USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 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= 0.14 K(o=-4.7,f=-5.7) USER MOD Set 1.2: B 52 ASN :FLIP amide:sc= -4.83! C(o=-6.4!,f=-4.7!) USER MOD Set 2.1: B 39 SER OG : rot -86:sc= 0.0142 USER MOD Set 2.2: B 40 GLN : amide:sc= -0.221 K(o=-0.21,f=-5.5!) USER MOD Set 3.1: B 26 GLN :FLIP amide:sc= -1.89! C(o=-17!,f=-3.7!) USER MOD Set 3.2: B 55 GLN :FLIP amide:sc= -1.85 X(o=-3.9!,f=-3.7) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -127:sc= -1.15 (180deg=-4.07!) USER MOD Set 4.2: B 23 ASN : amide:sc= -7.53! C(o=-8.6!,f=-17!) USER MOD Set 4.3: B 24 SER OG : rot -130:sc= 0.0563 USER MOD Set 5.1: A 26 GLN :FLIP amide:sc= -0.47 F(o=-8.5!,f=-3) USER MOD Set 5.2: A 55 GLN :FLIP amide:sc= -2.53! C(o=-7.2!,f=-3!) USER MOD Set 6.1: A 21 ASN : amide:sc= -3.82 K(o=-12,f=-22!) USER MOD Set 6.2: A 52 ASN : amide:sc= -7.88! C(o=-12!,f=-19!) USER MOD Set 7.1: A 13 THR OG1 : rot 120:sc= -3.13 USER MOD Set 7.2: B 17 MET CE :methyl -117:sc= -12! (180deg=-12.4!) USER MOD Set 8.1: A 7 LYS NZ :NH3+ 150:sc= -0.837 (180deg=-0.488) USER MOD Set 8.2: B 7 LYS NZ :NH3+ -132:sc= 0.529 (180deg=-0.638) USER MOD Single : A 4 LYS NZ :NH3+ 150:sc=-0.000584 (180deg=-0.0778) USER MOD Single : A 6 ASN : amide:sc= -4.59! C(o=-4.6!,f=-11!) USER MOD Single : A 18 ASN :FLIP amide:sc= -2.84 F(o=-5,f=-2.8) USER MOD Single : A 23 ASN : amide:sc= -0.791 K(o=-0.79,f=-10!) USER MOD Single : A 33 SER OG : rot 74:sc= 0.8 USER MOD Single : A 39 SER OG : rot -41:sc= 1.23 USER MOD Single : A 40 GLN : amide:sc= -0.0375 K(o=-0.037,f=-1.4!) USER MOD Single : A 41 SER OG : rot 100:sc= -0.537 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= -0.0636 (180deg=-0.549) USER MOD Single : B 6 ASN : amide:sc= -0.537! X(o=-0.54!,f=-0.47) USER MOD Single : B 32 ASN : amide:sc= -0.0495 K(o=-0.05,f=-0.85) USER MOD Single : B 33 SER OG : rot 89:sc= 0.0332 USER MOD Single : B 41 SER OG : rot 130:sc= -3.6! USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 148:sc= 1.2 (180deg=-0.0727) USER MOD Single : B 50 LYS NZ :NH3+ -173:sc= 1.03 (180deg=0.998) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.344 -10.767 7.060 1.00 0.00 N ATOM 46 CA LYS A 4 5.640 -9.923 8.016 1.00 0.00 C ATOM 47 C LYS A 4 5.834 -8.452 7.654 1.00 0.00 C ATOM 48 O LYS A 4 4.889 -7.664 7.693 1.00 0.00 O ATOM 49 CB LYS A 4 6.173 -10.209 9.417 1.00 0.00 C ATOM 50 CG LYS A 4 5.340 -9.473 10.467 1.00 0.00 C ATOM 51 CD LYS A 4 5.768 -9.957 11.852 1.00 0.00 C ATOM 52 CE LYS A 4 7.203 -9.497 12.143 1.00 0.00 C ATOM 53 NZ LYS A 4 8.134 -10.654 12.003 1.00 0.00 N ATOM 0 HA LYS A 4 4.572 -10.141 7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.148 -11.281 9.610 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.215 -9.897 9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.486 -8.396 10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.278 -9.664 10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.090 -9.565 12.610 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.708 -11.044 11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.488 -8.702 11.454 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.267 -9.085 13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.067 -10.313 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.227 -11.138 12.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.758 -11.319 11.297 1.00 0.00 H new ATOM 67 N PHE A 5 7.069 -8.105 7.280 1.00 0.00 N ATOM 68 CA PHE A 5 7.397 -6.746 6.884 1.00 0.00 C ATOM 69 C PHE A 5 6.597 -6.369 5.640 1.00 0.00 C ATOM 70 O PHE A 5 6.121 -5.248 5.526 1.00 0.00 O ATOM 71 CB PHE A 5 8.910 -6.610 6.620 1.00 0.00 C ATOM 72 CG PHE A 5 9.266 -7.143 5.244 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.382 -8.525 5.035 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.467 -6.254 4.175 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.701 -9.016 3.764 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.786 -6.748 2.906 1.00 0.00 C ATOM 77 CZ PHE A 5 9.903 -8.129 2.701 1.00 0.00 C ATOM 0 H PHE A 5 7.855 -8.754 7.246 1.00 0.00 H new ATOM 0 HA PHE A 5 7.134 -6.065 7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.205 -5.563 6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.467 -7.155 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.225 -9.210 5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.375 -5.190 4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.791 -10.080 3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.942 -6.065 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.150 -8.510 1.721 1.00 0.00 H new ATOM 87 N ASN A 6 6.453 -7.329 4.716 1.00 0.00 N ATOM 88 CA ASN A 6 5.699 -7.105 3.490 1.00 0.00 C ATOM 89 C ASN A 6 4.236 -6.870 3.809 1.00 0.00 C ATOM 90 O ASN A 6 3.615 -5.952 3.279 1.00 0.00 O ATOM 91 CB ASN A 6 5.808 -8.334 2.594 1.00 0.00 C ATOM 92 CG ASN A 6 5.102 -8.101 1.267 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.039 -6.980 0.787 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.545 -9.108 0.659 1.00 0.00 N ATOM 0 H ASN A 6 6.851 -8.264 4.801 1.00 0.00 H new ATOM 0 HA ASN A 6 6.108 -6.230 2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.858 -8.568 2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.370 -9.196 3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.053 -8.963 -0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.600 -10.042 1.064 1.00 0.00 H new ATOM 101 N LYS A 7 3.699 -7.703 4.699 1.00 0.00 N ATOM 102 CA LYS A 7 2.316 -7.575 5.098 1.00 0.00 C ATOM 103 C LYS A 7 2.147 -6.229 5.772 1.00 0.00 C ATOM 104 O LYS A 7 1.180 -5.527 5.534 1.00 0.00 O ATOM 105 CB LYS A 7 1.927 -8.716 6.051 1.00 0.00 C ATOM 106 CG LYS A 7 0.399 -8.789 6.182 1.00 0.00 C ATOM 107 CD LYS A 7 -0.010 -10.091 6.887 1.00 0.00 C ATOM 108 CE LYS A 7 -0.482 -11.116 5.851 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.948 -12.347 6.545 1.00 0.00 N ATOM 0 H LYS A 7 4.204 -8.466 5.150 1.00 0.00 H new ATOM 0 HA LYS A 7 1.663 -7.638 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.314 -9.663 5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.377 -8.553 7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.033 -7.931 6.746 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.061 -8.741 5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.833 -10.491 7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.806 -9.892 7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.290 -10.697 5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.331 -11.358 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.693 -12.803 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.150 -13.004 6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.327 -12.096 7.480 1.00 0.00 H new ATOM 123 N GLU A 8 3.131 -5.865 6.591 1.00 0.00 N ATOM 124 CA GLU A 8 3.097 -4.582 7.272 1.00 0.00 C ATOM 125 C GLU A 8 3.310 -3.442 6.285 1.00 0.00 C ATOM 126 O GLU A 8 2.645 -2.418 6.359 1.00 0.00 O ATOM 127 CB GLU A 8 4.135 -4.550 8.398 1.00 0.00 C ATOM 128 CG GLU A 8 4.179 -3.149 9.039 1.00 0.00 C ATOM 129 CD GLU A 8 2.811 -2.754 9.618 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.138 -3.613 10.167 1.00 0.00 O ATOM 131 OE2 GLU A 8 2.465 -1.588 9.512 1.00 0.00 O ATOM 0 H GLU A 8 3.951 -6.436 6.795 1.00 0.00 H new ATOM 0 HA GLU A 8 2.112 -4.449 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.887 -5.296 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.118 -4.809 8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.929 -3.132 9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.486 -2.416 8.293 1.00 0.00 H new ATOM 138 N LEU A 9 4.202 -3.660 5.333 1.00 0.00 N ATOM 139 CA LEU A 9 4.468 -2.679 4.279 1.00 0.00 C ATOM 140 C LEU A 9 3.175 -2.448 3.532 1.00 0.00 C ATOM 141 O LEU A 9 2.820 -1.318 3.209 1.00 0.00 O ATOM 142 CB LEU A 9 5.563 -3.218 3.344 1.00 0.00 C ATOM 143 CG LEU A 9 5.715 -2.321 2.102 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.530 -1.064 2.397 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.423 -3.094 1.014 1.00 0.00 C ATOM 0 H LEU A 9 4.760 -4.511 5.263 1.00 0.00 H new ATOM 0 HA LEU A 9 4.822 -1.736 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.511 -3.269 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.316 -4.234 3.036 1.00 0.00 H new ATOM 0 HG LEU A 9 4.714 -2.021 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.611 -0.462 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.035 -0.484 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.527 -1.348 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.533 -2.463 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.408 -3.400 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.839 -3.978 0.757 1.00 0.00 H new ATOM 157 N GLY A 10 2.448 -3.527 3.306 1.00 0.00 N ATOM 158 CA GLY A 10 1.184 -3.438 2.653 1.00 0.00 C ATOM 159 C GLY A 10 0.148 -2.875 3.601 1.00 0.00 C ATOM 160 O GLY A 10 -0.713 -2.094 3.212 1.00 0.00 O ATOM 0 H GLY A 10 2.725 -4.472 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.265 -2.802 1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.874 -4.424 2.307 1.00 0.00 H new ATOM 164 N TRP A 11 0.203 -3.302 4.856 1.00 0.00 N ATOM 165 CA TRP A 11 -0.780 -2.839 5.801 1.00 0.00 C ATOM 166 C TRP A 11 -0.637 -1.392 6.157 1.00 0.00 C ATOM 167 O TRP A 11 -1.611 -0.646 6.086 1.00 0.00 O ATOM 168 CB TRP A 11 -0.861 -3.686 7.055 1.00 0.00 C ATOM 169 CG TRP A 11 -2.316 -3.769 7.444 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.761 -3.787 8.708 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.526 -3.800 6.583 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.144 -3.870 8.697 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.658 -3.867 7.417 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.752 -3.786 5.179 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.954 -3.915 6.894 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.037 -3.828 4.653 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.145 -3.890 5.505 1.00 0.00 C ATOM 0 H TRP A 11 0.899 -3.949 5.227 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.724 -2.951 5.268 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.454 -4.681 6.874 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.273 -3.242 7.858 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.142 -3.744 9.592 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.717 -3.927 9.539 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.907 -3.742 4.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.805 -3.971 7.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.181 -3.813 3.583 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.144 -3.918 5.095 1.00 0.00 H new ATOM 188 N ALA A 12 0.554 -0.985 6.542 1.00 0.00 N ATOM 189 CA ALA A 12 0.752 0.392 6.901 1.00 0.00 C ATOM 190 C ALA A 12 0.342 1.264 5.716 1.00 0.00 C ATOM 191 O ALA A 12 -0.295 2.294 5.889 1.00 0.00 O ATOM 192 CB ALA A 12 2.206 0.634 7.301 1.00 0.00 C ATOM 0 H ALA A 12 1.381 -1.578 6.612 1.00 0.00 H new ATOM 0 HA ALA A 12 0.136 0.650 7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.340 1.682 7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.458 0.005 8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.859 0.388 6.464 1.00 0.00 H new ATOM 198 N THR A 13 0.646 0.787 4.503 1.00 0.00 N ATOM 199 CA THR A 13 0.249 1.481 3.283 1.00 0.00 C ATOM 200 C THR A 13 -1.257 1.683 3.282 1.00 0.00 C ATOM 201 O THR A 13 -1.734 2.782 3.029 1.00 0.00 O ATOM 202 CB THR A 13 0.665 0.621 2.092 1.00 0.00 C ATOM 203 OG1 THR A 13 2.047 0.788 1.877 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.104 1.011 0.832 1.00 0.00 C ATOM 0 H THR A 13 1.165 -0.077 4.345 1.00 0.00 H new ATOM 0 HA THR A 13 0.730 2.457 3.223 1.00 0.00 H new ATOM 0 HB THR A 13 0.437 -0.422 2.312 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.499 -0.077 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.215 0.381 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.172 0.876 1.001 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.096 2.055 0.592 1.00 0.00 H new ATOM 212 N TRP A 14 -1.981 0.610 3.592 1.00 0.00 N ATOM 213 CA TRP A 14 -3.441 0.639 3.645 1.00 0.00 C ATOM 214 C TRP A 14 -3.944 1.531 4.767 1.00 0.00 C ATOM 215 O TRP A 14 -4.859 2.321 4.580 1.00 0.00 O ATOM 216 CB TRP A 14 -3.939 -0.772 3.907 1.00 0.00 C ATOM 217 CG TRP A 14 -5.405 -0.881 3.632 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.364 -0.929 4.585 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.095 -0.979 2.351 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.592 -1.082 3.976 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.479 -1.118 2.605 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.669 -0.975 1.007 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.394 -1.253 1.571 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.588 -1.110 -0.022 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.940 -1.252 0.256 1.00 0.00 C ATOM 0 H TRP A 14 -1.575 -0.299 3.812 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.810 1.031 2.697 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.394 -1.477 3.279 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.738 -1.046 4.943 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.195 -0.859 5.649 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.475 -1.159 4.480 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.619 -0.866 0.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.447 -1.358 1.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.249 -1.105 -1.047 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.645 -1.363 -0.555 1.00 0.00 H new ATOM 236 N GLU A 15 -3.344 1.378 5.940 1.00 0.00 N ATOM 237 CA GLU A 15 -3.743 2.153 7.105 1.00 0.00 C ATOM 238 C GLU A 15 -3.557 3.644 6.824 1.00 0.00 C ATOM 239 O GLU A 15 -4.405 4.463 7.182 1.00 0.00 O ATOM 240 CB GLU A 15 -2.920 1.688 8.309 1.00 0.00 C ATOM 241 CG GLU A 15 -3.276 0.220 8.625 1.00 0.00 C ATOM 242 CD GLU A 15 -2.289 -0.357 9.639 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.523 -0.197 10.825 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.313 -0.956 9.212 1.00 0.00 O ATOM 0 H GLU A 15 -2.580 0.724 6.109 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.798 1.996 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.855 1.779 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.127 2.320 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.290 0.161 9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.256 -0.372 7.710 1.00 0.00 H new ATOM 251 N ILE A 16 -2.475 3.970 6.116 1.00 0.00 N ATOM 252 CA ILE A 16 -2.204 5.350 5.707 1.00 0.00 C ATOM 253 C ILE A 16 -3.221 5.742 4.626 1.00 0.00 C ATOM 254 O ILE A 16 -3.717 6.868 4.586 1.00 0.00 O ATOM 255 CB ILE A 16 -0.770 5.446 5.135 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.264 5.128 6.229 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.505 6.853 4.597 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.657 4.928 5.608 1.00 0.00 C ATOM 0 H ILE A 16 -1.771 3.297 5.813 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.289 6.022 6.561 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.679 4.722 4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.296 5.940 6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.033 4.229 6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.508 6.905 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.219 7.080 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.615 7.578 5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.377 4.704 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.624 4.100 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.958 5.838 5.089 1.00 0.00 H new ATOM 270 N PHE A 17 -3.516 4.766 3.763 1.00 0.00 N ATOM 271 CA PHE A 17 -4.472 4.922 2.661 1.00 0.00 C ATOM 272 C PHE A 17 -5.878 5.180 3.211 1.00 0.00 C ATOM 273 O PHE A 17 -6.665 5.924 2.623 1.00 0.00 O ATOM 274 CB PHE A 17 -4.486 3.609 1.862 1.00 0.00 C ATOM 275 CG PHE A 17 -4.754 3.825 0.392 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.695 4.123 -0.481 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.048 3.663 -0.107 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.938 4.267 -1.846 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.291 3.796 -1.473 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.236 4.097 -2.343 1.00 0.00 C ATOM 0 H PHE A 17 -3.095 3.838 3.809 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.179 5.764 2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.527 3.105 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.248 2.947 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.693 4.240 -0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.861 3.434 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.128 4.509 -2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.291 3.667 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.424 4.198 -3.402 1.00 0.00 H new ATOM 290 N ASN A 18 -6.179 4.518 4.330 1.00 0.00 N ATOM 291 CA ASN A 18 -7.486 4.611 4.976 1.00 0.00 C ATOM 292 C ASN A 18 -7.557 5.739 6.012 1.00 0.00 C ATOM 293 O ASN A 18 -8.574 5.868 6.700 1.00 0.00 O ATOM 294 CB ASN A 18 -7.812 3.275 5.666 1.00 0.00 C ATOM 295 CG ASN A 18 -8.097 2.181 4.634 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.241 1.944 3.682 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.131 1.518 4.705 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.523 3.903 4.812 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.214 4.835 4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.977 2.975 6.299 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.677 3.400 6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.804 1.701 5.449 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.315 0.786 4.019 1.00 0.00 H new ATOM 304 N LEU A 19 -6.505 6.562 6.135 1.00 0.00 N ATOM 305 CA LEU A 19 -6.548 7.649 7.112 1.00 0.00 C ATOM 306 C LEU A 19 -7.550 8.711 6.647 1.00 0.00 C ATOM 307 O LEU A 19 -7.663 8.968 5.447 1.00 0.00 O ATOM 308 CB LEU A 19 -5.166 8.272 7.328 1.00 0.00 C ATOM 309 CG LEU A 19 -4.478 7.632 8.552 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.098 8.229 8.718 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.258 7.916 9.835 1.00 0.00 C ATOM 0 H LEU A 19 -5.645 6.498 5.590 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.868 7.238 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.551 8.128 6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.263 9.347 7.477 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.430 6.556 8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.609 7.779 9.582 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.507 8.033 7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.183 9.305 8.868 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.749 7.453 10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.318 8.993 9.994 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.264 7.506 9.748 1.00 0.00 H new ATOM 323 N PRO A 20 -8.310 9.291 7.551 1.00 0.00 N ATOM 324 CA PRO A 20 -9.361 10.292 7.211 1.00 0.00 C ATOM 325 C PRO A 20 -8.877 11.737 7.029 1.00 0.00 C ATOM 326 O PRO A 20 -9.721 12.638 7.014 1.00 0.00 O ATOM 327 CB PRO A 20 -10.322 10.215 8.422 1.00 0.00 C ATOM 328 CG PRO A 20 -9.758 9.191 9.352 1.00 0.00 C ATOM 329 CD PRO A 20 -8.287 9.085 9.001 1.00 0.00 C ATOM 0 HA PRO A 20 -9.796 10.052 6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.402 11.184 8.915 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.326 9.936 8.102 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.892 9.490 10.392 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.260 8.231 9.229 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.689 9.840 9.512 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.871 8.114 9.270 1.00 0.00 H new ATOM 337 N ASN A 21 -7.559 12.004 6.915 1.00 0.00 N ATOM 338 CA ASN A 21 -7.152 13.424 6.772 1.00 0.00 C ATOM 339 C ASN A 21 -5.932 13.630 5.879 1.00 0.00 C ATOM 340 O ASN A 21 -5.552 14.774 5.614 1.00 0.00 O ATOM 341 CB ASN A 21 -6.877 14.055 8.144 1.00 0.00 C ATOM 342 CG ASN A 21 -7.703 13.390 9.235 1.00 0.00 C ATOM 343 OD1 ASN A 21 -7.465 12.243 9.587 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.661 14.053 9.799 1.00 0.00 N ATOM 0 H ASN A 21 -6.806 11.316 6.918 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.995 13.916 6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.817 13.965 8.382 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.107 15.120 8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.217 13.619 10.536 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.860 15.010 9.506 1.00 0.00 H new ATOM 351 N LEU A 22 -5.321 12.550 5.416 1.00 0.00 N ATOM 352 CA LEU A 22 -4.144 12.671 4.554 1.00 0.00 C ATOM 353 C LEU A 22 -4.539 12.994 3.125 1.00 0.00 C ATOM 354 O LEU A 22 -5.595 12.567 2.655 1.00 0.00 O ATOM 355 CB LEU A 22 -3.344 11.373 4.570 1.00 0.00 C ATOM 356 CG LEU A 22 -2.933 11.032 6.004 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.137 9.741 6.001 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.055 12.137 6.583 1.00 0.00 C ATOM 0 H LEU A 22 -5.611 11.593 5.615 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.533 13.487 4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.941 10.563 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.458 11.474 3.943 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.833 10.928 6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.842 9.493 7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.750 8.936 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.246 9.864 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.771 11.879 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.158 12.246 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.608 13.077 6.586 1.00 0.00 H new ATOM 370 N ASN A 23 -3.667 13.729 2.427 1.00 0.00 N ATOM 371 CA ASN A 23 -3.927 14.076 1.036 1.00 0.00 C ATOM 372 C ASN A 23 -3.185 13.097 0.138 1.00 0.00 C ATOM 373 O ASN A 23 -2.307 12.363 0.602 1.00 0.00 O ATOM 374 CB ASN A 23 -3.522 15.534 0.740 1.00 0.00 C ATOM 375 CG ASN A 23 -2.005 15.715 0.718 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.278 15.004 1.400 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.484 16.644 -0.035 1.00 0.00 N ATOM 0 H ASN A 23 -2.788 14.088 2.800 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.996 14.002 0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.937 15.837 -0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.954 16.190 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.473 16.777 -0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.088 17.237 -0.604 1.00 0.00 H new ATOM 384 N GLY A 24 -3.556 13.072 -1.137 1.00 0.00 N ATOM 385 CA GLY A 24 -2.942 12.154 -2.091 1.00 0.00 C ATOM 386 C GLY A 24 -1.417 12.176 -2.016 1.00 0.00 C ATOM 387 O GLY A 24 -0.778 11.141 -2.171 1.00 0.00 O ATOM 0 H GLY A 24 -4.277 13.675 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.299 11.142 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.258 12.417 -3.100 1.00 0.00 H new ATOM 391 N VAL A 25 -0.840 13.354 -1.778 1.00 0.00 N ATOM 392 CA VAL A 25 0.615 13.482 -1.704 1.00 0.00 C ATOM 393 C VAL A 25 1.185 12.853 -0.439 1.00 0.00 C ATOM 394 O VAL A 25 2.145 12.091 -0.524 1.00 0.00 O ATOM 395 CB VAL A 25 1.018 14.953 -1.798 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.535 15.088 -1.607 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.635 15.469 -3.189 1.00 0.00 C ATOM 0 H VAL A 25 -1.352 14.225 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 25 1.035 12.938 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 25 0.510 15.529 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.818 16.138 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.814 14.699 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.051 14.522 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.914 16.519 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.158 14.889 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.441 15.367 -3.332 1.00 0.00 H new ATOM 407 N GLN A 26 0.612 13.162 0.728 1.00 0.00 N ATOM 408 CA GLN A 26 1.123 12.587 1.963 1.00 0.00 C ATOM 409 C GLN A 26 1.003 11.075 1.934 1.00 0.00 C ATOM 410 O GLN A 26 1.947 10.374 2.290 1.00 0.00 O ATOM 411 CB GLN A 26 0.394 13.170 3.171 1.00 0.00 C ATOM 412 CG GLN A 26 1.177 14.394 3.676 1.00 0.00 C ATOM 413 CD GLN A 26 0.219 15.445 4.195 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.398 15.222 5.304 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.024 16.487 3.570 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.184 13.790 0.838 1.00 0.00 H new ATOM 0 HA GLN A 26 2.179 12.842 2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.621 13.457 2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.312 12.422 3.960 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.865 14.095 4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.781 14.808 2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.517 16.655 2.693 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.630 17.182 3.929 1.00 0.00 H new ATOM 424 N VAL A 27 -0.140 10.576 1.465 1.00 0.00 N ATOM 425 CA VAL A 27 -0.332 9.132 1.366 1.00 0.00 C ATOM 426 C VAL A 27 0.696 8.557 0.394 1.00 0.00 C ATOM 427 O VAL A 27 1.338 7.546 0.679 1.00 0.00 O ATOM 428 CB VAL A 27 -1.753 8.800 0.890 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.912 7.279 0.791 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.778 9.350 1.894 1.00 0.00 C ATOM 0 H VAL A 27 -0.932 11.138 1.153 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.196 8.688 2.352 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.921 9.254 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.920 7.040 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.187 6.883 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.742 6.831 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.785 9.112 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.610 8.897 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.667 10.432 1.972 1.00 0.00 H new ATOM 440 N LYS A 28 0.865 9.240 -0.742 1.00 0.00 N ATOM 441 CA LYS A 28 1.841 8.830 -1.750 1.00 0.00 C ATOM 442 C LYS A 28 3.252 8.886 -1.171 1.00 0.00 C ATOM 443 O LYS A 28 4.095 8.063 -1.510 1.00 0.00 O ATOM 444 CB LYS A 28 1.756 9.735 -2.995 1.00 0.00 C ATOM 445 CG LYS A 28 0.579 9.306 -3.890 1.00 0.00 C ATOM 446 CD LYS A 28 0.238 10.427 -4.888 1.00 0.00 C ATOM 447 CE LYS A 28 1.260 10.456 -6.032 1.00 0.00 C ATOM 448 NZ LYS A 28 2.546 11.033 -5.547 1.00 0.00 N ATOM 0 H LYS A 28 0.338 10.079 -0.985 1.00 0.00 H new ATOM 0 HA LYS A 28 1.613 7.806 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.629 10.774 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.688 9.679 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.835 8.394 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.292 9.079 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.763 10.272 -5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.230 11.389 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.424 9.447 -6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.875 11.049 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.834 11.813 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.422 11.393 -4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.280 10.297 -5.551 1.00 0.00 H new ATOM 462 N ALA A 29 3.493 9.869 -0.302 1.00 0.00 N ATOM 463 CA ALA A 29 4.793 10.049 0.325 1.00 0.00 C ATOM 464 C ALA A 29 5.059 8.956 1.322 1.00 0.00 C ATOM 465 O ALA A 29 6.151 8.395 1.363 1.00 0.00 O ATOM 466 CB ALA A 29 4.840 11.381 1.048 1.00 0.00 C ATOM 0 H ALA A 29 2.794 10.556 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 29 5.551 10.019 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.817 11.507 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.671 12.188 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.066 11.406 1.815 1.00 0.00 H new ATOM 472 N PHE A 30 4.042 8.644 2.115 1.00 0.00 N ATOM 473 CA PHE A 30 4.163 7.602 3.085 1.00 0.00 C ATOM 474 C PHE A 30 4.388 6.313 2.333 1.00 0.00 C ATOM 475 O PHE A 30 5.223 5.499 2.722 1.00 0.00 O ATOM 476 CB PHE A 30 2.910 7.533 3.947 1.00 0.00 C ATOM 477 CG PHE A 30 2.740 8.815 4.753 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.831 9.367 5.453 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.487 9.459 4.805 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.666 10.538 6.186 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.337 10.629 5.544 1.00 0.00 C ATOM 482 CZ PHE A 30 2.422 11.165 6.232 1.00 0.00 C ATOM 0 H PHE A 30 3.133 9.105 2.094 1.00 0.00 H new ATOM 0 HA PHE A 30 4.999 7.790 3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.036 7.376 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.973 6.679 4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.795 8.881 5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.644 9.045 4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.503 10.962 6.720 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.377 11.122 5.584 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.299 12.072 6.805 1.00 0.00 H new ATOM 492 N ILE A 31 3.686 6.178 1.199 1.00 0.00 N ATOM 493 CA ILE A 31 3.868 5.022 0.349 1.00 0.00 C ATOM 494 C ILE A 31 5.292 5.023 -0.158 1.00 0.00 C ATOM 495 O ILE A 31 5.980 4.030 -0.061 1.00 0.00 O ATOM 496 CB ILE A 31 2.878 5.017 -0.838 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.513 4.482 -0.347 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.422 4.133 -1.994 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.457 4.600 -1.448 1.00 0.00 C ATOM 0 H ILE A 31 2.998 6.852 0.863 1.00 0.00 H new ATOM 0 HA ILE A 31 3.670 4.122 0.931 1.00 0.00 H new ATOM 0 HB ILE A 31 2.758 6.032 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.613 3.440 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.193 5.041 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.713 4.140 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.380 4.527 -2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.555 3.111 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.496 4.218 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.343 5.646 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.770 4.020 -2.316 1.00 0.00 H new ATOM 511 N ASP A 32 5.721 6.159 -0.682 1.00 0.00 N ATOM 512 CA ASP A 32 7.072 6.288 -1.217 1.00 0.00 C ATOM 513 C ASP A 32 8.116 5.932 -0.172 1.00 0.00 C ATOM 514 O ASP A 32 9.086 5.231 -0.460 1.00 0.00 O ATOM 515 CB ASP A 32 7.296 7.717 -1.738 1.00 0.00 C ATOM 516 CG ASP A 32 6.650 7.899 -3.116 1.00 0.00 C ATOM 517 OD1 ASP A 32 6.842 7.038 -3.962 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.987 8.906 -3.311 1.00 0.00 O ATOM 0 H ASP A 32 5.156 7.006 -0.750 1.00 0.00 H new ATOM 0 HA ASP A 32 7.180 5.587 -2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.874 8.436 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.364 7.923 -1.802 1.00 0.00 H new ATOM 523 N SER A 33 7.883 6.392 1.040 1.00 0.00 N ATOM 524 CA SER A 33 8.774 6.107 2.157 1.00 0.00 C ATOM 525 C SER A 33 8.720 4.613 2.488 1.00 0.00 C ATOM 526 O SER A 33 9.727 3.997 2.826 1.00 0.00 O ATOM 527 CB SER A 33 8.347 6.942 3.361 1.00 0.00 C ATOM 528 OG SER A 33 8.452 8.321 3.033 1.00 0.00 O ATOM 0 H SER A 33 7.078 6.970 1.282 1.00 0.00 H new ATOM 0 HA SER A 33 9.800 6.365 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.322 6.700 3.642 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.976 6.711 4.221 1.00 0.00 H new ATOM 0 HG SER A 33 7.719 8.571 2.433 1.00 0.00 H new ATOM 534 N LEU A 34 7.521 4.056 2.350 1.00 0.00 N ATOM 535 CA LEU A 34 7.256 2.633 2.580 1.00 0.00 C ATOM 536 C LEU A 34 8.050 1.780 1.589 1.00 0.00 C ATOM 537 O LEU A 34 8.789 0.883 1.983 1.00 0.00 O ATOM 538 CB LEU A 34 5.759 2.424 2.358 1.00 0.00 C ATOM 539 CG LEU A 34 5.009 2.284 3.678 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.785 3.199 3.697 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.552 0.849 3.810 1.00 0.00 C ATOM 0 H LEU A 34 6.693 4.583 2.072 1.00 0.00 H new ATOM 0 HA LEU A 34 7.553 2.340 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.353 3.265 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.602 1.531 1.753 1.00 0.00 H new ATOM 0 HG LEU A 34 5.666 2.562 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.261 3.086 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.103 4.235 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.116 2.929 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.012 0.724 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.895 0.598 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.419 0.189 3.800 1.00 0.00 H new ATOM 553 N ARG A 35 7.898 2.086 0.306 1.00 0.00 N ATOM 554 CA ARG A 35 8.624 1.351 -0.752 1.00 0.00 C ATOM 555 C ARG A 35 10.127 1.546 -0.568 1.00 0.00 C ATOM 556 O ARG A 35 10.906 0.595 -0.649 1.00 0.00 O ATOM 557 CB ARG A 35 8.237 1.836 -2.170 1.00 0.00 C ATOM 558 CG ARG A 35 7.046 2.793 -2.096 1.00 0.00 C ATOM 559 CD ARG A 35 6.463 3.163 -3.469 1.00 0.00 C ATOM 560 NE ARG A 35 7.198 2.545 -4.553 1.00 0.00 N ATOM 561 CZ ARG A 35 6.776 1.431 -5.127 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.189 0.517 -4.411 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.940 1.260 -6.402 1.00 0.00 N ATOM 0 H ARG A 35 7.288 2.828 -0.036 1.00 0.00 H new ATOM 0 HA ARG A 35 8.351 0.300 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.086 2.337 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.987 0.981 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.263 2.338 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.355 3.705 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.419 2.853 -3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.480 4.246 -3.590 1.00 0.00 H new ATOM 0 HE ARG A 35 8.061 2.979 -4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.055 0.661 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.862 -0.343 -4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.394 1.984 -6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.615 0.402 -6.847 1.00 0.00 H new ATOM 577 N ASP A 36 10.509 2.797 -0.305 1.00 0.00 N ATOM 578 CA ASP A 36 11.906 3.157 -0.089 1.00 0.00 C ATOM 579 C ASP A 36 12.442 2.460 1.152 1.00 0.00 C ATOM 580 O ASP A 36 13.619 2.098 1.221 1.00 0.00 O ATOM 581 CB ASP A 36 12.029 4.667 0.085 1.00 0.00 C ATOM 582 CG ASP A 36 13.501 5.084 0.094 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.048 5.278 -0.979 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.058 5.199 1.174 1.00 0.00 O ATOM 0 H ASP A 36 9.862 3.582 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 36 12.487 2.841 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.505 5.177 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.552 4.972 1.016 1.00 0.00 H new ATOM 589 N ASP A 37 11.557 2.284 2.128 1.00 0.00 N ATOM 590 CA ASP A 37 11.918 1.637 3.383 1.00 0.00 C ATOM 591 C ASP A 37 10.707 0.944 3.999 1.00 0.00 C ATOM 592 O ASP A 37 9.915 1.562 4.716 1.00 0.00 O ATOM 593 CB ASP A 37 12.504 2.664 4.366 1.00 0.00 C ATOM 594 CG ASP A 37 13.260 1.955 5.494 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.728 0.995 6.032 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.356 2.385 5.809 1.00 0.00 O ATOM 0 H ASP A 37 10.583 2.581 2.073 1.00 0.00 H new ATOM 0 HA ASP A 37 12.676 0.882 3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.177 3.339 3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.703 3.274 4.784 1.00 0.00 H new ATOM 601 N PRO A 38 10.554 -0.327 3.726 1.00 0.00 N ATOM 602 CA PRO A 38 9.424 -1.129 4.254 1.00 0.00 C ATOM 603 C PRO A 38 9.558 -1.446 5.741 1.00 0.00 C ATOM 604 O PRO A 38 8.568 -1.622 6.442 1.00 0.00 O ATOM 605 CB PRO A 38 9.430 -2.397 3.410 1.00 0.00 C ATOM 606 CG PRO A 38 10.548 -2.283 2.424 1.00 0.00 C ATOM 607 CD PRO A 38 11.439 -1.141 2.880 1.00 0.00 C ATOM 0 HA PRO A 38 8.485 -0.580 4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.565 -3.275 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.477 -2.518 2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.112 -3.214 2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.160 -2.091 1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.303 -1.504 3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.822 -0.570 2.035 1.00 0.00 H new ATOM 615 N SER A 39 10.783 -1.498 6.230 1.00 0.00 N ATOM 616 CA SER A 39 10.995 -1.757 7.650 1.00 0.00 C ATOM 617 C SER A 39 10.511 -0.536 8.444 1.00 0.00 C ATOM 618 O SER A 39 10.315 -0.599 9.658 1.00 0.00 O ATOM 619 CB SER A 39 12.477 -2.037 7.940 1.00 0.00 C ATOM 620 OG SER A 39 13.215 -0.822 7.925 1.00 0.00 O ATOM 0 H SER A 39 11.633 -1.368 5.682 1.00 0.00 H new ATOM 0 HA SER A 39 10.431 -2.641 7.949 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.580 -2.523 8.910 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.878 -2.724 7.195 1.00 0.00 H new ATOM 0 HG SER A 39 12.908 -0.262 7.182 1.00 0.00 H new ATOM 626 N GLN A 40 10.328 0.574 7.715 1.00 0.00 N ATOM 627 CA GLN A 40 9.875 1.840 8.290 1.00 0.00 C ATOM 628 C GLN A 40 8.366 2.054 8.074 1.00 0.00 C ATOM 629 O GLN A 40 7.829 3.072 8.467 1.00 0.00 O ATOM 630 CB GLN A 40 10.658 2.981 7.615 1.00 0.00 C ATOM 631 CG GLN A 40 10.572 4.275 8.432 1.00 0.00 C ATOM 632 CD GLN A 40 11.445 5.349 7.792 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.074 5.924 6.768 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.593 5.652 8.331 1.00 0.00 N ATOM 0 H GLN A 40 10.491 0.615 6.709 1.00 0.00 H new ATOM 0 HA GLN A 40 10.054 1.824 9.365 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.702 2.690 7.500 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.263 3.154 6.614 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.538 4.616 8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.897 4.092 9.456 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.900 5.176 9.179 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.184 6.366 7.905 1.00 0.00 H new ATOM 643 N SER A 41 7.691 1.108 7.432 1.00 0.00 N ATOM 644 CA SER A 41 6.254 1.249 7.137 1.00 0.00 C ATOM 645 C SER A 41 5.435 1.652 8.362 1.00 0.00 C ATOM 646 O SER A 41 4.516 2.469 8.259 1.00 0.00 O ATOM 647 CB SER A 41 5.712 -0.088 6.649 1.00 0.00 C ATOM 648 OG SER A 41 6.559 -0.596 5.643 1.00 0.00 O ATOM 0 H SER A 41 8.105 0.236 7.103 1.00 0.00 H new ATOM 0 HA SER A 41 6.162 2.032 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.650 -0.793 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.701 0.036 6.261 1.00 0.00 H new ATOM 0 HG SER A 41 7.159 -1.268 6.029 1.00 0.00 H new ATOM 654 N ALA A 42 5.776 1.087 9.510 1.00 0.00 N ATOM 655 CA ALA A 42 5.079 1.389 10.755 1.00 0.00 C ATOM 656 C ALA A 42 5.268 2.847 11.117 1.00 0.00 C ATOM 657 O ALA A 42 4.367 3.504 11.634 1.00 0.00 O ATOM 658 CB ALA A 42 5.678 0.548 11.867 1.00 0.00 C ATOM 0 H ALA A 42 6.535 0.413 9.607 1.00 0.00 H new ATOM 0 HA ALA A 42 4.018 1.174 10.629 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.165 0.765 12.804 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.563 -0.509 11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.737 0.783 11.971 1.00 0.00 H new ATOM 664 N ASN A 43 6.470 3.320 10.840 1.00 0.00 N ATOM 665 CA ASN A 43 6.858 4.681 11.122 1.00 0.00 C ATOM 666 C ASN A 43 6.122 5.661 10.220 1.00 0.00 C ATOM 667 O ASN A 43 5.786 6.766 10.617 1.00 0.00 O ATOM 668 CB ASN A 43 8.361 4.792 10.891 1.00 0.00 C ATOM 669 CG ASN A 43 9.119 4.627 12.205 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.021 5.473 13.092 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.875 3.578 12.382 1.00 0.00 N ATOM 0 H ASN A 43 7.207 2.762 10.409 1.00 0.00 H new ATOM 0 HA ASN A 43 6.602 4.929 12.152 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.683 4.030 10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.596 5.760 10.448 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.386 3.459 13.257 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.955 2.877 11.645 1.00 0.00 H new ATOM 678 N LEU A 44 5.900 5.224 9.000 1.00 0.00 N ATOM 679 CA LEU A 44 5.223 6.009 7.978 1.00 0.00 C ATOM 680 C LEU A 44 3.766 6.050 8.290 1.00 0.00 C ATOM 681 O LEU A 44 3.097 7.072 8.153 1.00 0.00 O ATOM 682 CB LEU A 44 5.526 5.343 6.647 1.00 0.00 C ATOM 683 CG LEU A 44 7.050 5.249 6.586 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.512 4.317 5.490 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.604 6.645 6.412 1.00 0.00 C ATOM 0 H LEU A 44 6.187 4.299 8.680 1.00 0.00 H new ATOM 0 HA LEU A 44 5.564 7.044 7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.068 4.356 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.134 5.928 5.815 1.00 0.00 H new ATOM 0 HG LEU A 44 7.427 4.822 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.601 4.278 5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.115 3.318 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.153 4.681 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.692 6.601 6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.219 7.077 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.301 7.264 7.256 1.00 0.00 H new ATOM 697 N LEU A 45 3.324 4.931 8.800 1.00 0.00 N ATOM 698 CA LEU A 45 1.967 4.792 9.270 1.00 0.00 C ATOM 699 C LEU A 45 1.819 5.709 10.476 1.00 0.00 C ATOM 700 O LEU A 45 0.799 6.363 10.670 1.00 0.00 O ATOM 701 CB LEU A 45 1.709 3.330 9.645 1.00 0.00 C ATOM 702 CG LEU A 45 0.451 3.203 10.508 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.759 3.791 9.771 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.219 1.723 10.810 1.00 0.00 C ATOM 0 H LEU A 45 3.892 4.090 8.902 1.00 0.00 H new ATOM 0 HA LEU A 45 1.241 5.067 8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.596 2.732 8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.568 2.932 10.185 1.00 0.00 H new ATOM 0 HG LEU A 45 0.582 3.755 11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.647 3.695 10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.578 4.844 9.557 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.912 3.252 8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.674 1.613 11.425 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.086 1.177 9.876 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.080 1.322 11.345 1.00 0.00 H new ATOM 716 N ALA A 46 2.889 5.764 11.257 1.00 0.00 N ATOM 717 CA ALA A 46 2.947 6.611 12.434 1.00 0.00 C ATOM 718 C ALA A 46 2.898 8.063 12.017 1.00 0.00 C ATOM 719 O ALA A 46 2.155 8.873 12.573 1.00 0.00 O ATOM 720 CB ALA A 46 4.257 6.374 13.180 1.00 0.00 C ATOM 0 H ALA A 46 3.738 5.223 11.091 1.00 0.00 H new ATOM 0 HA ALA A 46 2.101 6.372 13.078 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.294 7.013 14.062 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.318 5.329 13.486 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.096 6.610 12.526 1.00 0.00 H new ATOM 726 N GLU A 47 3.700 8.358 11.006 1.00 0.00 N ATOM 727 CA GLU A 47 3.786 9.680 10.448 1.00 0.00 C ATOM 728 C GLU A 47 2.457 10.062 9.857 1.00 0.00 C ATOM 729 O GLU A 47 2.026 11.201 9.945 1.00 0.00 O ATOM 730 CB GLU A 47 4.819 9.676 9.334 1.00 0.00 C ATOM 731 CG GLU A 47 6.241 9.792 9.872 1.00 0.00 C ATOM 732 CD GLU A 47 6.373 10.969 10.847 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.036 12.079 10.464 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.796 10.739 11.968 1.00 0.00 O ATOM 0 H GLU A 47 4.309 7.676 10.554 1.00 0.00 H new ATOM 0 HA GLU A 47 4.065 10.387 11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.724 8.757 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.621 10.504 8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.518 8.866 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.936 9.924 9.043 1.00 0.00 H new ATOM 741 N ALA A 48 1.818 9.082 9.255 1.00 0.00 N ATOM 742 CA ALA A 48 0.542 9.283 8.645 1.00 0.00 C ATOM 743 C ALA A 48 -0.484 9.568 9.718 1.00 0.00 C ATOM 744 O ALA A 48 -1.243 10.520 9.610 1.00 0.00 O ATOM 745 CB ALA A 48 0.200 8.035 7.875 1.00 0.00 C ATOM 0 H ALA A 48 2.176 8.130 9.180 1.00 0.00 H new ATOM 0 HA ALA A 48 0.556 10.134 7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.772 8.158 7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.960 7.857 7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.164 7.185 8.557 1.00 0.00 H new ATOM 751 N LYS A 49 -0.459 8.765 10.783 1.00 0.00 N ATOM 752 CA LYS A 49 -1.358 8.981 11.905 1.00 0.00 C ATOM 753 C LYS A 49 -1.101 10.365 12.479 1.00 0.00 C ATOM 754 O LYS A 49 -2.005 11.020 12.992 1.00 0.00 O ATOM 755 CB LYS A 49 -1.164 7.905 12.978 1.00 0.00 C ATOM 756 CG LYS A 49 -1.795 6.596 12.491 1.00 0.00 C ATOM 757 CD LYS A 49 -1.694 5.526 13.580 1.00 0.00 C ATOM 758 CE LYS A 49 -2.274 4.213 13.051 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.547 3.291 14.191 1.00 0.00 N ATOM 0 H LYS A 49 0.169 7.968 10.887 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.390 8.914 11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.102 7.760 13.178 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.625 8.220 13.914 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.840 6.762 12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.291 6.255 11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.654 5.386 13.873 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.236 5.844 14.471 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.193 4.406 12.498 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.575 3.750 12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.941 2.399 13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.661 3.097 14.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.229 3.733 14.839 1.00 0.00 H new ATOM 773 N LYS A 50 0.145 10.810 12.364 1.00 0.00 N ATOM 774 CA LYS A 50 0.520 12.117 12.837 1.00 0.00 C ATOM 775 C LYS A 50 0.004 13.182 11.890 1.00 0.00 C ATOM 776 O LYS A 50 -0.511 14.215 12.317 1.00 0.00 O ATOM 777 CB LYS A 50 2.048 12.185 12.960 1.00 0.00 C ATOM 778 CG LYS A 50 2.490 13.484 13.645 1.00 0.00 C ATOM 779 CD LYS A 50 3.912 13.837 13.182 1.00 0.00 C ATOM 780 CE LYS A 50 4.929 12.840 13.756 1.00 0.00 C ATOM 781 NZ LYS A 50 4.957 12.949 15.243 1.00 0.00 N ATOM 0 H LYS A 50 0.907 10.276 11.945 1.00 0.00 H new ATOM 0 HA LYS A 50 0.077 12.297 13.816 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.408 11.329 13.530 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.499 12.121 11.970 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.802 14.293 13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.466 13.365 14.728 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.959 13.827 12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.164 14.848 13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.663 11.825 13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.920 13.041 13.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.860 12.579 15.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.858 13.947 15.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.173 12.398 15.646 1.00 0.00 H new ATOM 795 N LEU A 51 0.152 12.911 10.601 1.00 0.00 N ATOM 796 CA LEU A 51 -0.288 13.838 9.577 1.00 0.00 C ATOM 797 C LEU A 51 -1.802 13.902 9.526 1.00 0.00 C ATOM 798 O LEU A 51 -2.381 14.981 9.402 1.00 0.00 O ATOM 799 CB LEU A 51 0.262 13.431 8.203 1.00 0.00 C ATOM 800 CG LEU A 51 1.569 14.173 7.889 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.373 15.689 8.027 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.690 13.698 8.827 1.00 0.00 C ATOM 0 H LEU A 51 0.574 12.055 10.243 1.00 0.00 H new ATOM 0 HA LEU A 51 0.097 14.825 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.437 12.355 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.478 13.649 7.433 1.00 0.00 H new ATOM 0 HG LEU A 51 1.853 13.951 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.309 16.199 7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.602 16.021 7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.068 15.925 9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.611 14.232 8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.408 13.896 9.861 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.847 12.628 8.693 1.00 0.00 H new ATOM 814 N ASN A 52 -2.436 12.737 9.630 1.00 0.00 N ATOM 815 CA ASN A 52 -3.878 12.669 9.605 1.00 0.00 C ATOM 816 C ASN A 52 -4.415 13.390 10.823 1.00 0.00 C ATOM 817 O ASN A 52 -5.342 14.182 10.721 1.00 0.00 O ATOM 818 CB ASN A 52 -4.358 11.208 9.568 1.00 0.00 C ATOM 819 CG ASN A 52 -4.856 10.734 10.936 1.00 0.00 C ATOM 820 OD1 ASN A 52 -4.075 10.319 11.774 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.118 10.775 11.205 1.00 0.00 N ATOM 0 H ASN A 52 -1.969 11.836 9.732 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.254 13.151 8.703 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.159 11.108 8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.542 10.566 9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.456 10.461 12.115 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.777 11.121 10.508 1.00 0.00 H new ATOM 828 N ASP A 53 -3.803 13.114 11.979 1.00 0.00 N ATOM 829 CA ASP A 53 -4.226 13.757 13.207 1.00 0.00 C ATOM 830 C ASP A 53 -3.988 15.258 13.116 1.00 0.00 C ATOM 831 O ASP A 53 -4.820 16.058 13.547 1.00 0.00 O ATOM 832 CB ASP A 53 -3.488 13.176 14.414 1.00 0.00 C ATOM 833 CG ASP A 53 -3.994 13.832 15.699 1.00 0.00 C ATOM 834 OD1 ASP A 53 -5.019 13.399 16.199 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.353 14.765 16.157 1.00 0.00 O ATOM 0 H ASP A 53 -3.027 12.460 12.081 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.292 13.571 13.342 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.642 12.098 14.461 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.416 13.341 14.309 1.00 0.00 H new ATOM 840 N ALA A 54 -2.849 15.626 12.530 1.00 0.00 N ATOM 841 CA ALA A 54 -2.505 17.026 12.354 1.00 0.00 C ATOM 842 C ALA A 54 -3.538 17.688 11.448 1.00 0.00 C ATOM 843 O ALA A 54 -3.940 18.830 11.674 1.00 0.00 O ATOM 844 CB ALA A 54 -1.112 17.142 11.733 1.00 0.00 C ATOM 0 H ALA A 54 -2.154 14.971 12.172 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.501 17.526 13.322 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.858 18.194 11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.381 16.671 12.390 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.103 16.644 10.763 1.00 0.00 H new ATOM 850 N GLN A 55 -3.975 16.937 10.433 1.00 0.00 N ATOM 851 CA GLN A 55 -4.981 17.421 9.495 1.00 0.00 C ATOM 852 C GLN A 55 -6.391 17.165 10.033 1.00 0.00 C ATOM 853 O GLN A 55 -7.379 17.603 9.439 1.00 0.00 O ATOM 854 CB GLN A 55 -4.786 16.711 8.156 1.00 0.00 C ATOM 855 CG GLN A 55 -3.541 17.269 7.460 1.00 0.00 C ATOM 856 CD GLN A 55 -3.153 16.370 6.296 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.753 15.158 6.540 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.216 16.779 5.137 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.645 15.991 10.243 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.865 18.497 9.363 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.678 15.638 8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.663 16.854 7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.736 18.280 7.101 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.716 17.336 8.170 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.530 17.731 4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.954 16.166 4.365 1.00 0.00 H new ATOM 867 N ALA A 56 -6.468 16.458 11.162 1.00 0.00 N ATOM 868 CA ALA A 56 -7.752 16.145 11.789 1.00 0.00 C ATOM 869 C ALA A 56 -8.161 17.258 12.743 1.00 0.00 C ATOM 870 O ALA A 56 -7.342 18.106 13.107 1.00 0.00 O ATOM 871 CB ALA A 56 -7.665 14.820 12.561 1.00 0.00 C ATOM 0 H ALA A 56 -5.657 16.092 11.660 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.500 16.052 11.002 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.629 14.603 13.021 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.401 14.016 11.874 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.903 14.900 13.336 1.00 0.00 H new ATOM 981 N PHE B 5 -10.380 -11.802 1.604 1.00 0.00 N ATOM 982 CA PHE B 5 -9.085 -11.476 1.050 1.00 0.00 C ATOM 983 C PHE B 5 -8.465 -10.274 1.738 1.00 0.00 C ATOM 984 O PHE B 5 -7.435 -9.815 1.306 1.00 0.00 O ATOM 985 CB PHE B 5 -9.220 -11.209 -0.452 1.00 0.00 C ATOM 986 CG PHE B 5 -9.295 -12.531 -1.162 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.394 -13.365 -0.944 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.266 -12.932 -2.019 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.464 -14.606 -1.579 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.335 -14.170 -2.658 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.433 -15.010 -2.438 1.00 0.00 C ATOM 0 HA PHE B 5 -8.424 -12.327 1.216 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.114 -10.619 -0.654 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.369 -10.632 -0.813 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.189 -13.050 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.418 -12.284 -2.186 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.311 -15.254 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.542 -14.480 -3.322 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.486 -15.970 -2.930 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.072 -9.775 2.817 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.486 -8.633 3.528 1.00 0.00 C ATOM 1003 C ASN B 6 -7.056 -8.988 3.920 1.00 0.00 C ATOM 1004 O ASN B 6 -6.134 -8.207 3.697 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.308 -8.290 4.774 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.935 -6.897 5.275 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.789 -6.014 5.356 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.698 -6.641 5.601 1.00 0.00 N ATOM 0 H ASN B 6 -9.944 -10.130 3.210 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.488 -7.759 2.877 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.372 -8.329 4.541 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.126 -9.028 5.555 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.438 -5.709 5.923 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.991 -7.373 5.534 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.881 -10.202 4.441 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.556 -10.701 4.803 1.00 0.00 C ATOM 1017 C LYS B 7 -4.688 -10.766 3.550 1.00 0.00 C ATOM 1018 O LYS B 7 -3.528 -10.349 3.550 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.700 -12.108 5.408 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.320 -12.730 5.675 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.496 -14.187 6.125 1.00 0.00 C ATOM 1022 CE LYS B 7 -3.133 -14.888 6.177 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.560 -14.965 4.800 1.00 0.00 N ATOM 0 H LYS B 7 -7.641 -10.858 4.622 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.091 -10.037 5.532 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.265 -12.053 6.338 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.266 -12.745 4.728 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.709 -12.688 4.773 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.795 -12.162 6.443 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.968 -14.218 7.107 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.158 -14.712 5.436 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.456 -14.342 6.834 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.243 -15.889 6.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.225 -15.932 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.292 -14.715 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.764 -14.301 4.718 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.288 -11.297 2.489 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.625 -11.447 1.198 1.00 0.00 C ATOM 1039 C GLU B 8 -4.336 -10.081 0.567 1.00 0.00 C ATOM 1040 O GLU B 8 -3.352 -9.909 -0.156 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.544 -12.262 0.262 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.843 -13.647 0.869 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.554 -14.335 1.333 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.699 -14.582 0.498 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.444 -14.604 2.521 1.00 0.00 O ATOM 0 H GLU B 8 -6.250 -11.636 2.500 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.675 -11.962 1.345 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.476 -11.722 0.098 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.068 -12.380 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.525 -13.539 1.712 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.346 -14.271 0.130 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.221 -9.129 0.844 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.124 -7.781 0.321 1.00 0.00 C ATOM 1054 C ARG B 9 -3.898 -7.089 0.891 1.00 0.00 C ATOM 1055 O ARG B 9 -3.172 -6.405 0.182 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.372 -6.990 0.728 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.466 -5.695 -0.086 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.165 -4.606 0.735 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.371 -5.131 1.360 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.439 -4.369 1.555 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.074 -3.864 0.535 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.851 -4.129 2.766 1.00 0.00 N ATOM 0 H ARG B 9 -6.032 -9.278 1.444 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.044 -7.826 -0.765 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.264 -7.595 0.566 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.333 -6.757 1.792 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.468 -5.362 -0.371 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -7.017 -5.876 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.487 -4.228 1.500 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.419 -3.764 0.091 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.395 -6.107 1.655 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.750 -4.055 -0.413 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.895 -3.278 0.685 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -9.353 -4.527 3.562 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.672 -3.543 2.919 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.693 -7.279 2.194 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.574 -6.664 2.897 1.00 0.00 C ATOM 1078 C VAL B 10 -1.256 -7.082 2.255 1.00 0.00 C ATOM 1079 O VAL B 10 -0.340 -6.275 2.120 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.585 -7.085 4.376 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.530 -6.292 5.149 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.988 -6.881 4.993 1.00 0.00 C ATOM 0 H VAL B 10 -4.292 -7.857 2.784 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.674 -5.581 2.832 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.343 -8.146 4.442 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.542 -6.594 6.196 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.545 -6.489 4.726 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.750 -5.227 5.076 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.973 -7.185 6.040 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.266 -5.829 4.925 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.715 -7.485 4.450 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.180 -8.344 1.848 1.00 0.00 N ATOM 1093 CA ILE B 11 0.021 -8.860 1.204 1.00 0.00 C ATOM 1094 C ILE B 11 0.179 -8.247 -0.186 1.00 0.00 C ATOM 1095 O ILE B 11 1.291 -7.910 -0.588 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.037 -10.390 1.126 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.335 -10.941 2.544 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.309 -10.922 0.595 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.447 -12.232 2.823 1.00 0.00 C ATOM 0 H ILE B 11 -1.932 -9.025 1.952 1.00 0.00 H new ATOM 0 HA ILE B 11 0.891 -8.582 1.799 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.824 -10.716 0.446 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.075 -10.189 3.289 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.403 -11.133 2.644 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.273 -12.010 0.538 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.496 -10.512 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.111 -10.621 1.269 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.213 -12.589 3.826 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.168 -12.992 2.093 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.516 -12.033 2.749 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.942 -8.082 -0.904 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.906 -7.481 -2.230 1.00 0.00 C ATOM 1113 C ALA B 12 -0.441 -6.064 -2.116 1.00 0.00 C ATOM 1114 O ALA B 12 0.450 -5.663 -2.846 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.293 -7.514 -2.862 1.00 0.00 C ATOM 0 H ALA B 12 -1.872 -8.356 -0.586 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.219 -8.046 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.252 -7.062 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.629 -8.547 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.991 -6.957 -2.237 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.009 -5.336 -1.158 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.609 -3.960 -0.924 1.00 0.00 C ATOM 1123 C ILE B 13 0.877 -3.971 -0.649 1.00 0.00 C ATOM 1124 O ILE B 13 1.621 -3.180 -1.196 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.396 -3.395 0.275 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.877 -3.436 -0.053 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.026 -1.938 0.544 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.714 -3.294 1.206 1.00 0.00 C ATOM 0 H ILE B 13 -1.743 -5.677 -0.537 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.822 -3.326 -1.785 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.157 -3.996 1.152 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.122 -2.634 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.118 -4.375 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.598 -1.569 1.395 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.039 -1.868 0.764 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.255 -1.336 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.772 -3.326 0.945 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.484 -4.111 1.890 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.488 -2.343 1.688 1.00 0.00 H new ATOM 1140 N GLY B 14 1.300 -4.936 0.153 1.00 0.00 N ATOM 1141 CA GLY B 14 2.712 -5.101 0.457 1.00 0.00 C ATOM 1142 C GLY B 14 3.510 -5.364 -0.813 1.00 0.00 C ATOM 1143 O GLY B 14 4.596 -4.821 -0.992 1.00 0.00 O ATOM 0 H GLY B 14 0.687 -5.615 0.604 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.090 -4.206 0.951 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.845 -5.929 1.154 1.00 0.00 H new ATOM 1147 N GLU B 15 2.961 -6.200 -1.693 1.00 0.00 N ATOM 1148 CA GLU B 15 3.629 -6.543 -2.934 1.00 0.00 C ATOM 1149 C GLU B 15 3.735 -5.326 -3.825 1.00 0.00 C ATOM 1150 O GLU B 15 4.785 -5.097 -4.415 1.00 0.00 O ATOM 1151 CB GLU B 15 2.870 -7.659 -3.645 1.00 0.00 C ATOM 1152 CG GLU B 15 3.800 -8.406 -4.626 1.00 0.00 C ATOM 1153 CD GLU B 15 3.537 -9.914 -4.557 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.405 -10.313 -4.772 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.475 -10.648 -4.298 1.00 0.00 O ATOM 0 H GLU B 15 2.054 -6.649 -1.564 1.00 0.00 H new ATOM 0 HA GLU B 15 4.636 -6.894 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.468 -8.358 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.021 -7.242 -4.186 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.634 -8.046 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.842 -8.199 -4.381 1.00 0.00 H new ATOM 1162 N ILE B 16 2.657 -4.533 -3.913 1.00 0.00 N ATOM 1163 CA ILE B 16 2.726 -3.330 -4.770 1.00 0.00 C ATOM 1164 C ILE B 16 3.888 -2.465 -4.292 1.00 0.00 C ATOM 1165 O ILE B 16 4.742 -2.032 -5.069 1.00 0.00 O ATOM 1166 CB ILE B 16 1.477 -2.403 -4.673 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.149 -3.161 -4.600 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.444 -1.475 -5.892 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.139 -3.858 -5.915 1.00 0.00 C ATOM 0 H ILE B 16 1.770 -4.685 -3.432 1.00 0.00 H new ATOM 0 HA ILE B 16 2.818 -3.702 -5.790 1.00 0.00 H new ATOM 0 HB ILE B 16 1.578 -1.846 -3.742 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.186 -3.894 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.659 -2.468 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.572 -0.824 -5.830 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.349 -0.868 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.387 -2.072 -6.802 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.087 -4.392 -5.844 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.198 -3.118 -6.714 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.660 -4.566 -6.134 1.00 0.00 H new ATOM 1181 N MET B 17 3.877 -2.226 -2.991 1.00 0.00 N ATOM 1182 CA MET B 17 4.879 -1.417 -2.316 1.00 0.00 C ATOM 1183 C MET B 17 6.275 -2.034 -2.455 1.00 0.00 C ATOM 1184 O MET B 17 7.266 -1.309 -2.555 1.00 0.00 O ATOM 1185 CB MET B 17 4.461 -1.280 -0.860 1.00 0.00 C ATOM 1186 CG MET B 17 3.026 -0.728 -0.809 1.00 0.00 C ATOM 1187 SD MET B 17 3.015 0.988 -1.331 1.00 0.00 S ATOM 1188 CE MET B 17 3.911 1.603 0.094 1.00 0.00 C ATOM 0 H MET B 17 3.161 -2.594 -2.365 1.00 0.00 H new ATOM 0 HA MET B 17 4.939 -0.429 -2.773 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.512 -2.247 -0.360 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.142 -0.612 -0.333 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.377 -1.318 -1.455 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.630 -0.812 0.203 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.277 2.290 0.654 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.194 0.767 0.734 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.808 2.126 -0.238 1.00 0.00 H new ATOM 1198 N ARG B 18 6.349 -3.372 -2.490 1.00 0.00 N ATOM 1199 CA ARG B 18 7.633 -4.057 -2.653 1.00 0.00 C ATOM 1200 C ARG B 18 8.215 -3.791 -4.037 1.00 0.00 C ATOM 1201 O ARG B 18 9.431 -3.667 -4.186 1.00 0.00 O ATOM 1202 CB ARG B 18 7.479 -5.561 -2.458 1.00 0.00 C ATOM 1203 CG ARG B 18 7.308 -5.890 -0.970 1.00 0.00 C ATOM 1204 CD ARG B 18 8.353 -6.914 -0.517 1.00 0.00 C ATOM 1205 NE ARG B 18 7.988 -8.249 -0.988 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.417 -9.342 -0.366 1.00 0.00 C ATOM 1207 NH1 ARG B 18 9.653 -9.730 -0.509 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.603 -10.028 0.384 1.00 0.00 N ATOM 0 H ARG B 18 5.544 -3.993 -2.408 1.00 0.00 H new ATOM 0 HA ARG B 18 8.310 -3.666 -1.894 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.616 -5.921 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.354 -6.077 -2.853 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.404 -4.980 -0.378 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.307 -6.282 -0.792 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.334 -6.639 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.428 -6.912 0.570 1.00 0.00 H new ATOM 0 HE ARG B 18 7.392 -8.343 -1.810 1.00 0.00 H new ATOM 0 HH11 ARG B 18 10.291 -9.195 -1.098 1.00 0.00 H new ATOM 0 HH12 ARG B 18 9.983 -10.569 -0.032 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.635 -9.726 0.495 1.00 0.00 H new ATOM 0 HH22 ARG B 18 7.934 -10.867 0.861 1.00 0.00 H new ATOM 1222 N LEU B 19 7.337 -3.706 -5.047 1.00 0.00 N ATOM 1223 CA LEU B 19 7.777 -3.457 -6.419 1.00 0.00 C ATOM 1224 C LEU B 19 8.524 -2.135 -6.499 1.00 0.00 C ATOM 1225 O LEU B 19 7.926 -1.079 -6.319 1.00 0.00 O ATOM 1226 CB LEU B 19 6.584 -3.400 -7.382 1.00 0.00 C ATOM 1227 CG LEU B 19 5.805 -4.720 -7.402 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.498 -4.528 -8.166 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.617 -5.798 -8.093 1.00 0.00 C ATOM 0 H LEU B 19 6.328 -3.806 -4.937 1.00 0.00 H new ATOM 0 HA LEU B 19 8.433 -4.279 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.918 -2.589 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.939 -3.172 -8.387 1.00 0.00 H new ATOM 0 HG LEU B 19 5.601 -5.021 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.944 -5.466 -8.180 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.899 -3.760 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.716 -4.220 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.052 -6.730 -8.100 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.828 -5.494 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.555 -5.946 -7.558 1.00 0.00 H new ATOM 1241 N PRO B 20 9.810 -2.164 -6.760 1.00 0.00 N ATOM 1242 CA PRO B 20 10.635 -0.934 -6.861 1.00 0.00 C ATOM 1243 C PRO B 20 10.498 -0.234 -8.217 1.00 0.00 C ATOM 1244 O PRO B 20 11.186 0.758 -8.469 1.00 0.00 O ATOM 1245 CB PRO B 20 12.074 -1.444 -6.659 1.00 0.00 C ATOM 1246 CG PRO B 20 11.995 -2.921 -6.455 1.00 0.00 C ATOM 1247 CD PRO B 20 10.643 -3.357 -6.986 1.00 0.00 C ATOM 0 HA PRO B 20 10.327 -0.186 -6.131 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.691 -1.208 -7.526 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.536 -0.961 -5.798 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.802 -3.429 -6.983 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.097 -3.173 -5.399 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.689 -3.625 -8.041 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.259 -4.227 -6.453 1.00 0.00 H new ATOM 1255 N ASN B 21 9.632 -0.760 -9.095 1.00 0.00 N ATOM 1256 CA ASN B 21 9.459 -0.175 -10.423 1.00 0.00 C ATOM 1257 C ASN B 21 8.146 0.601 -10.545 1.00 0.00 C ATOM 1258 O ASN B 21 7.991 1.404 -11.466 1.00 0.00 O ATOM 1259 CB ASN B 21 9.505 -1.288 -11.475 1.00 0.00 C ATOM 1260 CG ASN B 21 10.840 -2.032 -11.426 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.852 -1.484 -10.990 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.898 -3.263 -11.853 1.00 0.00 N ATOM 0 H ASN B 21 9.050 -1.577 -8.910 1.00 0.00 H new ATOM 0 HA ASN B 21 10.271 0.534 -10.586 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.687 -1.989 -11.305 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.358 -0.862 -12.467 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.782 -3.771 -11.825 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.059 -3.717 -12.214 1.00 0.00 H new ATOM 1269 N LEU B 22 7.198 0.364 -9.628 1.00 0.00 N ATOM 1270 CA LEU B 22 5.911 1.067 -9.688 1.00 0.00 C ATOM 1271 C LEU B 22 6.027 2.520 -9.241 1.00 0.00 C ATOM 1272 O LEU B 22 6.904 2.889 -8.459 1.00 0.00 O ATOM 1273 CB LEU B 22 4.842 0.369 -8.828 1.00 0.00 C ATOM 1274 CG LEU B 22 4.567 -1.050 -9.322 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.317 -1.605 -8.631 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.324 -1.013 -10.814 1.00 0.00 C ATOM 0 H LEU B 22 7.294 -0.293 -8.854 1.00 0.00 H new ATOM 0 HA LEU B 22 5.608 1.043 -10.735 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.173 0.337 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.919 0.949 -8.851 1.00 0.00 H new ATOM 0 HG LEU B 22 5.423 -1.685 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.124 -2.617 -8.986 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.475 -1.623 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.461 -0.970 -8.862 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.127 -2.022 -11.176 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.465 -0.377 -11.027 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.205 -0.613 -11.316 1.00 0.00 H new ATOM 1288 N ASN B 23 5.102 3.325 -9.753 1.00 0.00 N ATOM 1289 CA ASN B 23 5.025 4.742 -9.436 1.00 0.00 C ATOM 1290 C ASN B 23 4.186 4.920 -8.171 1.00 0.00 C ATOM 1291 O ASN B 23 3.359 4.065 -7.857 1.00 0.00 O ATOM 1292 CB ASN B 23 4.389 5.452 -10.654 1.00 0.00 C ATOM 1293 CG ASN B 23 3.440 6.579 -10.273 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.279 6.573 -10.666 1.00 0.00 O ATOM 1295 ND2 ASN B 23 3.872 7.557 -9.556 1.00 0.00 N ATOM 0 H ASN B 23 4.382 3.009 -10.403 1.00 0.00 H new ATOM 0 HA ASN B 23 6.007 5.174 -9.244 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.182 5.853 -11.285 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.847 4.718 -11.250 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.248 8.327 -9.315 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.838 7.562 -9.229 1.00 0.00 H new ATOM 1302 N SER B 24 4.386 6.028 -7.456 1.00 0.00 N ATOM 1303 CA SER B 24 3.620 6.276 -6.236 1.00 0.00 C ATOM 1304 C SER B 24 2.127 6.246 -6.554 1.00 0.00 C ATOM 1305 O SER B 24 1.343 5.621 -5.845 1.00 0.00 O ATOM 1306 CB SER B 24 4.003 7.638 -5.654 1.00 0.00 C ATOM 1307 OG SER B 24 3.674 8.661 -6.586 1.00 0.00 O ATOM 0 H SER B 24 5.060 6.756 -7.695 1.00 0.00 H new ATOM 0 HA SER B 24 3.845 5.501 -5.503 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.477 7.805 -4.714 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.070 7.663 -5.431 1.00 0.00 H new ATOM 0 HG SER B 24 4.447 9.250 -6.712 1.00 0.00 H new ATOM 1313 N LEU B 25 1.767 6.901 -7.655 1.00 0.00 N ATOM 1314 CA LEU B 25 0.391 6.941 -8.116 1.00 0.00 C ATOM 1315 C LEU B 25 -0.049 5.583 -8.651 1.00 0.00 C ATOM 1316 O LEU B 25 -1.198 5.188 -8.455 1.00 0.00 O ATOM 1317 CB LEU B 25 0.225 8.010 -9.206 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.724 9.095 -8.729 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.829 10.201 -9.786 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -2.092 8.471 -8.480 1.00 0.00 C ATOM 0 H LEU B 25 2.420 7.415 -8.246 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.240 7.196 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.194 8.445 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.160 7.554 -10.118 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.349 9.538 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.512 10.975 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.156 10.636 -9.957 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.206 9.779 -10.718 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.785 9.239 -8.137 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.466 8.032 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -2.005 7.695 -7.720 1.00 0.00 H new ATOM 1332 N GLN B 26 0.865 4.862 -9.316 1.00 0.00 N ATOM 1333 CA GLN B 26 0.536 3.548 -9.850 1.00 0.00 C ATOM 1334 C GLN B 26 0.221 2.606 -8.712 1.00 0.00 C ATOM 1335 O GLN B 26 -0.719 1.819 -8.777 1.00 0.00 O ATOM 1336 CB GLN B 26 1.719 2.976 -10.622 1.00 0.00 C ATOM 1337 CG GLN B 26 1.815 3.585 -12.023 1.00 0.00 C ATOM 1338 CD GLN B 26 3.010 2.985 -12.752 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.801 2.164 -12.117 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.231 3.270 -13.928 1.00 0.00 N flip ATOM 0 H GLN B 26 1.822 5.167 -9.491 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.322 3.652 -10.514 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.641 3.170 -10.075 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.616 1.894 -10.700 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.899 3.390 -12.580 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.922 4.668 -11.955 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.611 3.912 -14.422 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.034 2.864 -14.409 1.00 0.00 H new ATOM 1349 N VAL B 27 1.020 2.717 -7.663 1.00 0.00 N ATOM 1350 CA VAL B 27 0.842 1.892 -6.490 1.00 0.00 C ATOM 1351 C VAL B 27 -0.490 2.212 -5.863 1.00 0.00 C ATOM 1352 O VAL B 27 -1.264 1.314 -5.559 1.00 0.00 O ATOM 1353 CB VAL B 27 2.014 2.101 -5.527 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.740 1.411 -4.179 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.264 1.491 -6.178 1.00 0.00 C ATOM 0 H VAL B 27 1.799 3.373 -7.605 1.00 0.00 H new ATOM 0 HA VAL B 27 0.837 0.835 -6.758 1.00 0.00 H new ATOM 0 HB VAL B 27 2.154 3.165 -5.335 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.585 1.572 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.838 1.830 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.602 0.342 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.120 1.623 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.101 0.428 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.459 1.989 -7.128 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.778 3.498 -5.747 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.051 3.931 -5.232 1.00 0.00 C ATOM 1367 C VAL B 28 -3.152 3.400 -6.156 1.00 0.00 C ATOM 1368 O VAL B 28 -4.234 3.050 -5.704 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.106 5.464 -5.162 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.477 5.886 -4.632 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.997 5.991 -4.229 1.00 0.00 C ATOM 0 H VAL B 28 -0.143 4.254 -6.004 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.194 3.544 -4.223 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.951 5.882 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.527 6.974 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.255 5.520 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.628 5.466 -3.637 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.044 7.079 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.138 5.582 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.023 5.685 -4.612 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.845 3.329 -7.455 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.791 2.829 -8.444 1.00 0.00 C ATOM 1383 C ALA B 29 -4.179 1.404 -8.096 1.00 0.00 C ATOM 1384 O ALA B 29 -5.358 1.041 -8.127 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.147 2.857 -9.840 1.00 0.00 C ATOM 0 H ALA B 29 -1.945 3.613 -7.842 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.679 3.461 -8.444 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.858 2.482 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.869 3.880 -10.092 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.257 2.228 -9.843 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.170 0.606 -7.751 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.389 -0.760 -7.391 1.00 0.00 C ATOM 1393 C PHE B 30 -4.036 -0.848 -6.008 1.00 0.00 C ATOM 1394 O PHE B 30 -5.007 -1.572 -5.832 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.046 -1.500 -7.452 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.523 -1.471 -8.887 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.292 -1.986 -9.957 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.274 -0.883 -9.163 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.811 -1.901 -11.262 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.196 -0.813 -10.471 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.573 -1.319 -11.520 1.00 0.00 C ATOM 0 H PHE B 30 -2.194 0.901 -7.719 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.079 -1.234 -8.089 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.327 -1.030 -6.780 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.169 -2.530 -7.117 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.250 -2.444 -9.763 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.322 -0.484 -8.356 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.402 -2.289 -12.078 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.158 -0.366 -10.675 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.207 -1.259 -12.534 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.524 -0.074 -5.040 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.087 -0.078 -3.684 1.00 0.00 C ATOM 1413 C ILE B 31 -5.567 0.304 -3.731 1.00 0.00 C ATOM 1414 O ILE B 31 -6.418 -0.375 -3.156 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.323 0.917 -2.793 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.853 0.486 -2.648 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.957 0.964 -1.397 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.050 1.636 -2.030 1.00 0.00 C ATOM 0 H ILE B 31 -2.731 0.555 -5.169 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.989 -1.080 -3.266 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.373 1.901 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.782 -0.402 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.441 0.221 -3.622 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.410 1.671 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.996 1.282 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.916 -0.027 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.007 1.336 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.112 2.512 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.458 1.879 -1.049 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.858 1.386 -4.438 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.226 1.866 -4.590 1.00 0.00 C ATOM 1432 C ASN B 32 -8.110 0.809 -5.261 1.00 0.00 C ATOM 1433 O ASN B 32 -9.314 0.755 -5.011 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.230 3.147 -5.432 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.528 3.931 -5.248 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.475 3.458 -4.617 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.619 5.121 -5.763 1.00 0.00 N ATOM 0 H ASN B 32 -5.160 1.953 -4.919 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.629 2.072 -3.598 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.383 3.772 -5.150 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -7.103 2.893 -6.484 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.474 5.664 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.835 5.512 -6.285 1.00 0.00 H new ATOM 1444 N SER B 33 -7.509 -0.036 -6.111 1.00 0.00 N ATOM 1445 CA SER B 33 -8.257 -1.069 -6.789 1.00 0.00 C ATOM 1446 C SER B 33 -8.542 -2.208 -5.825 1.00 0.00 C ATOM 1447 O SER B 33 -9.572 -2.866 -5.936 1.00 0.00 O ATOM 1448 CB SER B 33 -7.518 -1.523 -8.032 1.00 0.00 C ATOM 1449 OG SER B 33 -7.837 -0.653 -9.110 1.00 0.00 O ATOM 0 H SER B 33 -6.514 -0.014 -6.335 1.00 0.00 H new ATOM 0 HA SER B 33 -9.218 -0.677 -7.122 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.443 -1.519 -7.852 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.796 -2.547 -8.281 1.00 0.00 H new ATOM 0 HG SER B 33 -7.211 0.101 -9.118 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.653 -2.407 -4.837 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.897 -3.437 -3.827 1.00 0.00 C ATOM 1457 C LEU B 34 -9.160 -3.006 -3.098 1.00 0.00 C ATOM 1458 O LEU B 34 -10.069 -3.797 -2.853 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.744 -3.548 -2.821 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.383 -3.444 -3.521 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.272 -3.743 -2.540 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.290 -4.428 -4.658 1.00 0.00 C ATOM 0 H LEU B 34 -6.786 -1.883 -4.721 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.991 -4.414 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.833 -2.759 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.811 -4.498 -2.291 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.283 -2.430 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.310 -3.667 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.308 -3.026 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.396 -4.752 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.317 -4.336 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.411 -5.441 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.075 -4.220 -5.385 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.205 -1.698 -2.818 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.368 -1.070 -2.186 1.00 0.00 C ATOM 1476 C ARG B 35 -11.606 -1.346 -3.040 1.00 0.00 C ATOM 1477 O ARG B 35 -12.657 -1.736 -2.530 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.140 0.454 -2.129 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.116 0.972 -0.682 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.807 1.723 -0.420 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.563 1.826 1.013 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.340 2.571 1.790 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.447 2.078 2.266 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -8.995 3.795 2.077 1.00 0.00 N ATOM 0 H ARG B 35 -8.443 -1.051 -3.022 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.507 -1.470 -1.182 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.198 0.699 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.929 0.961 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.966 1.633 -0.509 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.213 0.139 0.014 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.979 1.203 -0.901 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.856 2.719 -0.860 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.782 1.317 1.426 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.717 1.120 2.042 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.045 2.650 2.863 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.127 4.181 1.704 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.593 4.367 2.674 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.445 -1.143 -4.350 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.517 -1.367 -5.315 1.00 0.00 C ATOM 1500 C ASP B 36 -12.915 -2.843 -5.356 1.00 0.00 C ATOM 1501 O ASP B 36 -14.095 -3.175 -5.479 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.048 -0.920 -6.708 1.00 0.00 C ATOM 1503 CG ASP B 36 -13.185 -1.067 -7.721 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -13.986 -0.154 -7.822 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -13.238 -2.097 -8.376 1.00 0.00 O ATOM 0 H ASP B 36 -10.572 -0.820 -4.767 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.387 -0.786 -5.011 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.715 0.117 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -11.193 -1.519 -7.021 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.911 -3.714 -5.263 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.133 -5.157 -5.305 1.00 0.00 C ATOM 1512 C ASP B 37 -11.031 -5.895 -4.556 1.00 0.00 C ATOM 1513 O ASP B 37 -9.960 -6.168 -5.108 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.186 -5.639 -6.763 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.635 -5.825 -7.207 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.178 -6.889 -6.953 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.179 -4.905 -7.795 1.00 0.00 O ATOM 0 H ASP B 37 -10.933 -3.443 -5.158 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.085 -5.372 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.690 -4.916 -7.411 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.644 -6.580 -6.862 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.281 -6.231 -3.314 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.305 -6.969 -2.479 1.00 0.00 C ATOM 1524 C PRO B 38 -10.158 -8.416 -2.939 1.00 0.00 C ATOM 1525 O PRO B 38 -9.121 -9.045 -2.723 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.869 -6.896 -1.059 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.137 -6.104 -1.117 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.523 -5.950 -2.580 1.00 0.00 C ATOM 0 HA PRO B 38 -9.306 -6.537 -2.547 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.060 -7.896 -0.671 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.153 -6.424 -0.386 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.929 -6.610 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.999 -5.127 -0.654 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.315 -6.645 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.891 -4.946 -2.791 1.00 0.00 H new ATOM 1536 N SER B 39 -11.205 -8.925 -3.595 1.00 0.00 N ATOM 1537 CA SER B 39 -11.193 -10.286 -4.112 1.00 0.00 C ATOM 1538 C SER B 39 -10.143 -10.391 -5.200 1.00 0.00 C ATOM 1539 O SER B 39 -9.383 -11.360 -5.257 1.00 0.00 O ATOM 1540 CB SER B 39 -12.569 -10.645 -4.680 1.00 0.00 C ATOM 1541 OG SER B 39 -12.587 -12.022 -5.035 1.00 0.00 O ATOM 0 H SER B 39 -12.067 -8.412 -3.778 1.00 0.00 H new ATOM 0 HA SER B 39 -10.958 -10.980 -3.305 1.00 0.00 H new ATOM 0 HB2 SER B 39 -13.345 -10.438 -3.943 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.786 -10.030 -5.553 1.00 0.00 H new ATOM 0 HG SER B 39 -12.236 -12.130 -5.944 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.104 -9.364 -6.053 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.143 -9.312 -7.135 1.00 0.00 C ATOM 1549 C GLN B 40 -7.964 -8.444 -6.744 1.00 0.00 C ATOM 1550 O GLN B 40 -7.254 -7.939 -7.607 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.772 -8.798 -8.445 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.309 -8.891 -8.409 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.769 -10.339 -8.580 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.292 -11.236 -7.883 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.679 -10.620 -9.470 1.00 0.00 N ATOM 0 H GLN B 40 -10.731 -8.561 -6.007 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.799 -10.330 -7.317 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.473 -7.763 -8.612 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.391 -9.379 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.680 -8.496 -7.463 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.734 -8.274 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.074 -9.878 -10.047 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.996 -11.582 -9.589 1.00 0.00 H new ATOM 1564 N SER B 41 -7.738 -8.281 -5.434 1.00 0.00 N ATOM 1565 CA SER B 41 -6.616 -7.486 -4.976 1.00 0.00 C ATOM 1566 C SER B 41 -5.335 -8.024 -5.597 1.00 0.00 C ATOM 1567 O SER B 41 -4.402 -7.284 -5.895 1.00 0.00 O ATOM 1568 CB SER B 41 -6.530 -7.569 -3.446 1.00 0.00 C ATOM 1569 OG SER B 41 -5.313 -6.994 -2.988 1.00 0.00 O ATOM 0 H SER B 41 -8.311 -8.685 -4.693 1.00 0.00 H new ATOM 0 HA SER B 41 -6.751 -6.446 -5.273 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.377 -7.049 -2.999 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.591 -8.610 -3.128 1.00 0.00 H new ATOM 0 HG SER B 41 -5.503 -6.353 -2.271 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.346 -9.329 -5.798 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.245 -10.053 -6.406 1.00 0.00 C ATOM 1577 C ALA B 42 -4.175 -9.785 -7.913 1.00 0.00 C ATOM 1578 O ALA B 42 -3.117 -9.917 -8.522 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.467 -11.545 -6.178 1.00 0.00 C ATOM 0 H ALA B 42 -6.132 -9.925 -5.539 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.310 -9.722 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.649 -12.108 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.501 -11.748 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.409 -11.847 -6.635 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.332 -9.449 -8.497 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.461 -9.203 -9.931 1.00 0.00 C ATOM 1587 C ASN B 43 -4.783 -7.922 -10.365 1.00 0.00 C ATOM 1588 O ASN B 43 -3.963 -7.923 -11.277 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.924 -9.101 -10.267 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.135 -9.141 -11.779 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.397 -8.109 -12.397 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -7.034 -10.275 -12.413 1.00 0.00 N ATOM 0 H ASN B 43 -6.206 -9.341 -7.982 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.978 -10.029 -10.453 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.468 -9.920 -9.797 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.331 -8.174 -9.862 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.172 -10.309 -13.423 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.817 -11.129 -11.899 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.129 -6.826 -9.706 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.530 -5.568 -10.031 1.00 0.00 C ATOM 1601 C LEU B 44 -3.116 -5.582 -9.476 1.00 0.00 C ATOM 1602 O LEU B 44 -2.213 -4.966 -10.017 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.414 -4.369 -9.615 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.553 -4.163 -8.115 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.452 -5.229 -7.513 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.207 -4.116 -7.420 1.00 0.00 C ATOM 0 H LEU B 44 -5.816 -6.795 -8.952 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.456 -5.426 -11.109 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.999 -3.462 -10.054 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.408 -4.504 -10.042 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.020 -3.191 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.540 -5.066 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.440 -5.173 -7.971 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.022 -6.214 -7.697 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.355 -3.967 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.679 -5.055 -7.586 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.618 -3.292 -7.823 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.920 -6.376 -8.423 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.596 -6.564 -7.875 1.00 0.00 C ATOM 1620 C LEU B 45 -0.807 -7.240 -8.976 1.00 0.00 C ATOM 1621 O LEU B 45 0.367 -6.965 -9.211 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.660 -7.464 -6.635 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.342 -8.229 -6.447 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.800 -7.237 -6.243 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.451 -9.167 -5.236 1.00 0.00 C ATOM 0 H LEU B 45 -3.659 -6.890 -7.944 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.141 -5.623 -7.565 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.864 -6.859 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.484 -8.170 -6.735 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.141 -8.826 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.735 -7.781 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.879 -6.588 -7.115 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.603 -6.632 -5.358 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.487 -9.707 -5.108 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.658 -8.582 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.260 -9.879 -5.399 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.525 -8.101 -9.684 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.963 -8.807 -10.813 1.00 0.00 C ATOM 1639 C ALA B 46 -0.572 -7.761 -11.844 1.00 0.00 C ATOM 1640 O ALA B 46 0.525 -7.788 -12.398 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.998 -9.781 -11.401 1.00 0.00 C ATOM 0 H ALA B 46 -2.501 -8.324 -9.490 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.095 -9.393 -10.511 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.562 -10.306 -12.251 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.291 -10.504 -10.639 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.875 -9.224 -11.730 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.481 -6.802 -12.034 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.259 -5.689 -12.936 1.00 0.00 C ATOM 1649 C GLU B 47 -0.060 -4.878 -12.455 1.00 0.00 C ATOM 1650 O GLU B 47 0.672 -4.302 -13.252 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.489 -4.762 -12.968 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.717 -5.465 -13.536 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.445 -6.036 -14.930 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.969 -5.297 -15.777 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.719 -7.207 -15.128 1.00 0.00 O ATOM 0 H GLU B 47 -2.386 -6.782 -11.565 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.079 -6.087 -13.934 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.706 -4.412 -11.959 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.264 -3.881 -13.570 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.019 -6.269 -12.865 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.549 -4.762 -13.586 1.00 0.00 H new ATOM 1662 N ALA B 48 0.101 -4.823 -11.131 1.00 0.00 N ATOM 1663 CA ALA B 48 1.170 -4.071 -10.504 1.00 0.00 C ATOM 1664 C ALA B 48 2.513 -4.716 -10.722 1.00 0.00 C ATOM 1665 O ALA B 48 3.459 -4.064 -11.122 1.00 0.00 O ATOM 1666 CB ALA B 48 0.909 -4.054 -9.010 1.00 0.00 C ATOM 0 H ALA B 48 -0.511 -5.302 -10.470 1.00 0.00 H new ATOM 0 HA ALA B 48 1.189 -3.072 -10.939 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.699 -3.494 -8.509 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.053 -3.580 -8.814 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.893 -5.076 -8.632 1.00 0.00 H new ATOM 1672 N LYS B 49 2.573 -6.007 -10.472 1.00 0.00 N ATOM 1673 CA LYS B 49 3.798 -6.751 -10.662 1.00 0.00 C ATOM 1674 C LYS B 49 4.149 -6.702 -12.144 1.00 0.00 C ATOM 1675 O LYS B 49 5.317 -6.611 -12.518 1.00 0.00 O ATOM 1676 CB LYS B 49 3.593 -8.173 -10.141 1.00 0.00 C ATOM 1677 CG LYS B 49 3.564 -8.179 -8.610 1.00 0.00 C ATOM 1678 CD LYS B 49 3.476 -9.629 -8.110 1.00 0.00 C ATOM 1679 CE LYS B 49 2.109 -10.231 -8.472 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.599 -11.039 -7.329 1.00 0.00 N ATOM 0 H LYS B 49 1.786 -6.563 -10.136 1.00 0.00 H new ATOM 0 HA LYS B 49 4.633 -6.324 -10.106 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.660 -8.579 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.396 -8.818 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.460 -7.700 -8.216 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.711 -7.605 -8.249 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.273 -10.224 -8.555 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.621 -9.659 -7.030 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.403 -9.436 -8.712 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.200 -10.856 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.560 -10.991 -7.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.898 -12.029 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.983 -10.662 -6.439 1.00 0.00 H new ATOM 1694 N LYS B 50 3.102 -6.686 -12.973 1.00 0.00 N ATOM 1695 CA LYS B 50 3.261 -6.556 -14.417 1.00 0.00 C ATOM 1696 C LYS B 50 3.705 -5.144 -14.768 1.00 0.00 C ATOM 1697 O LYS B 50 4.520 -4.954 -15.661 1.00 0.00 O ATOM 1698 CB LYS B 50 1.959 -6.869 -15.141 1.00 0.00 C ATOM 1699 CG LYS B 50 1.735 -8.391 -15.183 1.00 0.00 C ATOM 1700 CD LYS B 50 0.601 -8.730 -16.161 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.740 -8.217 -15.623 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.851 -8.859 -16.379 1.00 0.00 N ATOM 0 H LYS B 50 2.133 -6.762 -12.664 1.00 0.00 H new ATOM 0 HA LYS B 50 4.019 -7.270 -14.737 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.125 -6.384 -14.634 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.991 -6.469 -16.155 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.653 -8.893 -15.490 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.488 -8.758 -14.187 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.805 -8.282 -17.134 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.551 -9.809 -16.311 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.829 -8.443 -14.560 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.795 -7.133 -15.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.755 -8.428 -16.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.702 -8.722 -17.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.873 -9.877 -16.166 1.00 0.00 H new ATOM 1716 N LEU B 51 3.164 -4.154 -14.054 1.00 0.00 N ATOM 1717 CA LEU B 51 3.535 -2.761 -14.297 1.00 0.00 C ATOM 1718 C LEU B 51 4.956 -2.559 -13.863 1.00 0.00 C ATOM 1719 O LEU B 51 5.752 -1.905 -14.536 1.00 0.00 O ATOM 1720 CB LEU B 51 2.617 -1.808 -13.524 1.00 0.00 C ATOM 1721 CG LEU B 51 1.710 -1.070 -14.502 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.561 -0.085 -15.321 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.001 -2.084 -15.423 1.00 0.00 C ATOM 0 H LEU B 51 2.477 -4.289 -13.313 1.00 0.00 H new ATOM 0 HA LEU B 51 3.430 -2.544 -15.360 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.017 -2.367 -12.806 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.213 -1.094 -12.955 1.00 0.00 H new ATOM 0 HG LEU B 51 0.945 -0.514 -13.960 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.923 0.449 -16.025 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.038 0.629 -14.650 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.326 -0.634 -15.870 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.354 -1.552 -16.120 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.746 -2.652 -15.981 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.402 -2.766 -14.820 1.00 0.00 H new ATOM 1735 N ASN B 52 5.265 -3.191 -12.754 1.00 0.00 N ATOM 1736 CA ASN B 52 6.594 -3.174 -12.215 1.00 0.00 C ATOM 1737 C ASN B 52 7.496 -3.768 -13.263 1.00 0.00 C ATOM 1738 O ASN B 52 8.565 -3.249 -13.575 1.00 0.00 O ATOM 1739 CB ASN B 52 6.599 -4.030 -10.955 1.00 0.00 C ATOM 1740 CG ASN B 52 7.980 -4.592 -10.677 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.747 -3.959 -9.867 1.00 0.00 O flip ATOM 1742 ND2 ASN B 52 8.357 -5.636 -11.207 1.00 0.00 N flip ATOM 0 H ASN B 52 4.597 -3.730 -12.204 1.00 0.00 H new ATOM 0 HA ASN B 52 6.930 -2.169 -11.961 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.269 -3.432 -10.105 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.887 -4.848 -11.065 1.00 0.00 H new ATOM 0 HD21 ASN B 52 7.741 -6.133 -11.850 1.00 0.00 H new ATOM 0 HD22 ASN B 52 9.286 -6.005 -11.004 1.00 0.00 H new ATOM 1749 N ASP B 53 6.992 -4.855 -13.821 1.00 0.00 N ATOM 1750 CA ASP B 53 7.689 -5.558 -14.888 1.00 0.00 C ATOM 1751 C ASP B 53 7.770 -4.663 -16.123 1.00 0.00 C ATOM 1752 O ASP B 53 8.758 -4.681 -16.859 1.00 0.00 O ATOM 1753 CB ASP B 53 6.956 -6.856 -15.245 1.00 0.00 C ATOM 1754 CG ASP B 53 7.824 -7.709 -16.170 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.658 -8.440 -15.661 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.646 -7.615 -17.374 1.00 0.00 O ATOM 0 H ASP B 53 6.101 -5.272 -13.553 1.00 0.00 H new ATOM 0 HA ASP B 53 8.694 -5.805 -14.545 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.722 -7.412 -14.337 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.008 -6.626 -15.732 1.00 0.00 H new ATOM 1761 N ALA B 54 6.705 -3.884 -16.333 1.00 0.00 N ATOM 1762 CA ALA B 54 6.619 -2.975 -17.468 1.00 0.00 C ATOM 1763 C ALA B 54 7.681 -1.886 -17.361 1.00 0.00 C ATOM 1764 O ALA B 54 8.289 -1.500 -18.361 1.00 0.00 O ATOM 1765 CB ALA B 54 5.225 -2.348 -17.507 1.00 0.00 C ATOM 0 H ALA B 54 5.887 -3.869 -15.724 1.00 0.00 H new ATOM 0 HA ALA B 54 6.793 -3.533 -18.388 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.156 -1.667 -18.355 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.476 -3.133 -17.610 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.048 -1.797 -16.583 1.00 0.00 H new ATOM 1771 N GLN B 55 7.902 -1.406 -16.136 1.00 0.00 N ATOM 1772 CA GLN B 55 8.898 -0.370 -15.889 1.00 0.00 C ATOM 1773 C GLN B 55 10.255 -0.979 -15.537 1.00 0.00 C ATOM 1774 O GLN B 55 11.239 -0.257 -15.356 1.00 0.00 O ATOM 1775 CB GLN B 55 8.422 0.504 -14.749 1.00 0.00 C ATOM 1776 CG GLN B 55 7.140 1.232 -15.151 1.00 0.00 C ATOM 1777 CD GLN B 55 6.295 1.474 -13.916 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.875 0.448 -13.230 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.018 2.618 -13.558 1.00 0.00 N flip ATOM 0 H GLN B 55 7.404 -1.719 -15.303 1.00 0.00 H new ATOM 0 HA GLN B 55 9.020 0.222 -16.796 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.242 -0.105 -13.863 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.194 1.227 -14.487 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.382 2.180 -15.632 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.583 0.639 -15.877 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.350 3.416 -14.099 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.457 2.768 -12.720 1.00 0.00 H new ATOM 1788 N ALA B 56 10.300 -2.310 -15.437 1.00 0.00 N ATOM 1789 CA ALA B 56 11.541 -3.010 -15.099 1.00 0.00 C ATOM 1790 C ALA B 56 12.578 -2.858 -16.199 1.00 0.00 C ATOM 1791 O ALA B 56 12.254 -2.466 -17.323 1.00 0.00 O ATOM 1792 CB ALA B 56 11.280 -4.498 -14.869 1.00 0.00 C ATOM 0 H ALA B 56 9.497 -2.921 -15.584 1.00 0.00 H new ATOM 0 HA ALA B 56 11.923 -2.559 -14.183 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.216 -4.997 -14.619 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.573 -4.621 -14.048 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.864 -4.939 -15.775 1.00 0.00 H new