USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 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 : amide:sc= -1.64! X(o=-6.3!,f=-6.4) USER MOD Set 1.2: B 52 ASN :FLIP amide:sc= -4.63! C(o=-8.1!,f=-6.3!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= 0.026 F(o=-16!,f=-0.88) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -0.903 F(o=-3.7!,f=-0.88) USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -1.56 F(o=-12,f=-11) USER MOD Set 3.2: A 52 ASN : amide:sc= -9.24! C(o=-11!,f=-18!) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -112:sc= 1.07 (180deg=-0.178) USER MOD Set 4.2: B 23 ASN : amide:sc= -9! C(o=-5.8!,f=-16!) USER MOD Set 4.3: B 24 SER OG : rot -110:sc= 2.11 USER MOD Set 5.1: A 26 GLN :FLIP amide:sc= -0.429 F(o=-8.2!,f=-2.7) USER MOD Set 5.2: A 55 GLN :FLIP amide:sc= -2.27! C(o=-6.8!,f=-2.7!) USER MOD Set 6.1: A 13 THR OG1 : rot 117:sc= -2.78 USER MOD Set 6.2: B 17 MET CE :methyl -124:sc= -12.4! (180deg=-13.2!) USER MOD Single : A 4 LYS NZ :NH3+ -124:sc= 0.573 (180deg=-1.2!) USER MOD Single : A 6 ASN : amide:sc= -4.27 K(o=-4.3,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= -0.639 (180deg=-3.36!) USER MOD Single : A 18 ASN : amide:sc= -2.75 K(o=-2.7,f=-9.6!) USER MOD Single : A 23 ASN : amide:sc= -0.892 K(o=-0.89,f=-11!) USER MOD Single : A 33 SER OG : rot 74:sc= 0.744 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 41 SER OG : rot -93:sc= 0.438 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.487 (180deg=-1.57!) USER MOD Single : B 6 ASN :FLIP amide:sc= 0.0992 F(o=-1.5!,f=0.099) USER MOD Single : B 7 LYS NZ :NH3+ -135:sc= 0.661 (180deg=-0.402) USER MOD Single : B 32 ASN :FLIP amide:sc= -3.31! C(o=-4.2!,f=-3.3!) 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= -0.019 F(o=-0.79,f=-0.019) USER MOD Single : B 41 SER OG : rot 154:sc= -1.68! USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 167:sc= -2.81! (180deg=-3.09!) USER MOD Single : B 50 LYS NZ :NH3+ 172:sc= 1.06 (180deg=0.97) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.452 -10.824 6.824 1.00 0.00 N ATOM 46 CA LYS A 4 5.727 -9.970 7.766 1.00 0.00 C ATOM 47 C LYS A 4 5.875 -8.498 7.377 1.00 0.00 C ATOM 48 O LYS A 4 4.900 -7.752 7.370 1.00 0.00 O ATOM 49 CB LYS A 4 6.263 -10.185 9.182 1.00 0.00 C ATOM 50 CG LYS A 4 5.421 -9.396 10.191 1.00 0.00 C ATOM 51 CD LYS A 4 5.961 -9.645 11.601 1.00 0.00 C ATOM 52 CE LYS A 4 7.207 -8.782 11.842 1.00 0.00 C ATOM 53 NZ LYS A 4 6.793 -7.418 12.279 1.00 0.00 N ATOM 0 HA LYS A 4 4.671 -10.237 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.241 -11.246 9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.304 -9.866 9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.456 -8.332 9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.377 -9.702 10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.196 -9.409 12.340 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.209 -10.699 11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.839 -9.242 12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.800 -8.718 10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.205 -6.709 11.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.756 -7.346 12.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.129 -7.247 13.248 1.00 0.00 H new ATOM 67 N PHE A 5 7.103 -8.099 7.040 1.00 0.00 N ATOM 68 CA PHE A 5 7.379 -6.731 6.636 1.00 0.00 C ATOM 69 C PHE A 5 6.566 -6.374 5.391 1.00 0.00 C ATOM 70 O PHE A 5 6.049 -5.272 5.297 1.00 0.00 O ATOM 71 CB PHE A 5 8.885 -6.531 6.391 1.00 0.00 C ATOM 72 CG PHE A 5 9.293 -7.101 5.048 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.437 -8.483 4.887 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.532 -6.241 3.966 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.820 -9.008 3.648 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.913 -6.767 2.728 1.00 0.00 C ATOM 77 CZ PHE A 5 10.058 -8.150 2.569 1.00 0.00 C ATOM 0 H PHE A 5 7.920 -8.710 7.041 1.00 0.00 H new ATOM 0 HA PHE A 5 7.081 -6.061 7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.126 -5.469 6.428 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.454 -7.015 7.184 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.252 -9.145 5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.422 -5.174 4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.932 -10.075 3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.096 -6.106 1.894 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.354 -8.555 1.613 1.00 0.00 H new ATOM 87 N ASN A 6 6.441 -7.324 4.450 1.00 0.00 N ATOM 88 CA ASN A 6 5.657 -7.094 3.240 1.00 0.00 C ATOM 89 C ASN A 6 4.199 -6.909 3.606 1.00 0.00 C ATOM 90 O ASN A 6 3.527 -6.005 3.121 1.00 0.00 O ATOM 91 CB ASN A 6 5.758 -8.308 2.314 1.00 0.00 C ATOM 92 CG ASN A 6 5.018 -8.054 1.003 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.084 -6.961 0.464 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.293 -9.005 0.477 1.00 0.00 N ATOM 0 H ASN A 6 6.870 -8.247 4.508 1.00 0.00 H new ATOM 0 HA ASN A 6 6.043 -6.205 2.741 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.806 -8.528 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.339 -9.184 2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.779 -8.836 -0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.241 -9.917 0.931 1.00 0.00 H new ATOM 101 N LYS A 7 3.734 -7.784 4.486 1.00 0.00 N ATOM 102 CA LYS A 7 2.367 -7.749 4.942 1.00 0.00 C ATOM 103 C LYS A 7 2.116 -6.418 5.622 1.00 0.00 C ATOM 104 O LYS A 7 1.095 -5.769 5.410 1.00 0.00 O ATOM 105 CB LYS A 7 2.143 -8.919 5.914 1.00 0.00 C ATOM 106 CG LYS A 7 0.650 -9.216 6.029 1.00 0.00 C ATOM 107 CD LYS A 7 0.425 -10.596 6.662 1.00 0.00 C ATOM 108 CE LYS A 7 -0.785 -11.262 5.999 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.004 -10.436 6.238 1.00 0.00 N ATOM 0 H LYS A 7 4.295 -8.530 4.897 1.00 0.00 H new ATOM 0 HA LYS A 7 1.672 -7.850 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.673 -9.804 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.551 -8.673 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.166 -8.449 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.189 -9.182 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.312 -11.217 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.258 -10.495 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.612 -11.371 4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.928 -12.264 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.664 -10.553 5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.465 -10.743 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.734 -9.435 6.320 1.00 0.00 H new ATOM 123 N GLU A 8 3.084 -6.014 6.425 1.00 0.00 N ATOM 124 CA GLU A 8 2.998 -4.755 7.133 1.00 0.00 C ATOM 125 C GLU A 8 3.196 -3.570 6.185 1.00 0.00 C ATOM 126 O GLU A 8 2.523 -2.554 6.306 1.00 0.00 O ATOM 127 CB GLU A 8 4.033 -4.738 8.256 1.00 0.00 C ATOM 128 CG GLU A 8 3.610 -5.722 9.361 1.00 0.00 C ATOM 129 CD GLU A 8 4.695 -5.845 10.441 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.866 -5.688 10.120 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.339 -6.129 11.573 1.00 0.00 O ATOM 0 H GLU A 8 3.939 -6.542 6.601 1.00 0.00 H new ATOM 0 HA GLU A 8 2.001 -4.658 7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.013 -5.013 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.124 -3.732 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.678 -5.384 9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.415 -6.702 8.924 1.00 0.00 H new ATOM 138 N LEU A 9 4.094 -3.742 5.225 1.00 0.00 N ATOM 139 CA LEU A 9 4.369 -2.721 4.203 1.00 0.00 C ATOM 140 C LEU A 9 3.086 -2.451 3.454 1.00 0.00 C ATOM 141 O LEU A 9 2.757 -1.306 3.153 1.00 0.00 O ATOM 142 CB LEU A 9 5.464 -3.242 3.254 1.00 0.00 C ATOM 143 CG LEU A 9 5.620 -2.323 2.031 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.419 -1.064 2.360 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.346 -3.072 0.933 1.00 0.00 C ATOM 0 H LEU A 9 4.655 -4.588 5.126 1.00 0.00 H new ATOM 0 HA LEU A 9 4.722 -1.795 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.412 -3.306 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.215 -4.251 2.925 1.00 0.00 H new ATOM 0 HG LEU A 9 4.620 -2.026 1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.505 -0.444 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.909 -0.504 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.415 -1.344 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.459 -2.424 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.330 -3.376 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.772 -3.956 0.655 1.00 0.00 H new ATOM 157 N GLY A 10 2.342 -3.512 3.195 1.00 0.00 N ATOM 158 CA GLY A 10 1.089 -3.379 2.528 1.00 0.00 C ATOM 159 C GLY A 10 0.065 -2.780 3.461 1.00 0.00 C ATOM 160 O GLY A 10 -0.749 -1.948 3.073 1.00 0.00 O ATOM 0 H GLY A 10 2.596 -4.468 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.203 -2.748 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.748 -4.354 2.180 1.00 0.00 H new ATOM 164 N TRP A 11 0.079 -3.238 4.698 1.00 0.00 N ATOM 165 CA TRP A 11 -0.888 -2.753 5.646 1.00 0.00 C ATOM 166 C TRP A 11 -0.689 -1.331 6.050 1.00 0.00 C ATOM 167 O TRP A 11 -1.645 -0.555 6.032 1.00 0.00 O ATOM 168 CB TRP A 11 -0.998 -3.654 6.852 1.00 0.00 C ATOM 169 CG TRP A 11 -2.451 -3.741 7.227 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.895 -3.834 8.481 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.655 -3.714 6.366 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.278 -3.898 8.469 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.788 -3.816 7.192 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.871 -3.621 4.968 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.080 -3.821 6.664 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.153 -3.622 4.435 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.265 -3.720 5.279 1.00 0.00 C ATOM 0 H TRP A 11 0.736 -3.930 5.059 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.839 -2.778 5.113 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.601 -4.644 6.627 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.412 -3.257 7.681 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.275 -3.856 9.365 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.852 -3.994 9.307 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.022 -3.548 4.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.934 -3.902 7.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.292 -3.547 3.367 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.262 -3.718 4.864 1.00 0.00 H new ATOM 188 N ALA A 12 0.517 -0.970 6.410 1.00 0.00 N ATOM 189 CA ALA A 12 0.750 0.387 6.802 1.00 0.00 C ATOM 190 C ALA A 12 0.330 1.294 5.641 1.00 0.00 C ATOM 191 O ALA A 12 -0.305 2.320 5.844 1.00 0.00 O ATOM 192 CB ALA A 12 2.217 0.583 7.180 1.00 0.00 C ATOM 0 H ALA A 12 1.331 -1.583 6.438 1.00 0.00 H new ATOM 0 HA ALA A 12 0.162 0.643 7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.381 1.619 7.476 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.470 -0.076 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.848 0.346 6.323 1.00 0.00 H new ATOM 198 N THR A 13 0.625 0.845 4.413 1.00 0.00 N ATOM 199 CA THR A 13 0.222 1.560 3.205 1.00 0.00 C ATOM 200 C THR A 13 -1.289 1.764 3.195 1.00 0.00 C ATOM 201 O THR A 13 -1.759 2.869 2.947 1.00 0.00 O ATOM 202 CB THR A 13 0.658 0.728 2.001 1.00 0.00 C ATOM 203 OG1 THR A 13 2.049 0.881 1.832 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.066 1.163 0.732 1.00 0.00 C ATOM 0 H THR A 13 1.144 -0.015 4.235 1.00 0.00 H new ATOM 0 HA THR A 13 0.691 2.543 3.170 1.00 0.00 H new ATOM 0 HB THR A 13 0.406 -0.317 2.183 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.491 0.015 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.268 0.550 -0.106 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.141 1.040 0.866 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.156 2.210 0.527 1.00 0.00 H new ATOM 212 N TRP A 14 -2.029 0.693 3.487 1.00 0.00 N ATOM 213 CA TRP A 14 -3.494 0.737 3.527 1.00 0.00 C ATOM 214 C TRP A 14 -4.000 1.636 4.643 1.00 0.00 C ATOM 215 O TRP A 14 -4.908 2.430 4.450 1.00 0.00 O ATOM 216 CB TRP A 14 -4.016 -0.664 3.793 1.00 0.00 C ATOM 217 CG TRP A 14 -5.481 -0.771 3.486 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.457 -0.806 4.421 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.154 -0.889 2.194 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.672 -0.988 3.797 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.540 -1.039 2.429 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.713 -0.897 0.853 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.439 -1.200 1.384 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.614 -1.056 -0.184 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.966 -1.213 0.075 1.00 0.00 C ATOM 0 H TRP A 14 -1.635 -0.223 3.701 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.843 1.128 2.571 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.463 -1.381 3.187 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.841 -0.927 4.836 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.308 -0.707 5.486 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.561 -1.074 4.290 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.662 -0.778 0.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.494 -1.314 1.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.261 -1.058 -1.205 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.657 -1.346 -0.744 1.00 0.00 H new ATOM 236 N GLU A 15 -3.413 1.477 5.821 1.00 0.00 N ATOM 237 CA GLU A 15 -3.819 2.254 6.982 1.00 0.00 C ATOM 238 C GLU A 15 -3.603 3.743 6.706 1.00 0.00 C ATOM 239 O GLU A 15 -4.448 4.575 7.045 1.00 0.00 O ATOM 240 CB GLU A 15 -3.025 1.771 8.197 1.00 0.00 C ATOM 241 CG GLU A 15 -3.414 0.310 8.506 1.00 0.00 C ATOM 242 CD GLU A 15 -2.437 -0.296 9.511 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.651 -0.117 10.699 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.489 -0.933 9.077 1.00 0.00 O ATOM 0 H GLU A 15 -2.655 0.818 5.997 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.880 2.114 7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.955 1.842 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.233 2.406 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.427 0.273 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.412 -0.276 7.587 1.00 0.00 H new ATOM 251 N ILE A 16 -2.499 4.055 6.022 1.00 0.00 N ATOM 252 CA ILE A 16 -2.201 5.430 5.619 1.00 0.00 C ATOM 253 C ILE A 16 -3.208 5.837 4.534 1.00 0.00 C ATOM 254 O ILE A 16 -3.685 6.971 4.488 1.00 0.00 O ATOM 255 CB ILE A 16 -0.756 5.497 5.064 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.246 5.162 6.179 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.439 6.896 4.518 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.653 4.949 5.594 1.00 0.00 C ATOM 0 H ILE A 16 -1.797 3.373 5.736 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.280 6.109 6.468 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.674 4.773 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.268 5.970 6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.075 4.264 6.706 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.581 6.914 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.133 7.138 3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.540 7.630 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.350 4.713 6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.630 4.125 4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.978 5.858 5.088 1.00 0.00 H new ATOM 270 N PHE A 17 -3.525 4.858 3.683 1.00 0.00 N ATOM 271 CA PHE A 17 -4.484 5.016 2.585 1.00 0.00 C ATOM 272 C PHE A 17 -5.877 5.326 3.143 1.00 0.00 C ATOM 273 O PHE A 17 -6.647 6.084 2.552 1.00 0.00 O ATOM 274 CB PHE A 17 -4.549 3.681 1.825 1.00 0.00 C ATOM 275 CG PHE A 17 -4.768 3.857 0.342 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.688 4.151 -0.504 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.043 3.652 -0.193 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.886 4.237 -1.883 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.245 3.749 -1.570 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.166 4.037 -2.414 1.00 0.00 C ATOM 0 H PHE A 17 -3.119 3.924 3.737 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.171 5.831 1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.622 3.131 1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.355 3.074 2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.704 4.311 -0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.871 3.419 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.056 4.457 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.232 3.602 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.322 4.105 -3.481 1.00 0.00 H new ATOM 290 N ASN A 18 -6.189 4.678 4.269 1.00 0.00 N ATOM 291 CA ASN A 18 -7.491 4.806 4.921 1.00 0.00 C ATOM 292 C ASN A 18 -7.532 5.921 5.972 1.00 0.00 C ATOM 293 O ASN A 18 -8.552 6.072 6.652 1.00 0.00 O ATOM 294 CB ASN A 18 -7.849 3.474 5.601 1.00 0.00 C ATOM 295 CG ASN A 18 -8.011 2.351 4.574 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.339 2.334 3.544 1.00 0.00 O ATOM 297 ND2 ASN A 18 -8.872 1.401 4.801 1.00 0.00 N ATOM 0 H ASN A 18 -5.545 4.051 4.752 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.210 5.064 4.144 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.070 3.207 6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.774 3.589 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.988 0.645 4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.431 1.412 5.654 1.00 0.00 H new ATOM 304 N LEU A 19 -6.455 6.703 6.123 1.00 0.00 N ATOM 305 CA LEU A 19 -6.476 7.770 7.123 1.00 0.00 C ATOM 306 C LEU A 19 -7.462 8.855 6.686 1.00 0.00 C ATOM 307 O LEU A 19 -7.468 9.250 5.518 1.00 0.00 O ATOM 308 CB LEU A 19 -5.085 8.363 7.345 1.00 0.00 C ATOM 309 CG LEU A 19 -4.408 7.671 8.543 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.015 8.222 8.689 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.158 7.953 9.849 1.00 0.00 C ATOM 0 H LEU A 19 -5.591 6.621 5.587 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.799 7.346 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.478 8.235 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.162 9.435 7.528 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.404 6.597 8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.521 7.742 9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.449 8.026 7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.065 9.297 8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.654 7.450 10.674 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.174 9.027 10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.180 7.583 9.769 1.00 0.00 H new ATOM 323 N PRO A 20 -8.323 9.308 7.573 1.00 0.00 N ATOM 324 CA PRO A 20 -9.367 10.321 7.246 1.00 0.00 C ATOM 325 C PRO A 20 -8.892 11.779 7.189 1.00 0.00 C ATOM 326 O PRO A 20 -9.742 12.675 7.209 1.00 0.00 O ATOM 327 CB PRO A 20 -10.404 10.144 8.379 1.00 0.00 C ATOM 328 CG PRO A 20 -9.907 9.045 9.259 1.00 0.00 C ATOM 329 CD PRO A 20 -8.422 8.926 8.990 1.00 0.00 C ATOM 0 HA PRO A 20 -9.741 10.149 6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.519 11.069 8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.384 9.897 7.970 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.095 9.272 10.308 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.419 8.108 9.038 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.839 9.588 9.630 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.058 7.913 9.164 1.00 0.00 H new ATOM 337 N ASN A 21 -7.574 12.057 7.135 1.00 0.00 N ATOM 338 CA ASN A 21 -7.156 13.477 7.105 1.00 0.00 C ATOM 339 C ASN A 21 -5.924 13.738 6.241 1.00 0.00 C ATOM 340 O ASN A 21 -5.549 14.896 6.040 1.00 0.00 O ATOM 341 CB ASN A 21 -6.907 13.986 8.529 1.00 0.00 C ATOM 342 CG ASN A 21 -8.183 13.888 9.360 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.363 12.864 10.147 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.044 14.763 9.282 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.821 11.369 7.112 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.979 14.024 6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.115 13.402 8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.565 15.020 8.498 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.903 15.564 8.666 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.899 14.688 9.833 1.00 0.00 H new ATOM 351 N LEU A 22 -5.303 12.687 5.722 1.00 0.00 N ATOM 352 CA LEU A 22 -4.122 12.861 4.872 1.00 0.00 C ATOM 353 C LEU A 22 -4.528 13.244 3.461 1.00 0.00 C ATOM 354 O LEU A 22 -5.587 12.835 2.982 1.00 0.00 O ATOM 355 CB LEU A 22 -3.307 11.572 4.826 1.00 0.00 C ATOM 356 CG LEU A 22 -2.881 11.187 6.240 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.132 9.867 6.202 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.958 12.255 6.823 1.00 0.00 C ATOM 0 H LEU A 22 -5.587 11.718 5.868 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.516 13.660 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.899 10.771 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.429 11.707 4.194 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.773 11.098 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.828 9.592 7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.781 9.092 5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.248 9.968 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.661 11.968 7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.071 12.350 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.482 13.210 6.857 1.00 0.00 H new ATOM 370 N ASN A 23 -3.669 14.015 2.786 1.00 0.00 N ATOM 371 CA ASN A 23 -3.952 14.418 1.415 1.00 0.00 C ATOM 372 C ASN A 23 -3.267 13.451 0.461 1.00 0.00 C ATOM 373 O ASN A 23 -2.398 12.674 0.872 1.00 0.00 O ATOM 374 CB ASN A 23 -3.510 15.873 1.158 1.00 0.00 C ATOM 375 CG ASN A 23 -1.988 16.012 1.118 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.274 15.262 1.771 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.453 16.946 0.383 1.00 0.00 N ATOM 0 H ASN A 23 -2.788 14.365 3.163 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.028 14.382 1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.930 16.218 0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.912 16.517 1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.439 17.052 0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.048 17.571 -0.161 1.00 0.00 H new ATOM 384 N GLY A 24 -3.679 13.481 -0.802 1.00 0.00 N ATOM 385 CA GLY A 24 -3.124 12.582 -1.809 1.00 0.00 C ATOM 386 C GLY A 24 -1.598 12.549 -1.776 1.00 0.00 C ATOM 387 O GLY A 24 -1.000 11.510 -2.035 1.00 0.00 O ATOM 0 H GLY A 24 -4.395 14.117 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.511 11.576 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.457 12.897 -2.798 1.00 0.00 H new ATOM 391 N VAL A 25 -0.977 13.687 -1.466 1.00 0.00 N ATOM 392 CA VAL A 25 0.483 13.768 -1.423 1.00 0.00 C ATOM 393 C VAL A 25 1.070 13.092 -0.187 1.00 0.00 C ATOM 394 O VAL A 25 2.007 12.309 -0.315 1.00 0.00 O ATOM 395 CB VAL A 25 0.924 15.229 -1.491 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.451 15.317 -1.360 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.496 15.803 -2.846 1.00 0.00 C ATOM 0 H VAL A 25 -1.457 14.559 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 25 0.865 13.229 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 25 0.465 15.793 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.761 16.361 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.759 14.891 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.919 14.761 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.803 16.847 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.968 15.234 -3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.588 15.737 -2.943 1.00 0.00 H new ATOM 407 N GLN A 26 0.545 13.396 1.006 1.00 0.00 N ATOM 408 CA GLN A 26 1.079 12.788 2.216 1.00 0.00 C ATOM 409 C GLN A 26 0.932 11.279 2.170 1.00 0.00 C ATOM 410 O GLN A 26 1.876 10.557 2.477 1.00 0.00 O ATOM 411 CB GLN A 26 0.403 13.363 3.457 1.00 0.00 C ATOM 412 CG GLN A 26 1.224 14.563 3.960 1.00 0.00 C ATOM 413 CD GLN A 26 0.300 15.631 4.507 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.287 15.417 5.634 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.107 16.678 3.890 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.230 14.043 1.152 1.00 0.00 H new ATOM 0 HA GLN A 26 2.142 13.023 2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.615 13.674 3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.332 12.602 4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.918 14.239 4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.823 14.971 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.576 16.839 2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.522 17.385 4.270 1.00 0.00 H new ATOM 424 N VAL A 27 -0.237 10.806 1.742 1.00 0.00 N ATOM 425 CA VAL A 27 -0.459 9.366 1.632 1.00 0.00 C ATOM 426 C VAL A 27 0.528 8.789 0.622 1.00 0.00 C ATOM 427 O VAL A 27 1.180 7.777 0.878 1.00 0.00 O ATOM 428 CB VAL A 27 -1.899 9.069 1.185 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.103 7.552 1.091 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.888 9.646 2.205 1.00 0.00 C ATOM 0 H VAL A 27 -1.031 11.386 1.470 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.305 8.906 2.608 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.072 9.526 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.124 7.341 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.404 7.135 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.925 7.100 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.908 9.433 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.712 9.191 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.748 10.725 2.277 1.00 0.00 H new ATOM 440 N LYS A 28 0.642 9.475 -0.512 1.00 0.00 N ATOM 441 CA LYS A 28 1.562 9.080 -1.575 1.00 0.00 C ATOM 442 C LYS A 28 3.003 9.092 -1.061 1.00 0.00 C ATOM 443 O LYS A 28 3.817 8.257 -1.452 1.00 0.00 O ATOM 444 CB LYS A 28 1.404 10.051 -2.765 1.00 0.00 C ATOM 445 CG LYS A 28 2.245 9.597 -3.963 1.00 0.00 C ATOM 446 CD LYS A 28 2.204 10.682 -5.050 1.00 0.00 C ATOM 447 CE LYS A 28 3.064 10.262 -6.248 1.00 0.00 C ATOM 448 NZ LYS A 28 4.504 10.271 -5.856 1.00 0.00 N ATOM 0 H LYS A 28 0.103 10.316 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 28 1.328 8.067 -1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.355 10.109 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.707 11.054 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.274 9.416 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.860 8.656 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.176 10.847 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.567 11.627 -4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.774 9.267 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.899 10.943 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.997 11.035 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.584 10.427 -4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.936 9.358 -6.102 1.00 0.00 H new ATOM 462 N ALA A 29 3.295 10.049 -0.181 1.00 0.00 N ATOM 463 CA ALA A 29 4.622 10.191 0.395 1.00 0.00 C ATOM 464 C ALA A 29 4.916 9.067 1.349 1.00 0.00 C ATOM 465 O ALA A 29 6.007 8.502 1.338 1.00 0.00 O ATOM 466 CB ALA A 29 4.719 11.499 1.154 1.00 0.00 C ATOM 0 H ALA A 29 2.621 10.740 0.148 1.00 0.00 H new ATOM 0 HA ALA A 29 5.344 10.171 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.716 11.598 1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.533 12.329 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.978 11.512 1.953 1.00 0.00 H new ATOM 472 N PHE A 30 3.928 8.743 2.171 1.00 0.00 N ATOM 473 CA PHE A 30 4.081 7.682 3.116 1.00 0.00 C ATOM 474 C PHE A 30 4.278 6.397 2.345 1.00 0.00 C ATOM 475 O PHE A 30 5.122 5.577 2.706 1.00 0.00 O ATOM 476 CB PHE A 30 2.866 7.613 4.037 1.00 0.00 C ATOM 477 CG PHE A 30 2.756 8.891 4.856 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.884 9.403 5.524 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.526 9.571 4.953 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.780 10.577 6.266 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.436 10.742 5.700 1.00 0.00 C ATOM 482 CZ PHE A 30 2.560 11.243 6.352 1.00 0.00 C ATOM 0 H PHE A 30 3.020 9.207 2.191 1.00 0.00 H new ATOM 0 HA PHE A 30 4.948 7.854 3.753 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.961 7.471 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.952 6.753 4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.830 8.886 5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.653 9.184 4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.647 10.971 6.775 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.493 11.263 5.774 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.485 12.154 6.928 1.00 0.00 H new ATOM 492 N ILE A 31 3.546 6.264 1.228 1.00 0.00 N ATOM 493 CA ILE A 31 3.710 5.104 0.379 1.00 0.00 C ATOM 494 C ILE A 31 5.108 5.125 -0.205 1.00 0.00 C ATOM 495 O ILE A 31 5.792 4.118 -0.200 1.00 0.00 O ATOM 496 CB ILE A 31 2.650 5.061 -0.741 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.282 4.730 -0.116 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.014 3.992 -1.806 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.194 4.719 -1.191 1.00 0.00 C ATOM 0 H ILE A 31 2.851 6.938 0.907 1.00 0.00 H new ATOM 0 HA ILE A 31 3.570 4.204 0.978 1.00 0.00 H new ATOM 0 HB ILE A 31 2.613 6.032 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.325 3.759 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.038 5.465 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.252 3.980 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.981 4.233 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.065 3.011 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.767 4.484 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.140 5.699 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.432 3.966 -1.942 1.00 0.00 H new ATOM 511 N ASP A 32 5.525 6.292 -0.680 1.00 0.00 N ATOM 512 CA ASP A 32 6.859 6.441 -1.258 1.00 0.00 C ATOM 513 C ASP A 32 7.931 6.037 -0.256 1.00 0.00 C ATOM 514 O ASP A 32 8.873 5.313 -0.584 1.00 0.00 O ATOM 515 CB ASP A 32 7.091 7.897 -1.703 1.00 0.00 C ATOM 516 CG ASP A 32 6.634 8.103 -3.145 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.174 7.440 -4.018 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.764 8.932 -3.361 1.00 0.00 O ATOM 0 H ASP A 32 4.965 7.145 -0.678 1.00 0.00 H new ATOM 0 HA ASP A 32 6.925 5.785 -2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.547 8.574 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.149 8.145 -1.613 1.00 0.00 H new ATOM 523 N SER A 33 7.749 6.500 0.966 1.00 0.00 N ATOM 524 CA SER A 33 8.665 6.194 2.058 1.00 0.00 C ATOM 525 C SER A 33 8.619 4.698 2.363 1.00 0.00 C ATOM 526 O SER A 33 9.638 4.078 2.655 1.00 0.00 O ATOM 527 CB SER A 33 8.263 7.005 3.287 1.00 0.00 C ATOM 528 OG SER A 33 8.351 8.391 2.982 1.00 0.00 O ATOM 0 H SER A 33 6.966 7.097 1.233 1.00 0.00 H new ATOM 0 HA SER A 33 9.684 6.457 1.775 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.247 6.751 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.915 6.763 4.126 1.00 0.00 H new ATOM 0 HG SER A 33 7.605 8.646 2.399 1.00 0.00 H new ATOM 534 N LEU A 34 7.418 4.139 2.253 1.00 0.00 N ATOM 535 CA LEU A 34 7.177 2.712 2.465 1.00 0.00 C ATOM 536 C LEU A 34 7.983 1.898 1.454 1.00 0.00 C ATOM 537 O LEU A 34 8.734 0.999 1.825 1.00 0.00 O ATOM 538 CB LEU A 34 5.682 2.468 2.253 1.00 0.00 C ATOM 539 CG LEU A 34 4.935 2.337 3.577 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.641 3.151 3.545 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.582 0.881 3.781 1.00 0.00 C ATOM 0 H LEU A 34 6.578 4.665 2.013 1.00 0.00 H new ATOM 0 HA LEU A 34 7.480 2.411 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.258 3.290 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.542 1.561 1.665 1.00 0.00 H new ATOM 0 HG LEU A 34 5.567 2.706 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.121 3.046 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.876 4.202 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.002 2.787 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.047 0.765 4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.950 0.541 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.495 0.285 3.807 1.00 0.00 H new ATOM 553 N ARG A 35 7.826 2.238 0.177 1.00 0.00 N ATOM 554 CA ARG A 35 8.563 1.541 -0.897 1.00 0.00 C ATOM 555 C ARG A 35 10.070 1.676 -0.667 1.00 0.00 C ATOM 556 O ARG A 35 10.820 0.703 -0.772 1.00 0.00 O ATOM 557 CB ARG A 35 8.264 2.124 -2.299 1.00 0.00 C ATOM 558 CG ARG A 35 6.992 2.971 -2.294 1.00 0.00 C ATOM 559 CD ARG A 35 6.531 3.302 -3.719 1.00 0.00 C ATOM 560 NE ARG A 35 5.722 2.220 -4.251 1.00 0.00 N ATOM 561 CZ ARG A 35 6.268 1.221 -4.916 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.504 1.331 -6.189 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.576 0.139 -4.286 1.00 0.00 N ATOM 0 H ARG A 35 7.206 2.981 -0.146 1.00 0.00 H new ATOM 0 HA ARG A 35 8.238 0.501 -0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.106 2.733 -2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.158 1.311 -3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.200 2.437 -1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.171 3.895 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.956 4.228 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.397 3.466 -4.360 1.00 0.00 H new ATOM 0 HE ARG A 35 4.712 2.233 -4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.267 2.194 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.927 0.555 -6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.397 0.063 -3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.999 -0.641 -4.789 1.00 0.00 H new ATOM 577 N ASP A 36 10.489 2.906 -0.354 1.00 0.00 N ATOM 578 CA ASP A 36 11.893 3.222 -0.107 1.00 0.00 C ATOM 579 C ASP A 36 12.398 2.498 1.130 1.00 0.00 C ATOM 580 O ASP A 36 13.550 2.061 1.185 1.00 0.00 O ATOM 581 CB ASP A 36 12.048 4.727 0.087 1.00 0.00 C ATOM 582 CG ASP A 36 13.528 5.110 0.109 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.084 5.311 -0.958 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.083 5.192 1.193 1.00 0.00 O ATOM 0 H ASP A 36 9.863 3.707 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 36 12.480 2.895 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.540 5.258 -0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.573 5.031 1.020 1.00 0.00 H new ATOM 589 N ASP A 37 11.518 2.389 2.114 1.00 0.00 N ATOM 590 CA ASP A 37 11.847 1.728 3.369 1.00 0.00 C ATOM 591 C ASP A 37 10.618 1.035 3.935 1.00 0.00 C ATOM 592 O ASP A 37 9.808 1.644 4.639 1.00 0.00 O ATOM 593 CB ASP A 37 12.407 2.742 4.382 1.00 0.00 C ATOM 594 CG ASP A 37 13.113 2.025 5.544 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.631 0.983 5.972 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.122 2.538 5.998 1.00 0.00 O ATOM 0 H ASP A 37 10.566 2.752 2.067 1.00 0.00 H new ATOM 0 HA ASP A 37 12.613 0.977 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.108 3.411 3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.597 3.360 4.769 1.00 0.00 H new ATOM 601 N PRO A 38 10.466 -0.227 3.627 1.00 0.00 N ATOM 602 CA PRO A 38 9.314 -1.026 4.100 1.00 0.00 C ATOM 603 C PRO A 38 9.374 -1.330 5.590 1.00 0.00 C ATOM 604 O PRO A 38 8.341 -1.423 6.250 1.00 0.00 O ATOM 605 CB PRO A 38 9.367 -2.306 3.275 1.00 0.00 C ATOM 606 CG PRO A 38 10.533 -2.205 2.345 1.00 0.00 C ATOM 607 CD PRO A 38 11.380 -1.027 2.798 1.00 0.00 C ATOM 0 HA PRO A 38 8.380 -0.479 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.471 -3.175 3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.442 -2.437 2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.117 -3.125 2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.194 -2.061 1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.249 -1.356 3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.753 -0.454 1.949 1.00 0.00 H new ATOM 615 N SER A 39 10.583 -1.463 6.120 1.00 0.00 N ATOM 616 CA SER A 39 10.753 -1.725 7.542 1.00 0.00 C ATOM 617 C SER A 39 10.205 -0.534 8.322 1.00 0.00 C ATOM 618 O SER A 39 9.711 -0.668 9.443 1.00 0.00 O ATOM 619 CB SER A 39 12.234 -1.929 7.872 1.00 0.00 C ATOM 620 OG SER A 39 12.771 -2.936 7.024 1.00 0.00 O ATOM 0 H SER A 39 11.453 -1.394 5.592 1.00 0.00 H new ATOM 0 HA SER A 39 10.214 -2.632 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.780 -0.995 7.738 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.349 -2.218 8.917 1.00 0.00 H new ATOM 0 HG SER A 39 13.720 -3.067 7.232 1.00 0.00 H new ATOM 626 N GLN A 40 10.309 0.633 7.686 1.00 0.00 N ATOM 627 CA GLN A 40 9.844 1.888 8.258 1.00 0.00 C ATOM 628 C GLN A 40 8.341 2.089 8.008 1.00 0.00 C ATOM 629 O GLN A 40 7.776 3.089 8.413 1.00 0.00 O ATOM 630 CB GLN A 40 10.642 3.035 7.612 1.00 0.00 C ATOM 631 CG GLN A 40 10.508 4.336 8.418 1.00 0.00 C ATOM 632 CD GLN A 40 11.343 5.453 7.786 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.182 5.182 6.820 1.00 0.00 O flip ATOM 634 NE2 GLN A 40 11.230 6.610 8.190 1.00 0.00 N flip ATOM 0 H GLN A 40 10.720 0.730 6.757 1.00 0.00 H new ATOM 0 HA GLN A 40 9.999 1.873 9.337 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.693 2.755 7.543 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.288 3.198 6.594 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.461 4.637 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.833 4.169 9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.577 6.826 8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.789 7.353 7.772 1.00 0.00 H new ATOM 643 N SER A 41 7.698 1.145 7.329 1.00 0.00 N ATOM 644 CA SER A 41 6.270 1.266 7.004 1.00 0.00 C ATOM 645 C SER A 41 5.419 1.631 8.222 1.00 0.00 C ATOM 646 O SER A 41 4.476 2.417 8.113 1.00 0.00 O ATOM 647 CB SER A 41 5.773 -0.075 6.465 1.00 0.00 C ATOM 648 OG SER A 41 5.852 -1.059 7.490 1.00 0.00 O ATOM 0 H SER A 41 8.136 0.288 6.991 1.00 0.00 H new ATOM 0 HA SER A 41 6.170 2.064 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.745 0.020 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.373 -0.379 5.608 1.00 0.00 H new ATOM 0 HG SER A 41 6.712 -1.525 7.431 1.00 0.00 H new ATOM 654 N ALA A 42 5.770 1.074 9.372 1.00 0.00 N ATOM 655 CA ALA A 42 5.052 1.348 10.610 1.00 0.00 C ATOM 656 C ALA A 42 5.244 2.797 11.012 1.00 0.00 C ATOM 657 O ALA A 42 4.336 3.450 11.522 1.00 0.00 O ATOM 658 CB ALA A 42 5.625 0.476 11.713 1.00 0.00 C ATOM 0 H ALA A 42 6.551 0.426 9.474 1.00 0.00 H new ATOM 0 HA ALA A 42 3.992 1.142 10.459 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.095 0.673 12.645 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.509 -0.574 11.444 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.683 0.702 11.843 1.00 0.00 H new ATOM 664 N ASN A 43 6.457 3.264 10.778 1.00 0.00 N ATOM 665 CA ASN A 43 6.855 4.615 11.100 1.00 0.00 C ATOM 666 C ASN A 43 6.147 5.623 10.206 1.00 0.00 C ATOM 667 O ASN A 43 5.822 6.728 10.619 1.00 0.00 O ATOM 668 CB ASN A 43 8.359 4.715 10.896 1.00 0.00 C ATOM 669 CG ASN A 43 9.097 4.474 12.210 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.995 5.277 13.137 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.837 3.410 12.346 1.00 0.00 N ATOM 0 H ASN A 43 7.199 2.707 10.354 1.00 0.00 H new ATOM 0 HA ASN A 43 6.584 4.841 12.131 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.680 3.985 10.153 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.614 5.700 10.505 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.333 3.242 13.222 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.921 2.745 11.577 1.00 0.00 H new ATOM 678 N LEU A 44 5.937 5.210 8.977 1.00 0.00 N ATOM 679 CA LEU A 44 5.286 6.023 7.966 1.00 0.00 C ATOM 680 C LEU A 44 3.831 6.079 8.267 1.00 0.00 C ATOM 681 O LEU A 44 3.196 7.122 8.184 1.00 0.00 O ATOM 682 CB LEU A 44 5.584 5.378 6.625 1.00 0.00 C ATOM 683 CG LEU A 44 7.106 5.294 6.551 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.563 4.368 5.447 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.646 6.693 6.375 1.00 0.00 C ATOM 0 H LEU A 44 6.216 4.287 8.643 1.00 0.00 H new ATOM 0 HA LEU A 44 5.648 7.051 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.131 4.389 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.182 5.972 5.804 1.00 0.00 H new ATOM 0 HG LEU A 44 7.496 4.867 7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.652 4.335 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.173 3.366 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.193 4.734 4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.734 6.659 6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.249 7.123 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.345 7.308 7.223 1.00 0.00 H new ATOM 697 N LEU A 45 3.355 4.944 8.711 1.00 0.00 N ATOM 698 CA LEU A 45 1.988 4.814 9.157 1.00 0.00 C ATOM 699 C LEU A 45 1.826 5.701 10.383 1.00 0.00 C ATOM 700 O LEU A 45 0.812 6.370 10.567 1.00 0.00 O ATOM 701 CB LEU A 45 1.703 3.345 9.492 1.00 0.00 C ATOM 702 CG LEU A 45 0.435 3.214 10.345 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.764 3.824 9.608 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.184 1.732 10.624 1.00 0.00 C ATOM 0 H LEU A 45 3.901 4.085 8.774 1.00 0.00 H new ATOM 0 HA LEU A 45 1.282 5.122 8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.587 2.774 8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.552 2.919 10.027 1.00 0.00 H new ATOM 0 HG LEU A 45 0.566 3.749 11.285 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.658 3.725 10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.573 4.879 9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.914 3.302 8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.715 1.623 11.230 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.052 1.201 9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.036 1.313 11.160 1.00 0.00 H new ATOM 716 N ALA A 46 2.878 5.715 11.189 1.00 0.00 N ATOM 717 CA ALA A 46 2.925 6.527 12.393 1.00 0.00 C ATOM 718 C ALA A 46 2.897 7.990 12.020 1.00 0.00 C ATOM 719 O ALA A 46 2.148 8.787 12.587 1.00 0.00 O ATOM 720 CB ALA A 46 4.220 6.255 13.151 1.00 0.00 C ATOM 0 H ALA A 46 3.721 5.164 11.026 1.00 0.00 H new ATOM 0 HA ALA A 46 2.066 6.278 13.016 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.249 6.867 14.053 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.266 5.201 13.426 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.071 6.502 12.517 1.00 0.00 H new ATOM 726 N GLU A 47 3.717 8.308 11.033 1.00 0.00 N ATOM 727 CA GLU A 47 3.819 9.645 10.516 1.00 0.00 C ATOM 728 C GLU A 47 2.490 10.057 9.945 1.00 0.00 C ATOM 729 O GLU A 47 2.066 11.191 10.080 1.00 0.00 O ATOM 730 CB GLU A 47 4.837 9.648 9.389 1.00 0.00 C ATOM 731 CG GLU A 47 6.270 9.731 9.906 1.00 0.00 C ATOM 732 CD GLU A 47 6.553 11.069 10.609 1.00 0.00 C ATOM 733 OE1 GLU A 47 5.833 12.029 10.369 1.00 0.00 O ATOM 734 OE2 GLU A 47 7.503 11.113 11.373 1.00 0.00 O ATOM 0 H GLU A 47 4.330 7.636 10.571 1.00 0.00 H new ATOM 0 HA GLU A 47 4.116 10.328 11.312 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.719 8.743 8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.642 10.492 8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.453 8.911 10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.963 9.605 9.074 1.00 0.00 H new ATOM 741 N ALA A 48 1.849 9.103 9.299 1.00 0.00 N ATOM 742 CA ALA A 48 0.575 9.330 8.688 1.00 0.00 C ATOM 743 C ALA A 48 -0.463 9.601 9.748 1.00 0.00 C ATOM 744 O ALA A 48 -1.201 10.572 9.656 1.00 0.00 O ATOM 745 CB ALA A 48 0.212 8.100 7.888 1.00 0.00 C ATOM 0 H ALA A 48 2.205 8.153 9.189 1.00 0.00 H new ATOM 0 HA ALA A 48 0.617 10.198 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.757 8.249 7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.969 7.927 7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.162 7.236 8.551 1.00 0.00 H new ATOM 751 N LYS A 49 -0.485 8.758 10.776 1.00 0.00 N ATOM 752 CA LYS A 49 -1.413 8.955 11.873 1.00 0.00 C ATOM 753 C LYS A 49 -1.139 10.308 12.502 1.00 0.00 C ATOM 754 O LYS A 49 -2.052 10.967 12.992 1.00 0.00 O ATOM 755 CB LYS A 49 -1.265 7.848 12.924 1.00 0.00 C ATOM 756 CG LYS A 49 -1.838 6.531 12.386 1.00 0.00 C ATOM 757 CD LYS A 49 -1.763 5.454 13.476 1.00 0.00 C ATOM 758 CE LYS A 49 -2.249 4.114 12.914 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.470 3.156 14.035 1.00 0.00 N ATOM 0 H LYS A 49 0.122 7.944 10.868 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.433 8.917 11.491 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.214 7.718 13.181 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.784 8.133 13.839 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.872 6.674 12.072 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.279 6.212 11.506 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.739 5.358 13.836 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.375 5.744 14.330 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.174 4.256 12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.514 3.712 12.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.800 2.246 13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.578 3.013 14.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.187 3.540 14.684 1.00 0.00 H new ATOM 773 N LYS A 50 0.134 10.722 12.463 1.00 0.00 N ATOM 774 CA LYS A 50 0.525 11.996 13.008 1.00 0.00 C ATOM 775 C LYS A 50 0.084 13.123 12.095 1.00 0.00 C ATOM 776 O LYS A 50 -0.396 14.160 12.555 1.00 0.00 O ATOM 777 CB LYS A 50 2.039 12.011 13.215 1.00 0.00 C ATOM 778 CG LYS A 50 2.454 13.264 13.993 1.00 0.00 C ATOM 779 CD LYS A 50 3.892 13.092 14.487 1.00 0.00 C ATOM 780 CE LYS A 50 4.868 13.111 13.304 1.00 0.00 C ATOM 781 NZ LYS A 50 5.708 11.881 13.342 1.00 0.00 N ATOM 0 H LYS A 50 0.898 10.182 12.057 1.00 0.00 H new ATOM 0 HA LYS A 50 0.037 12.146 13.971 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.348 11.118 13.758 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.546 11.989 12.250 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.378 14.145 13.356 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.783 13.422 14.837 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.141 13.891 15.186 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.987 12.152 15.030 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.318 13.161 12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.499 13.998 13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.607 12.059 12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.899 11.622 14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.205 11.102 12.871 1.00 0.00 H new ATOM 795 N LEU A 51 0.246 12.900 10.798 1.00 0.00 N ATOM 796 CA LEU A 51 -0.142 13.885 9.808 1.00 0.00 C ATOM 797 C LEU A 51 -1.654 13.989 9.767 1.00 0.00 C ATOM 798 O LEU A 51 -2.219 15.080 9.717 1.00 0.00 O ATOM 799 CB LEU A 51 0.400 13.503 8.421 1.00 0.00 C ATOM 800 CG LEU A 51 1.736 14.212 8.133 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.595 15.727 8.331 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.838 13.662 9.053 1.00 0.00 C ATOM 0 H LEU A 51 0.644 12.044 10.411 1.00 0.00 H new ATOM 0 HA LEU A 51 0.282 14.851 10.085 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.539 12.423 8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.329 13.770 7.656 1.00 0.00 H new ATOM 0 HG LEU A 51 2.011 14.020 7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.549 16.211 8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.836 16.114 7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.300 15.934 9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.778 14.171 8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.561 13.832 10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.957 12.593 8.879 1.00 0.00 H new ATOM 814 N ASN A 52 -2.291 12.828 9.812 1.00 0.00 N ATOM 815 CA ASN A 52 -3.731 12.739 9.811 1.00 0.00 C ATOM 816 C ASN A 52 -4.270 13.388 11.061 1.00 0.00 C ATOM 817 O ASN A 52 -5.204 14.176 11.003 1.00 0.00 O ATOM 818 CB ASN A 52 -4.130 11.269 9.772 1.00 0.00 C ATOM 819 CG ASN A 52 -5.611 11.085 10.037 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.402 11.122 9.112 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.032 10.872 11.251 1.00 0.00 N ATOM 0 H ASN A 52 -1.818 11.925 9.850 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.141 13.251 8.940 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.879 10.849 8.798 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.555 10.716 10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.027 10.736 11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.367 10.842 12.024 1.00 0.00 H new ATOM 828 N ASP A 53 -3.651 13.057 12.192 1.00 0.00 N ATOM 829 CA ASP A 53 -4.071 13.632 13.458 1.00 0.00 C ATOM 830 C ASP A 53 -3.874 15.142 13.429 1.00 0.00 C ATOM 831 O ASP A 53 -4.723 15.901 13.897 1.00 0.00 O ATOM 832 CB ASP A 53 -3.299 13.023 14.629 1.00 0.00 C ATOM 833 CG ASP A 53 -3.790 13.626 15.946 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.800 13.163 16.447 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.155 14.551 16.426 1.00 0.00 O ATOM 0 H ASP A 53 -2.870 12.404 12.254 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.128 13.406 13.601 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.434 11.941 14.642 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.232 13.210 14.509 1.00 0.00 H new ATOM 840 N ALA A 54 -2.750 15.564 12.850 1.00 0.00 N ATOM 841 CA ALA A 54 -2.443 16.977 12.726 1.00 0.00 C ATOM 842 C ALA A 54 -3.495 17.645 11.848 1.00 0.00 C ATOM 843 O ALA A 54 -3.924 18.768 12.116 1.00 0.00 O ATOM 844 CB ALA A 54 -1.053 17.151 12.110 1.00 0.00 C ATOM 0 H ALA A 54 -2.041 14.942 12.461 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.450 17.442 13.712 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.826 18.213 12.018 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.310 16.675 12.749 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.032 16.689 11.123 1.00 0.00 H new ATOM 850 N GLN A 55 -3.918 16.921 10.807 1.00 0.00 N ATOM 851 CA GLN A 55 -4.938 17.413 9.888 1.00 0.00 C ATOM 852 C GLN A 55 -6.342 17.092 10.412 1.00 0.00 C ATOM 853 O GLN A 55 -7.343 17.495 9.815 1.00 0.00 O ATOM 854 CB GLN A 55 -4.722 16.764 8.520 1.00 0.00 C ATOM 855 CG GLN A 55 -3.476 17.366 7.860 1.00 0.00 C ATOM 856 CD GLN A 55 -3.075 16.529 6.656 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.661 15.311 6.844 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.141 16.991 5.517 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.566 15.990 10.583 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.854 18.496 9.801 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.603 15.686 8.632 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.595 16.924 7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.677 18.392 7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.656 17.404 8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.466 17.947 5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.871 16.418 4.718 1.00 0.00 H new ATOM 867 N ALA A 56 -6.399 16.368 11.533 1.00 0.00 N ATOM 868 CA ALA A 56 -7.672 15.991 12.148 1.00 0.00 C ATOM 869 C ALA A 56 -8.102 17.038 13.164 1.00 0.00 C ATOM 870 O ALA A 56 -7.303 17.885 13.571 1.00 0.00 O ATOM 871 CB ALA A 56 -7.550 14.626 12.841 1.00 0.00 C ATOM 0 H ALA A 56 -5.576 16.031 12.033 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.423 15.927 11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.506 14.361 13.293 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.273 13.869 12.107 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.784 14.678 13.615 1.00 0.00 H new ATOM 981 N PHE B 5 -10.260 -11.712 2.390 1.00 0.00 N ATOM 982 CA PHE B 5 -9.158 -11.120 1.660 1.00 0.00 C ATOM 983 C PHE B 5 -8.553 -9.949 2.407 1.00 0.00 C ATOM 984 O PHE B 5 -7.579 -9.386 1.951 1.00 0.00 O ATOM 985 CB PHE B 5 -9.628 -10.677 0.273 1.00 0.00 C ATOM 986 CG PHE B 5 -9.742 -11.906 -0.584 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.779 -12.810 -0.350 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.800 -12.155 -1.587 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.874 -13.974 -1.118 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.896 -13.314 -2.360 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.931 -14.224 -2.123 1.00 0.00 C ATOM 0 HA PHE B 5 -8.382 -11.878 1.555 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.589 -10.167 0.340 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.921 -9.971 -0.163 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.507 -12.611 0.423 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.999 -11.452 -1.764 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.672 -14.679 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -8.173 -13.507 -3.139 1.00 0.00 H new ATOM 0 HZ PHE B 5 -10.003 -15.123 -2.717 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.101 -9.593 3.568 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.520 -8.496 4.341 1.00 0.00 C ATOM 1003 C ASN B 6 -7.063 -8.846 4.622 1.00 0.00 C ATOM 1004 O ASN B 6 -6.176 -8.009 4.488 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.295 -8.296 5.652 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.021 -6.907 6.227 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -7.888 -6.311 5.975 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.867 -6.349 6.925 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.922 -10.033 3.985 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.579 -7.562 3.781 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.363 -8.418 5.472 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.004 -9.059 6.374 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -10.753 -6.814 7.122 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.682 -5.421 7.306 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.839 -10.117 4.948 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.497 -10.637 5.187 1.00 0.00 C ATOM 1017 C LYS B 7 -4.716 -10.682 3.870 1.00 0.00 C ATOM 1018 O LYS B 7 -3.556 -10.273 3.802 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.615 -12.058 5.765 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.229 -12.705 5.910 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.388 -14.175 6.320 1.00 0.00 C ATOM 1022 CE LYS B 7 -3.028 -14.879 6.262 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.594 -15.008 4.839 1.00 0.00 N ATOM 0 H LYS B 7 -7.579 -10.811 5.053 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.970 -9.991 5.889 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.107 -12.020 6.737 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.240 -12.669 5.114 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.684 -12.636 4.968 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.643 -12.170 6.657 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.798 -14.239 7.328 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.094 -14.673 5.656 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.289 -14.313 6.829 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.097 -15.864 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.231 -15.968 4.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.404 -14.830 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.844 -14.316 4.641 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.380 -11.215 2.845 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.791 -11.377 1.514 1.00 0.00 C ATOM 1039 C GLU B 8 -4.482 -10.036 0.844 1.00 0.00 C ATOM 1040 O GLU B 8 -3.497 -9.906 0.112 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.785 -12.151 0.623 1.00 0.00 C ATOM 1042 CG GLU B 8 -6.135 -13.516 1.245 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.868 -14.280 1.642 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -4.073 -14.573 0.764 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.717 -14.563 2.821 1.00 0.00 O ATOM 0 H GLU B 8 -6.342 -11.547 2.913 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.851 -11.917 1.632 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.694 -11.564 0.490 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.353 -12.298 -0.367 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.765 -13.369 2.122 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.712 -14.107 0.533 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.355 -9.062 1.069 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.233 -7.748 0.469 1.00 0.00 C ATOM 1054 C ARG B 9 -3.972 -7.021 0.925 1.00 0.00 C ATOM 1055 O ARG B 9 -3.273 -6.435 0.103 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.465 -6.914 0.831 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.397 -5.555 0.131 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.687 -4.778 0.397 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.810 -4.501 1.825 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.982 -4.557 2.449 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.077 -4.206 1.831 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.036 -4.964 3.681 1.00 0.00 N ATOM 0 H ARG B 9 -6.169 -9.166 1.675 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.162 -7.879 -0.611 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.372 -7.441 0.534 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.516 -6.775 1.911 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.538 -4.990 0.494 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.258 -5.693 -0.941 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.683 -3.844 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.547 -5.353 0.053 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.975 -4.258 2.358 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -10.036 -3.886 0.863 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.973 -4.251 2.316 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.181 -5.239 4.165 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.933 -5.009 4.164 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.683 -7.047 2.234 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.498 -6.351 2.737 1.00 0.00 C ATOM 1078 C VAL B 10 -1.242 -6.918 2.088 1.00 0.00 C ATOM 1079 O VAL B 10 -0.322 -6.173 1.778 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.404 -6.308 4.296 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.744 -6.663 4.970 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.307 -7.228 4.826 1.00 0.00 C ATOM 0 H VAL B 10 -4.237 -7.528 2.943 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.594 -5.305 2.446 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.152 -5.279 4.551 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.629 -6.620 6.053 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.508 -5.951 4.657 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -4.043 -7.669 4.677 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.276 -7.168 5.914 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.516 -8.255 4.525 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.345 -6.919 4.418 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.208 -8.230 1.858 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.044 -8.833 1.215 1.00 0.00 C ATOM 1094 C ILE B 11 0.125 -8.241 -0.184 1.00 0.00 C ATOM 1095 O ILE B 11 1.242 -7.938 -0.603 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.185 -10.358 1.120 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.505 -10.936 2.515 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.139 -10.946 0.604 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.167 -12.307 2.710 1.00 0.00 C ATOM 0 H ILE B 11 -1.954 -8.882 2.101 1.00 0.00 H new ATOM 0 HA ILE B 11 0.835 -8.614 1.821 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.994 -10.615 0.436 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.162 -10.246 3.286 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.584 -11.036 2.633 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.052 -12.030 0.532 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.361 -10.534 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.943 -10.692 1.294 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.074 -12.693 3.701 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.196 -13.001 1.952 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.248 -12.199 2.616 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.999 -8.054 -0.888 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.977 -7.474 -2.222 1.00 0.00 C ATOM 1113 C ALA B 12 -0.520 -6.050 -2.149 1.00 0.00 C ATOM 1114 O ALA B 12 0.337 -5.659 -2.921 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.368 -7.533 -2.843 1.00 0.00 C ATOM 0 H ALA B 12 -1.930 -8.298 -0.550 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.286 -8.045 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.340 -7.096 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.693 -8.571 -2.910 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.068 -6.974 -2.222 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.061 -5.297 -1.191 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.658 -3.910 -1.018 1.00 0.00 C ATOM 1123 C ILE B 13 0.837 -3.908 -0.801 1.00 0.00 C ATOM 1124 O ILE B 13 1.565 -3.205 -1.476 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.398 -3.296 0.191 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.891 -3.340 -0.077 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.012 -1.831 0.392 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.685 -3.045 1.183 1.00 0.00 C ATOM 0 H ILE B 13 -1.770 -5.622 -0.533 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.911 -3.310 -1.892 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.127 -3.867 1.079 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.146 -2.614 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.165 -4.323 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.549 -1.428 1.250 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.061 -1.758 0.569 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.272 -1.261 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.751 -3.084 0.959 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.447 -3.787 1.945 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.428 -2.052 1.551 1.00 0.00 H new ATOM 1140 N GLY B 14 1.283 -4.770 0.096 1.00 0.00 N ATOM 1141 CA GLY B 14 2.700 -4.918 0.377 1.00 0.00 C ATOM 1142 C GLY B 14 3.465 -5.266 -0.882 1.00 0.00 C ATOM 1143 O GLY B 14 4.549 -4.748 -1.120 1.00 0.00 O ATOM 0 H GLY B 14 0.680 -5.382 0.645 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.090 -3.992 0.800 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.847 -5.697 1.125 1.00 0.00 H new ATOM 1147 N GLU B 15 2.887 -6.146 -1.689 1.00 0.00 N ATOM 1148 CA GLU B 15 3.524 -6.564 -2.914 1.00 0.00 C ATOM 1149 C GLU B 15 3.635 -5.380 -3.848 1.00 0.00 C ATOM 1150 O GLU B 15 4.681 -5.178 -4.454 1.00 0.00 O ATOM 1151 CB GLU B 15 2.730 -7.702 -3.540 1.00 0.00 C ATOM 1152 CG GLU B 15 3.614 -8.507 -4.518 1.00 0.00 C ATOM 1153 CD GLU B 15 4.843 -9.088 -3.804 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.711 -9.510 -2.662 1.00 0.00 O ATOM 1155 OE2 GLU B 15 5.897 -9.117 -4.417 1.00 0.00 O ATOM 0 H GLU B 15 1.981 -6.579 -1.511 1.00 0.00 H new ATOM 0 HA GLU B 15 4.530 -6.932 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.350 -8.360 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.865 -7.302 -4.068 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.030 -9.315 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU B 15 3.936 -7.863 -5.336 1.00 0.00 H new ATOM 1162 N ILE B 16 2.572 -4.566 -3.937 1.00 0.00 N ATOM 1163 CA ILE B 16 2.663 -3.374 -4.808 1.00 0.00 C ATOM 1164 C ILE B 16 3.832 -2.519 -4.315 1.00 0.00 C ATOM 1165 O ILE B 16 4.708 -2.108 -5.079 1.00 0.00 O ATOM 1166 CB ILE B 16 1.427 -2.429 -4.744 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.087 -3.166 -4.688 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.430 -1.510 -5.972 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.164 -3.912 -5.984 1.00 0.00 C ATOM 0 H ILE B 16 1.685 -4.694 -3.449 1.00 0.00 H new ATOM 0 HA ILE B 16 2.760 -3.758 -5.824 1.00 0.00 H new ATOM 0 HB ILE B 16 1.519 -1.865 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.085 -3.866 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.719 -2.454 -4.509 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.566 -0.846 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.344 -0.916 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.382 -2.114 -6.878 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.121 -4.430 -5.926 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.184 -3.205 -6.813 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.632 -4.638 -6.146 1.00 0.00 H new ATOM 1181 N MET B 17 3.795 -2.267 -3.011 1.00 0.00 N ATOM 1182 CA MET B 17 4.792 -1.464 -2.313 1.00 0.00 C ATOM 1183 C MET B 17 6.194 -2.088 -2.422 1.00 0.00 C ATOM 1184 O MET B 17 7.198 -1.377 -2.354 1.00 0.00 O ATOM 1185 CB MET B 17 4.355 -1.311 -0.861 1.00 0.00 C ATOM 1186 CG MET B 17 2.930 -0.736 -0.816 1.00 0.00 C ATOM 1187 SD MET B 17 2.940 0.959 -1.397 1.00 0.00 S ATOM 1188 CE MET B 17 3.927 1.609 -0.052 1.00 0.00 C ATOM 0 H MET B 17 3.059 -2.621 -2.400 1.00 0.00 H new ATOM 0 HA MET B 17 4.860 -0.480 -2.777 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.386 -2.277 -0.357 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.042 -0.652 -0.330 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.265 -1.338 -1.435 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.543 -0.779 0.202 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.389 2.423 0.434 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.121 0.818 0.672 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.873 1.983 -0.443 1.00 0.00 H new ATOM 1198 N ARG B 18 6.259 -3.412 -2.612 1.00 0.00 N ATOM 1199 CA ARG B 18 7.548 -4.095 -2.766 1.00 0.00 C ATOM 1200 C ARG B 18 8.172 -3.748 -4.113 1.00 0.00 C ATOM 1201 O ARG B 18 9.386 -3.571 -4.217 1.00 0.00 O ATOM 1202 CB ARG B 18 7.372 -5.608 -2.701 1.00 0.00 C ATOM 1203 CG ARG B 18 7.156 -6.076 -1.260 1.00 0.00 C ATOM 1204 CD ARG B 18 8.476 -6.542 -0.632 1.00 0.00 C ATOM 1205 NE ARG B 18 8.263 -7.770 0.131 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.187 -8.955 -0.468 1.00 0.00 C ATOM 1207 NH1 ARG B 18 7.063 -9.351 -0.992 1.00 0.00 N ATOM 1208 NH2 ARG B 18 9.240 -9.719 -0.532 1.00 0.00 N ATOM 0 H ARG B 18 5.445 -4.024 -2.662 1.00 0.00 H new ATOM 0 HA ARG B 18 8.194 -3.764 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.521 -5.905 -3.314 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.252 -6.098 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.734 -5.263 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.433 -6.891 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.218 -6.713 -1.412 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.872 -5.764 0.020 1.00 0.00 H new ATOM 0 HE ARG B 18 8.171 -7.717 1.145 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.239 -8.752 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.007 -10.260 -1.451 1.00 0.00 H new ATOM 0 HH21 ARG B 18 10.121 -9.408 -0.123 1.00 0.00 H new ATOM 0 HH22 ARG B 18 9.183 -10.628 -0.991 1.00 0.00 H new ATOM 1222 N LEU B 19 7.319 -3.680 -5.141 1.00 0.00 N ATOM 1223 CA LEU B 19 7.765 -3.385 -6.502 1.00 0.00 C ATOM 1224 C LEU B 19 8.459 -2.032 -6.583 1.00 0.00 C ATOM 1225 O LEU B 19 7.813 -0.992 -6.461 1.00 0.00 O ATOM 1226 CB LEU B 19 6.574 -3.383 -7.468 1.00 0.00 C ATOM 1227 CG LEU B 19 5.811 -4.712 -7.429 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.503 -4.575 -8.204 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.637 -5.812 -8.067 1.00 0.00 C ATOM 0 H LEU B 19 6.313 -3.826 -5.053 1.00 0.00 H new ATOM 0 HA LEU B 19 8.474 -4.164 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.898 -2.567 -7.211 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.928 -3.196 -8.482 1.00 0.00 H new ATOM 0 HG LEU B 19 5.608 -4.964 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.962 -5.521 -8.175 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.892 -3.794 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.719 -4.312 -9.240 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.083 -6.750 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.848 -5.553 -9.105 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.575 -5.925 -7.523 1.00 0.00 H new ATOM 1241 N PRO B 20 9.755 -2.022 -6.805 1.00 0.00 N ATOM 1242 CA PRO B 20 10.540 -0.768 -6.923 1.00 0.00 C ATOM 1243 C PRO B 20 10.411 -0.127 -8.308 1.00 0.00 C ATOM 1244 O PRO B 20 10.958 0.951 -8.546 1.00 0.00 O ATOM 1245 CB PRO B 20 11.989 -1.218 -6.666 1.00 0.00 C ATOM 1246 CG PRO B 20 11.955 -2.690 -6.416 1.00 0.00 C ATOM 1247 CD PRO B 20 10.635 -3.190 -6.968 1.00 0.00 C ATOM 0 HA PRO B 20 10.192 -0.006 -6.226 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.621 -0.988 -7.523 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.409 -0.692 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.793 -3.186 -6.906 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.036 -2.904 -5.350 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.720 -3.491 -8.012 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.267 -4.055 -6.416 1.00 0.00 H new ATOM 1255 N ASN B 21 9.699 -0.800 -9.222 1.00 0.00 N ATOM 1256 CA ASN B 21 9.528 -0.289 -10.577 1.00 0.00 C ATOM 1257 C ASN B 21 8.229 0.503 -10.701 1.00 0.00 C ATOM 1258 O ASN B 21 8.095 1.344 -11.592 1.00 0.00 O ATOM 1259 CB ASN B 21 9.531 -1.456 -11.566 1.00 0.00 C ATOM 1260 CG ASN B 21 10.851 -2.222 -11.501 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.878 -1.676 -11.099 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.883 -3.468 -11.878 1.00 0.00 N ATOM 0 H ASN B 21 9.238 -1.692 -9.044 1.00 0.00 H new ATOM 0 HA ASN B 21 10.355 0.383 -10.805 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.704 -2.130 -11.342 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.373 -1.081 -12.577 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.758 -3.990 -11.840 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.033 -3.922 -12.211 1.00 0.00 H new ATOM 1269 N LEU B 22 7.272 0.233 -9.805 1.00 0.00 N ATOM 1270 CA LEU B 22 5.990 0.935 -9.837 1.00 0.00 C ATOM 1271 C LEU B 22 6.117 2.367 -9.347 1.00 0.00 C ATOM 1272 O LEU B 22 6.928 2.677 -8.473 1.00 0.00 O ATOM 1273 CB LEU B 22 4.938 0.238 -8.957 1.00 0.00 C ATOM 1274 CG LEU B 22 4.626 -1.174 -9.444 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.352 -1.682 -8.764 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.403 -1.141 -10.936 1.00 0.00 C ATOM 0 H LEU B 22 7.361 -0.457 -9.060 1.00 0.00 H new ATOM 0 HA LEU B 22 5.675 0.924 -10.880 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.297 0.195 -7.929 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.022 0.829 -8.950 1.00 0.00 H new ATOM 0 HG LEU B 22 5.459 -1.835 -9.202 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.131 -2.691 -9.113 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.497 -1.695 -7.684 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.520 -1.022 -9.010 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.179 -2.146 -11.293 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.567 -0.480 -11.164 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.302 -0.772 -11.430 1.00 0.00 H new ATOM 1288 N ASN B 23 5.255 3.216 -9.893 1.00 0.00 N ATOM 1289 CA ASN B 23 5.191 4.612 -9.501 1.00 0.00 C ATOM 1290 C ASN B 23 4.376 4.678 -8.208 1.00 0.00 C ATOM 1291 O ASN B 23 3.549 3.803 -7.960 1.00 0.00 O ATOM 1292 CB ASN B 23 4.536 5.394 -10.677 1.00 0.00 C ATOM 1293 CG ASN B 23 3.511 6.441 -10.249 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.691 7.138 -9.269 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.436 6.601 -10.967 1.00 0.00 N ATOM 0 H ASN B 23 4.585 2.955 -10.616 1.00 0.00 H new ATOM 0 HA ASN B 23 6.166 5.059 -9.308 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.321 5.886 -11.251 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.052 4.682 -11.345 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.749 7.309 -10.706 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.281 6.019 -11.790 1.00 0.00 H new ATOM 1302 N SER B 24 4.597 5.707 -7.390 1.00 0.00 N ATOM 1303 CA SER B 24 3.855 5.836 -6.133 1.00 0.00 C ATOM 1304 C SER B 24 2.368 5.935 -6.438 1.00 0.00 C ATOM 1305 O SER B 24 1.542 5.279 -5.803 1.00 0.00 O ATOM 1306 CB SER B 24 4.315 7.075 -5.358 1.00 0.00 C ATOM 1307 OG SER B 24 5.370 7.719 -6.062 1.00 0.00 O ATOM 0 H SER B 24 5.271 6.452 -7.569 1.00 0.00 H new ATOM 0 HA SER B 24 4.046 4.958 -5.516 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.480 7.763 -5.226 1.00 0.00 H new ATOM 0 HB3 SER B 24 4.652 6.788 -4.362 1.00 0.00 H new ATOM 0 HG SER B 24 6.210 7.604 -5.570 1.00 0.00 H new ATOM 1313 N LEU B 25 2.055 6.732 -7.450 1.00 0.00 N ATOM 1314 CA LEU B 25 0.689 6.903 -7.901 1.00 0.00 C ATOM 1315 C LEU B 25 0.195 5.621 -8.557 1.00 0.00 C ATOM 1316 O LEU B 25 -0.970 5.253 -8.407 1.00 0.00 O ATOM 1317 CB LEU B 25 0.592 8.081 -8.883 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.067 9.267 -8.204 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.156 10.449 -9.180 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.460 8.847 -7.754 1.00 0.00 C ATOM 0 H LEU B 25 2.740 7.274 -7.977 1.00 0.00 H new ATOM 0 HA LEU B 25 0.058 7.123 -7.040 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.587 8.357 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.016 7.787 -9.761 1.00 0.00 H new ATOM 0 HG LEU B 25 0.522 9.582 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.630 11.296 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.846 10.732 -9.501 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.747 10.160 -10.049 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.952 9.686 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.045 8.540 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.381 8.013 -7.056 1.00 0.00 H new ATOM 1332 N GLN B 26 1.099 4.919 -9.255 1.00 0.00 N ATOM 1333 CA GLN B 26 0.729 3.646 -9.888 1.00 0.00 C ATOM 1334 C GLN B 26 0.367 2.653 -8.801 1.00 0.00 C ATOM 1335 O GLN B 26 -0.569 1.869 -8.924 1.00 0.00 O ATOM 1336 CB GLN B 26 1.904 3.057 -10.670 1.00 0.00 C ATOM 1337 CG GLN B 26 1.786 3.341 -12.174 1.00 0.00 C ATOM 1338 CD GLN B 26 3.004 2.771 -12.890 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.862 2.047 -12.223 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.174 2.978 -14.090 1.00 0.00 N flip ATOM 0 H GLN B 26 2.069 5.202 -9.394 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.104 3.831 -10.566 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.838 3.475 -10.293 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.947 1.980 -10.505 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.874 2.894 -12.570 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.716 4.415 -12.349 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.503 3.544 -14.610 1.00 0.00 H new ATOM 0 HE22 GLN B 26 3.986 2.584 -14.565 1.00 0.00 H new ATOM 1349 N VAL B 27 1.141 2.722 -7.731 1.00 0.00 N ATOM 1350 CA VAL B 27 0.958 1.864 -6.582 1.00 0.00 C ATOM 1351 C VAL B 27 -0.378 2.165 -5.947 1.00 0.00 C ATOM 1352 O VAL B 27 -1.156 1.258 -5.665 1.00 0.00 O ATOM 1353 CB VAL B 27 2.148 2.064 -5.637 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.872 1.483 -4.249 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.355 1.357 -6.266 1.00 0.00 C ATOM 0 H VAL B 27 1.916 3.379 -7.639 1.00 0.00 H new ATOM 0 HA VAL B 27 0.937 0.810 -6.859 1.00 0.00 H new ATOM 0 HB VAL B 27 2.334 3.130 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.739 1.644 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL B 27 1.002 1.976 -3.814 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.678 0.414 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.225 1.478 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.135 0.296 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.565 1.794 -7.242 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.669 3.448 -5.806 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.942 3.878 -5.290 1.00 0.00 C ATOM 1367 C VAL B 28 -3.040 3.363 -6.228 1.00 0.00 C ATOM 1368 O VAL B 28 -4.133 3.033 -5.789 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.986 5.409 -5.193 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.360 5.832 -4.675 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.889 5.907 -4.230 1.00 0.00 C ATOM 0 H VAL B 28 -0.032 4.207 -6.045 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.096 3.477 -4.288 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.812 5.844 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.403 6.919 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.131 5.484 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.528 5.395 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.927 6.994 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.052 5.480 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.088 5.599 -4.601 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.719 3.294 -7.528 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.660 2.812 -8.533 1.00 0.00 C ATOM 1383 C ALA B 29 -4.069 1.384 -8.210 1.00 0.00 C ATOM 1384 O ALA B 29 -5.253 1.040 -8.250 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.999 2.852 -9.920 1.00 0.00 C ATOM 0 H ALA B 29 -1.811 3.568 -7.903 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.543 3.451 -8.532 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.704 2.491 -10.669 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.711 3.876 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.113 2.217 -9.919 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.076 0.562 -7.869 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.318 -0.805 -7.525 1.00 0.00 C ATOM 1393 C PHE B 30 -3.990 -0.886 -6.160 1.00 0.00 C ATOM 1394 O PHE B 30 -4.969 -1.605 -6.003 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.981 -1.558 -7.559 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.443 -1.545 -8.987 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.187 -2.106 -10.050 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.210 -0.924 -9.265 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.697 -2.036 -11.352 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.267 -0.870 -10.569 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.475 -1.421 -11.613 1.00 0.00 C ATOM 0 H PHE B 30 -2.095 0.839 -7.829 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.995 -1.271 -8.241 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.267 -1.089 -6.883 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.117 -2.584 -7.217 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.133 -2.588 -9.853 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.367 -0.488 -8.462 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.268 -2.461 -12.164 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.217 -0.399 -10.775 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.102 -1.371 -12.625 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.496 -0.105 -5.189 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.093 -0.096 -3.849 1.00 0.00 C ATOM 1413 C ILE B 31 -5.570 0.293 -3.948 1.00 0.00 C ATOM 1414 O ILE B 31 -6.438 -0.359 -3.369 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.337 0.890 -2.937 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.871 0.441 -2.776 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.995 0.924 -1.553 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.042 1.577 -2.160 1.00 0.00 C ATOM 0 H ILE B 31 -2.697 0.519 -5.304 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.017 -1.093 -3.415 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.371 1.881 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.820 -0.444 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.458 0.162 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.457 1.622 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.032 1.246 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.964 -0.072 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.007 1.253 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.081 2.450 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.448 1.835 -1.182 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.838 1.339 -4.721 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.211 1.808 -4.940 1.00 0.00 C ATOM 1432 C ASN B 32 -8.078 0.711 -5.564 1.00 0.00 C ATOM 1433 O ASN B 32 -9.287 0.666 -5.329 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.230 3.022 -5.888 1.00 0.00 C ATOM 1435 CG ASN B 32 -7.091 4.331 -5.119 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -6.197 5.202 -5.492 1.00 0.00 O flip ATOM 1437 ND2 ASN B 32 -7.825 4.575 -4.162 1.00 0.00 N flip ATOM 0 H ASN B 32 -5.126 1.882 -5.209 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.610 2.085 -3.964 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.418 2.934 -6.610 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.161 3.028 -6.455 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -8.525 3.893 -3.870 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.733 5.459 -3.661 1.00 0.00 H new ATOM 1444 N SER B 33 -7.461 -0.167 -6.366 1.00 0.00 N ATOM 1445 CA SER B 33 -8.192 -1.233 -7.011 1.00 0.00 C ATOM 1446 C SER B 33 -8.465 -2.348 -6.017 1.00 0.00 C ATOM 1447 O SER B 33 -9.483 -3.027 -6.118 1.00 0.00 O ATOM 1448 CB SER B 33 -7.448 -1.705 -8.249 1.00 0.00 C ATOM 1449 OG SER B 33 -7.801 -0.877 -9.349 1.00 0.00 O ATOM 0 H SER B 33 -6.463 -0.149 -6.574 1.00 0.00 H new ATOM 0 HA SER B 33 -9.161 -0.868 -7.351 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.372 -1.665 -8.079 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.698 -2.744 -8.465 1.00 0.00 H new ATOM 0 HG SER B 33 -7.322 -1.176 -10.150 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.584 -2.503 -5.013 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.825 -3.505 -3.975 1.00 0.00 C ATOM 1457 C LEU B 34 -9.107 -3.077 -3.282 1.00 0.00 C ATOM 1458 O LEU B 34 -10.014 -3.874 -3.043 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.692 -3.542 -2.942 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.317 -3.556 -3.621 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.233 -3.694 -2.581 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.205 -4.721 -4.568 1.00 0.00 C ATOM 0 H LEU B 34 -6.726 -1.963 -4.904 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.888 -4.499 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.767 -2.675 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.799 -4.427 -2.314 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.204 -2.621 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.259 -3.703 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.284 -2.853 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.372 -4.625 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.222 -4.713 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.335 -5.652 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.976 -4.642 -5.334 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.169 -1.767 -3.028 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.350 -1.136 -2.431 1.00 0.00 C ATOM 1476 C ARG B 35 -11.572 -1.434 -3.301 1.00 0.00 C ATOM 1477 O ARG B 35 -12.630 -1.820 -2.801 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.134 0.393 -2.398 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.126 0.938 -0.961 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.826 1.711 -0.703 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.519 1.724 0.722 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.320 2.325 1.595 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -9.205 3.604 1.813 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.218 1.632 2.235 1.00 0.00 N ATOM 0 H ARG B 35 -8.408 -1.118 -3.228 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.505 -1.521 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.190 0.637 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.923 0.884 -2.968 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.985 1.591 -0.806 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.218 0.116 -0.251 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.006 1.251 -1.254 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.923 2.733 -1.070 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.673 1.263 1.055 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.499 4.145 1.313 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.821 4.064 2.483 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -10.305 0.630 2.066 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -10.834 2.091 2.906 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.392 -1.254 -4.612 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.451 -1.501 -5.589 1.00 0.00 C ATOM 1500 C ASP B 36 -12.844 -2.979 -5.614 1.00 0.00 C ATOM 1501 O ASP B 36 -14.020 -3.316 -5.764 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.963 -1.075 -6.983 1.00 0.00 C ATOM 1503 CG ASP B 36 -13.088 -1.229 -8.007 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -13.896 -0.321 -8.114 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -13.124 -2.255 -8.667 1.00 0.00 O ATOM 0 H ASP B 36 -10.514 -0.935 -5.022 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.328 -0.920 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.625 -0.039 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -11.107 -1.682 -7.278 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.841 -3.845 -5.480 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.058 -5.289 -5.503 1.00 0.00 C ATOM 1512 C ASP B 37 -11.006 -6.004 -4.669 1.00 0.00 C ATOM 1513 O ASP B 37 -9.904 -6.296 -5.148 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.006 -5.802 -6.950 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.417 -5.997 -7.498 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -13.952 -7.082 -7.328 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.940 -5.064 -8.083 1.00 0.00 O ATOM 0 H ASP B 37 -10.867 -3.570 -5.354 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.040 -5.497 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.462 -5.093 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.461 -6.745 -6.989 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.329 -6.302 -3.436 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.402 -7.013 -2.529 1.00 0.00 C ATOM 1524 C PRO B 38 -10.199 -8.464 -2.952 1.00 0.00 C ATOM 1525 O PRO B 38 -9.156 -9.062 -2.681 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.060 -6.942 -1.156 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.337 -6.176 -1.297 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.612 -5.996 -2.784 1.00 0.00 C ATOM 0 HA PRO B 38 -9.411 -6.559 -2.540 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.256 -7.944 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.399 -6.453 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.158 -6.711 -0.819 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.258 -5.207 -0.804 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.401 -6.666 -3.126 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.938 -4.980 -3.007 1.00 0.00 H new ATOM 1536 N SER B 39 -11.209 -9.016 -3.628 1.00 0.00 N ATOM 1537 CA SER B 39 -11.150 -10.391 -4.104 1.00 0.00 C ATOM 1538 C SER B 39 -10.085 -10.503 -5.177 1.00 0.00 C ATOM 1539 O SER B 39 -9.336 -11.481 -5.226 1.00 0.00 O ATOM 1540 CB SER B 39 -12.509 -10.811 -4.670 1.00 0.00 C ATOM 1541 OG SER B 39 -13.508 -10.625 -3.676 1.00 0.00 O ATOM 0 H SER B 39 -12.075 -8.528 -3.856 1.00 0.00 H new ATOM 0 HA SER B 39 -10.900 -11.051 -3.273 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.746 -10.221 -5.555 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.479 -11.855 -4.982 1.00 0.00 H new ATOM 0 HG SER B 39 -14.380 -10.891 -4.035 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.024 -9.476 -6.029 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.051 -9.436 -7.100 1.00 0.00 C ATOM 1549 C GLN B 40 -7.863 -8.574 -6.712 1.00 0.00 C ATOM 1550 O GLN B 40 -7.148 -8.087 -7.583 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.666 -8.939 -8.422 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.204 -9.050 -8.407 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.797 -8.234 -9.551 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.405 -7.004 -9.724 1.00 0.00 O flip ATOM 1555 NE2 GLN B 40 -12.633 -8.729 -10.305 1.00 0.00 N flip ATOM 0 H GLN B 40 -10.642 -8.665 -5.990 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.709 -10.458 -7.263 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.377 -7.902 -8.592 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.266 -9.521 -9.252 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.502 -10.094 -8.501 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.593 -8.692 -7.454 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.938 -9.693 -10.167 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.022 -8.176 -11.069 1.00 0.00 H new ATOM 1564 N SER B 41 -7.625 -8.405 -5.404 1.00 0.00 N ATOM 1565 CA SER B 41 -6.480 -7.621 -4.965 1.00 0.00 C ATOM 1566 C SER B 41 -5.217 -8.176 -5.606 1.00 0.00 C ATOM 1567 O SER B 41 -4.280 -7.444 -5.910 1.00 0.00 O ATOM 1568 CB SER B 41 -6.348 -7.702 -3.442 1.00 0.00 C ATOM 1569 OG SER B 41 -7.311 -6.859 -2.836 1.00 0.00 O ATOM 0 H SER B 41 -8.198 -8.792 -4.654 1.00 0.00 H new ATOM 0 HA SER B 41 -6.621 -6.581 -5.261 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.489 -8.730 -3.109 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.345 -7.403 -3.137 1.00 0.00 H new ATOM 0 HG SER B 41 -7.522 -7.195 -1.940 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.241 -9.482 -5.815 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.147 -10.205 -6.437 1.00 0.00 C ATOM 1577 C ALA B 42 -4.081 -9.921 -7.941 1.00 0.00 C ATOM 1578 O ALA B 42 -3.026 -10.050 -8.553 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.377 -11.700 -6.230 1.00 0.00 C ATOM 0 H ALA B 42 -6.029 -10.075 -5.555 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.210 -9.883 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.564 -12.261 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.409 -11.919 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.323 -11.989 -6.688 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.239 -9.577 -8.519 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.366 -9.317 -9.949 1.00 0.00 C ATOM 1587 C ASN B 43 -4.687 -8.034 -10.374 1.00 0.00 C ATOM 1588 O ASN B 43 -3.861 -8.031 -11.280 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.828 -9.207 -10.284 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.039 -9.212 -11.796 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.305 -8.167 -12.389 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.934 -10.331 -12.458 1.00 0.00 N ATOM 0 H ASN B 43 -6.113 -9.472 -8.003 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.883 -10.140 -10.476 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.372 -10.037 -9.833 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.235 -8.290 -9.858 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.072 -10.341 -13.469 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.713 -11.196 -11.965 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.036 -6.941 -9.709 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.437 -5.677 -10.027 1.00 0.00 C ATOM 1601 C LEU B 44 -3.026 -5.689 -9.469 1.00 0.00 C ATOM 1602 O LEU B 44 -2.124 -5.067 -10.008 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.321 -4.476 -9.611 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.474 -4.287 -8.111 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.361 -5.368 -7.537 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.137 -4.225 -7.409 1.00 0.00 C ATOM 0 H LEU B 44 -5.724 -6.915 -8.956 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.363 -5.535 -11.105 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.897 -3.566 -10.036 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.311 -4.602 -10.050 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.955 -3.324 -7.939 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.463 -5.222 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.344 -5.318 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.916 -6.344 -7.730 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.294 -4.089 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.592 -5.153 -7.581 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.559 -3.388 -7.800 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.827 -6.488 -8.419 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.504 -6.672 -7.870 1.00 0.00 C ATOM 1620 C LEU B 45 -0.714 -7.354 -8.964 1.00 0.00 C ATOM 1621 O LEU B 45 0.460 -7.078 -9.197 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.558 -7.568 -6.625 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.212 -8.274 -6.409 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.891 -7.231 -6.230 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.296 -9.183 -5.175 1.00 0.00 C ATOM 0 H LEU B 45 -3.564 -7.009 -7.943 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.057 -5.726 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.805 -6.968 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.350 -8.309 -6.737 1.00 0.00 H new ATOM 0 HG LEU B 45 0.022 -8.887 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.846 -7.734 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.949 -6.606 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.666 -6.608 -5.364 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.661 -9.682 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.534 -8.583 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.075 -9.930 -5.326 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.426 -8.224 -9.665 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.854 -8.937 -10.784 1.00 0.00 C ATOM 1639 C ALA B 46 -0.472 -7.898 -11.826 1.00 0.00 C ATOM 1640 O ALA B 46 0.626 -7.920 -12.376 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.877 -9.928 -11.364 1.00 0.00 C ATOM 0 H ALA B 46 -2.402 -8.449 -9.474 1.00 0.00 H new ATOM 0 HA ALA B 46 0.019 -9.511 -10.473 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.433 -10.458 -12.206 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.165 -10.645 -10.595 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.759 -9.384 -11.702 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.393 -6.952 -12.029 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.186 -5.845 -12.944 1.00 0.00 C ATOM 1649 C GLU B 47 0.002 -5.015 -12.477 1.00 0.00 C ATOM 1650 O GLU B 47 0.724 -4.437 -13.281 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.429 -4.934 -12.985 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.641 -5.667 -13.545 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.323 -6.326 -14.891 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.904 -5.622 -15.796 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.500 -7.528 -14.993 1.00 0.00 O ATOM 0 H GLU B 47 -2.299 -6.939 -11.561 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.002 -6.252 -13.938 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.652 -4.576 -11.980 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.218 -4.057 -13.597 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.969 -6.426 -12.835 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.467 -4.967 -13.667 1.00 0.00 H new ATOM 1662 N ALA B 48 0.168 -4.950 -11.156 1.00 0.00 N ATOM 1663 CA ALA B 48 1.231 -4.182 -10.544 1.00 0.00 C ATOM 1664 C ALA B 48 2.573 -4.834 -10.751 1.00 0.00 C ATOM 1665 O ALA B 48 3.518 -4.194 -11.168 1.00 0.00 O ATOM 1666 CB ALA B 48 0.970 -4.131 -9.052 1.00 0.00 C ATOM 0 H ALA B 48 -0.435 -5.431 -10.488 1.00 0.00 H new ATOM 0 HA ALA B 48 1.248 -3.190 -10.996 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.758 -3.557 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.007 -3.655 -8.867 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.957 -5.144 -8.650 1.00 0.00 H new ATOM 1672 N LYS B 49 2.628 -6.121 -10.474 1.00 0.00 N ATOM 1673 CA LYS B 49 3.848 -6.877 -10.653 1.00 0.00 C ATOM 1674 C LYS B 49 4.178 -6.882 -12.142 1.00 0.00 C ATOM 1675 O LYS B 49 5.343 -6.845 -12.539 1.00 0.00 O ATOM 1676 CB LYS B 49 3.645 -8.278 -10.068 1.00 0.00 C ATOM 1677 CG LYS B 49 3.678 -8.212 -8.538 1.00 0.00 C ATOM 1678 CD LYS B 49 3.671 -9.637 -7.963 1.00 0.00 C ATOM 1679 CE LYS B 49 2.299 -10.292 -8.174 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.784 -10.796 -6.869 1.00 0.00 N ATOM 0 H LYS B 49 1.840 -6.665 -10.123 1.00 0.00 H new ATOM 0 HA LYS B 49 4.695 -6.436 -10.128 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.692 -8.687 -10.403 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.424 -8.949 -10.429 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.569 -7.679 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.817 -7.655 -8.169 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.444 -10.235 -8.445 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.908 -9.608 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.601 -9.571 -8.599 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.382 -11.113 -8.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.777 -11.038 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.318 -11.643 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.897 -10.060 -6.143 1.00 0.00 H new ATOM 1694 N LYS B 50 3.116 -6.849 -12.951 1.00 0.00 N ATOM 1695 CA LYS B 50 3.242 -6.762 -14.401 1.00 0.00 C ATOM 1696 C LYS B 50 3.730 -5.373 -14.789 1.00 0.00 C ATOM 1697 O LYS B 50 4.553 -5.228 -15.685 1.00 0.00 O ATOM 1698 CB LYS B 50 1.894 -7.010 -15.069 1.00 0.00 C ATOM 1699 CG LYS B 50 1.572 -8.514 -15.095 1.00 0.00 C ATOM 1700 CD LYS B 50 0.071 -8.728 -15.364 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.336 -8.063 -16.685 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.733 -8.449 -17.025 1.00 0.00 N ATOM 0 H LYS B 50 2.152 -6.882 -12.618 1.00 0.00 H new ATOM 0 HA LYS B 50 3.954 -7.518 -14.731 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.112 -6.474 -14.532 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.908 -6.618 -16.086 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.162 -9.007 -15.868 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.848 -8.970 -14.144 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -0.149 -9.795 -15.404 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -0.515 -8.312 -14.544 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.258 -6.979 -16.598 1.00 0.00 H new ATOM 0 HE3 LYS B 50 0.341 -8.369 -17.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.057 -7.895 -17.844 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.767 -9.462 -17.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.353 -8.259 -16.212 1.00 0.00 H new ATOM 1716 N LEU B 51 3.205 -4.353 -14.103 1.00 0.00 N ATOM 1717 CA LEU B 51 3.598 -2.970 -14.375 1.00 0.00 C ATOM 1718 C LEU B 51 5.017 -2.769 -13.940 1.00 0.00 C ATOM 1719 O LEU B 51 5.819 -2.130 -14.620 1.00 0.00 O ATOM 1720 CB LEU B 51 2.686 -1.991 -13.628 1.00 0.00 C ATOM 1721 CG LEU B 51 1.782 -1.273 -14.623 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.637 -0.320 -15.473 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.062 -2.306 -15.514 1.00 0.00 C ATOM 0 H LEU B 51 2.513 -4.459 -13.362 1.00 0.00 H new ATOM 0 HA LEU B 51 3.505 -2.779 -15.444 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.083 -2.527 -12.895 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.286 -1.266 -13.078 1.00 0.00 H new ATOM 0 HG LEU B 51 1.025 -0.695 -14.093 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.000 0.199 -16.189 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.123 0.409 -14.825 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.395 -0.891 -16.009 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.417 -1.788 -16.224 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.801 -2.895 -16.058 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.459 -2.966 -14.891 1.00 0.00 H new ATOM 1735 N ASN B 52 5.318 -3.378 -12.816 1.00 0.00 N ATOM 1736 CA ASN B 52 6.642 -3.353 -12.271 1.00 0.00 C ATOM 1737 C ASN B 52 7.544 -3.962 -13.306 1.00 0.00 C ATOM 1738 O ASN B 52 8.606 -3.438 -13.630 1.00 0.00 O ATOM 1739 CB ASN B 52 6.646 -4.198 -11.005 1.00 0.00 C ATOM 1740 CG ASN B 52 8.038 -4.715 -10.692 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.776 -4.042 -9.887 1.00 0.00 O flip ATOM 1742 ND2 ASN B 52 8.453 -5.759 -11.193 1.00 0.00 N flip ATOM 0 H ASN B 52 4.645 -3.904 -12.258 1.00 0.00 H new ATOM 0 HA ASN B 52 6.974 -2.344 -12.026 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.279 -3.604 -10.168 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.962 -5.038 -11.124 1.00 0.00 H new ATOM 0 HD21 ASN B 52 7.860 -6.289 -11.832 1.00 0.00 H new ATOM 0 HD22 ASN B 52 9.390 -6.095 -10.969 1.00 0.00 H new ATOM 1749 N ASP B 53 7.049 -5.063 -13.841 1.00 0.00 N ATOM 1750 CA ASP B 53 7.755 -5.779 -14.894 1.00 0.00 C ATOM 1751 C ASP B 53 7.832 -4.910 -16.147 1.00 0.00 C ATOM 1752 O ASP B 53 8.830 -4.921 -16.868 1.00 0.00 O ATOM 1753 CB ASP B 53 7.042 -7.091 -15.235 1.00 0.00 C ATOM 1754 CG ASP B 53 7.920 -7.927 -16.170 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.749 -8.668 -15.670 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.757 -7.801 -17.374 1.00 0.00 O ATOM 0 H ASP B 53 6.161 -5.483 -13.566 1.00 0.00 H new ATOM 0 HA ASP B 53 8.759 -6.007 -14.537 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.831 -7.649 -14.323 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.083 -6.882 -15.710 1.00 0.00 H new ATOM 1761 N ALA B 54 6.754 -4.161 -16.390 1.00 0.00 N ATOM 1762 CA ALA B 54 6.664 -3.284 -17.547 1.00 0.00 C ATOM 1763 C ALA B 54 7.715 -2.185 -17.465 1.00 0.00 C ATOM 1764 O ALA B 54 8.322 -1.817 -18.472 1.00 0.00 O ATOM 1765 CB ALA B 54 5.265 -2.669 -17.606 1.00 0.00 C ATOM 0 H ALA B 54 5.928 -4.149 -15.792 1.00 0.00 H new ATOM 0 HA ALA B 54 6.846 -3.865 -18.451 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.193 -2.011 -18.472 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.522 -3.462 -17.690 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.081 -2.095 -16.698 1.00 0.00 H new ATOM 1771 N GLN B 55 7.931 -1.680 -16.251 1.00 0.00 N ATOM 1772 CA GLN B 55 8.916 -0.633 -16.023 1.00 0.00 C ATOM 1773 C GLN B 55 10.288 -1.231 -15.718 1.00 0.00 C ATOM 1774 O GLN B 55 11.292 -0.516 -15.688 1.00 0.00 O ATOM 1775 CB GLN B 55 8.450 0.229 -14.868 1.00 0.00 C ATOM 1776 CG GLN B 55 7.178 0.976 -15.269 1.00 0.00 C ATOM 1777 CD GLN B 55 6.349 1.268 -14.031 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.889 0.270 -13.333 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.119 2.428 -13.689 1.00 0.00 N flip ATOM 0 H GLN B 55 7.435 -1.982 -15.412 1.00 0.00 H new ATOM 0 HA GLN B 55 9.012 -0.027 -16.924 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.259 -0.391 -13.992 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.230 0.939 -14.593 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.435 1.907 -15.775 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.600 0.379 -15.974 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.483 3.204 -14.241 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.564 2.613 -12.853 1.00 0.00 H new ATOM 1788 N ALA B 56 10.323 -2.549 -15.502 1.00 0.00 N ATOM 1789 CA ALA B 56 11.578 -3.243 -15.208 1.00 0.00 C ATOM 1790 C ALA B 56 12.455 -3.306 -16.445 1.00 0.00 C ATOM 1791 O ALA B 56 11.990 -3.060 -17.562 1.00 0.00 O ATOM 1792 CB ALA B 56 11.315 -4.670 -14.724 1.00 0.00 C ATOM 0 H ALA B 56 9.501 -3.153 -15.525 1.00 0.00 H new ATOM 0 HA ALA B 56 12.085 -2.681 -14.423 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.264 -5.163 -14.513 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.711 -4.641 -13.817 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.782 -5.224 -15.497 1.00 0.00 H new