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.530 -8.358 -16.012 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.507 -7.379 -17.635 1.00 0.00 O ATOM 0 H ASP B 53 6.057 -5.212 -13.684 1.00 0.00 H new ATOM 0 HA ASP B 53 8.624 -5.787 -14.680 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.669 -7.379 -14.559 1.00 0.00 H new ATOM 0 HB3 ASP B 53 5.912 -6.506 -15.877 1.00 0.00 H new ATOM 1761 N ALA B 54 6.704 -3.790 -16.463 1.00 0.00 N ATOM 1762 CA ALA B 54 6.655 -2.859 -17.580 1.00 0.00 C ATOM 1763 C ALA B 54 7.749 -1.809 -17.444 1.00 0.00 C ATOM 1764 O ALA B 54 8.374 -1.419 -18.432 1.00 0.00 O ATOM 1765 CB ALA B 54 5.282 -2.186 -17.612 1.00 0.00 C ATOM 0 H ALA B 54 5.874 -3.774 -15.870 1.00 0.00 H new ATOM 0 HA ALA B 54 6.817 -3.404 -18.510 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.239 -1.487 -18.447 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.508 -2.944 -17.733 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.119 -1.647 -16.679 1.00 0.00 H new ATOM 1771 N GLN B 55 7.978 -1.367 -16.207 1.00 0.00 N ATOM 1772 CA GLN B 55 9.004 -0.371 -15.927 1.00 0.00 C ATOM 1773 C GLN B 55 10.352 -1.033 -15.651 1.00 0.00 C ATOM 1774 O GLN B 55 11.384 -0.360 -15.605 1.00 0.00 O ATOM 1775 CB GLN B 55 8.571 0.448 -14.731 1.00 0.00 C ATOM 1776 CG GLN B 55 7.332 1.265 -15.093 1.00 0.00 C ATOM 1777 CD GLN B 55 6.520 1.534 -13.841 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.984 0.528 -13.211 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.376 2.682 -13.421 1.00 0.00 N flip ATOM 0 H GLN B 55 7.465 -1.685 -15.385 1.00 0.00 H new ATOM 0 HA GLN B 55 9.124 0.273 -16.798 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.354 -0.208 -13.888 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.378 1.111 -14.420 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.627 2.206 -15.557 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.728 0.725 -15.822 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.799 3.464 -13.920 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.834 2.851 -12.574 1.00 0.00 H new ATOM 1788 N ALA B 56 10.332 -2.355 -15.471 1.00 0.00 N ATOM 1789 CA ALA B 56 11.558 -3.108 -15.202 1.00 0.00 C ATOM 1790 C ALA B 56 12.443 -3.157 -16.435 1.00 0.00 C ATOM 1791 O ALA B 56 11.999 -2.843 -17.543 1.00 0.00 O ATOM 1792 CB ALA B 56 11.235 -4.542 -14.778 1.00 0.00 C ATOM 0 H ALA B 56 9.486 -2.923 -15.506 1.00 0.00 H new ATOM 0 HA ALA B 56 12.082 -2.596 -14.394 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.162 -5.082 -14.584 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.628 -4.526 -13.873 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.685 -5.042 -15.575 1.00 0.00 H new