USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 464 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 TYR OH : rot -48:sc= 0.663 USER MOD Set 1.2: A 48 HIS : no HE2:sc= -13.7! C(o=-17!,f=-17!) USER MOD Set 1.3: A 58 HIS :FLIP no HE2:sc= -3.55! F(o=-20,f=-17!) USER MOD Single : A 6 ASN :FLIP amide:sc= -5.04! C(o=-6.7!,f=-5!) USER MOD Single : A 16 GLN : amide:sc= -0.0536 K(o=-0.054,f=-0.77) USER MOD Single : A 20 SER OG : rot -84:sc= 1.21 USER MOD Single : A 33 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.036) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -8.16! C(o=-8.2!,f=-13!) USER MOD Single : A 40 HIS : no HE2:sc= -0.525 K(o=-0.52,f=-1.1) USER MOD Single : A 41 TYR OH : rot 30:sc= -0.368 USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -1.11! (180deg=-2.86!) USER MOD Single : A 45 HIS : no HD1:sc= -1.83! C(o=-1.8!,f=-1.4!) USER MOD Single : A 46 LYS NZ :NH3+ -118:sc= 0.12 (180deg=-0.17) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 72:sc= 1.19 USER MOD Single : A 60 THR OG1 : rot -159:sc= -0.597 USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= -0.654 (180deg=-1.37) USER MOD Single : A 64 SER OG : rot 180:sc= 0.117 USER MOD Single : A 70 THR OG1 : rot -120:sc= -1.89 USER MOD Single : A 74 GLN : amide:sc= -0.444 K(o=-0.44,f=-1.3) USER MOD Single : A 75 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.3!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 4 0.107 8.563 -13.444 1.00 0.00 N ATOM 2 CA PHE A 4 0.852 7.780 -12.422 1.00 0.00 C ATOM 3 C PHE A 4 0.467 8.198 -11.004 1.00 0.00 C ATOM 4 O PHE A 4 -0.356 9.091 -10.809 1.00 0.00 O ATOM 5 CB PHE A 4 2.353 7.967 -12.658 1.00 0.00 C ATOM 6 CG PHE A 4 2.945 6.944 -13.594 1.00 0.00 C ATOM 7 CD1 PHE A 4 2.595 5.606 -13.490 1.00 0.00 C ATOM 8 CD2 PHE A 4 3.851 7.318 -14.574 1.00 0.00 C ATOM 9 CE1 PHE A 4 3.135 4.664 -14.343 1.00 0.00 C ATOM 10 CE2 PHE A 4 4.393 6.380 -15.431 1.00 0.00 C ATOM 11 CZ PHE A 4 4.036 5.051 -15.316 1.00 0.00 C ATOM 0 HA PHE A 4 0.592 6.726 -12.521 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.528 8.964 -13.064 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.873 7.917 -11.701 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.891 5.297 -12.732 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.137 8.355 -14.669 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.853 3.626 -14.250 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.096 6.686 -16.191 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.460 4.316 -15.985 1.00 0.00 H new ATOM 21 N VAL A 5 1.063 7.522 -10.029 1.00 0.00 N ATOM 22 CA VAL A 5 0.809 7.764 -8.610 1.00 0.00 C ATOM 23 C VAL A 5 -0.687 7.743 -8.280 1.00 0.00 C ATOM 24 O VAL A 5 -1.457 8.574 -8.760 1.00 0.00 O ATOM 25 CB VAL A 5 1.454 9.076 -8.097 1.00 0.00 C ATOM 26 CG1 VAL A 5 2.744 9.365 -8.850 1.00 0.00 C ATOM 27 CG2 VAL A 5 0.487 10.253 -8.175 1.00 0.00 C ATOM 0 H VAL A 5 1.744 6.782 -10.201 1.00 0.00 H new ATOM 0 HA VAL A 5 1.287 6.937 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 5 1.697 8.938 -7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.184 10.290 -8.477 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.445 8.544 -8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.529 9.469 -9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.979 11.153 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.182 10.405 -9.210 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.391 10.043 -7.565 1.00 0.00 H new ATOM 31 N ASN A 6 -1.087 6.782 -7.453 1.00 0.00 N ATOM 32 CA ASN A 6 -2.484 6.653 -7.050 1.00 0.00 C ATOM 33 C ASN A 6 -2.597 5.994 -5.671 1.00 0.00 C ATOM 34 O ASN A 6 -2.492 6.671 -4.648 1.00 0.00 O ATOM 35 CB ASN A 6 -3.272 5.859 -8.099 1.00 0.00 C ATOM 36 CG ASN A 6 -4.038 6.756 -9.053 1.00 0.00 C ATOM 37 OD1 ASN A 6 -3.331 7.352 -10.006 1.00 0.00 O flip ATOM 38 ND2 ASN A 6 -5.254 6.910 -8.934 1.00 0.00 N flip ATOM 0 H ASN A 6 -0.465 6.082 -7.049 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.914 7.652 -6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.585 5.233 -8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -3.970 5.190 -7.595 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.758 6.432 -8.187 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -5.757 7.515 -9.583 1.00 0.00 H new ATOM 43 N GLU A 7 -2.810 4.678 -5.642 1.00 0.00 N ATOM 44 CA GLU A 7 -2.931 3.952 -4.382 1.00 0.00 C ATOM 45 C GLU A 7 -2.471 2.507 -4.540 1.00 0.00 C ATOM 46 O GLU A 7 -2.365 1.999 -5.655 1.00 0.00 O ATOM 47 CB GLU A 7 -4.380 3.986 -3.887 1.00 0.00 C ATOM 48 CG GLU A 7 -5.394 3.598 -4.950 1.00 0.00 C ATOM 49 CD GLU A 7 -6.494 4.629 -5.110 1.00 0.00 C ATOM 50 OE1 GLU A 7 -6.173 5.835 -5.166 1.00 0.00 O ATOM 51 OE2 GLU A 7 -7.676 4.231 -5.179 1.00 0.00 O ATOM 0 H GLU A 7 -2.902 4.097 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.291 4.440 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.481 3.311 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.609 4.989 -3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.883 3.466 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.837 2.637 -4.691 1.00 0.00 H new ATOM 58 N TRP A 8 -2.213 1.844 -3.417 1.00 0.00 N ATOM 59 CA TRP A 8 -1.780 0.452 -3.439 1.00 0.00 C ATOM 60 C TRP A 8 -2.909 -0.469 -2.989 1.00 0.00 C ATOM 61 O TRP A 8 -3.231 -0.523 -1.809 1.00 0.00 O ATOM 62 CB TRP A 8 -0.557 0.244 -2.540 1.00 0.00 C ATOM 63 CG TRP A 8 -0.297 -1.204 -2.250 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.272 -2.117 -3.087 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.619 -1.907 -1.047 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.315 -3.348 -2.482 1.00 0.00 N ATOM 67 CE2 TRP A 8 -0.221 -3.245 -1.224 1.00 0.00 C ATOM 68 CE3 TRP A 8 -1.203 -1.533 0.164 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.392 -4.209 -0.231 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.371 -2.491 1.146 1.00 0.00 C ATOM 71 CH2 TRP A 8 -0.967 -3.814 0.943 1.00 0.00 C ATOM 0 H TRP A 8 -2.296 2.247 -2.484 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.507 0.206 -4.465 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.320 0.678 -3.019 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.705 0.778 -1.602 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.636 -1.903 -4.081 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.686 -4.201 -2.900 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.518 -0.514 0.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.081 -5.232 -0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.822 -2.213 2.087 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.113 -4.538 1.731 1.00 0.00 H new ATOM 82 N ALA A 9 -3.496 -1.204 -3.927 1.00 0.00 N ATOM 83 CA ALA A 9 -4.577 -2.130 -3.600 1.00 0.00 C ATOM 84 C ALA A 9 -4.050 -3.556 -3.489 1.00 0.00 C ATOM 85 O ALA A 9 -3.310 -4.021 -4.357 1.00 0.00 O ATOM 86 CB ALA A 9 -5.677 -2.057 -4.645 1.00 0.00 C ATOM 0 H ALA A 9 -3.244 -1.178 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.993 -1.839 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.473 -2.754 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.078 -1.044 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.270 -2.320 -5.621 1.00 0.00 H new ATOM 92 N ALA A 10 -4.429 -4.247 -2.421 1.00 0.00 N ATOM 93 CA ALA A 10 -3.981 -5.618 -2.212 1.00 0.00 C ATOM 94 C ALA A 10 -5.001 -6.436 -1.426 1.00 0.00 C ATOM 95 O ALA A 10 -5.820 -5.890 -0.691 1.00 0.00 O ATOM 96 CB ALA A 10 -2.639 -5.624 -1.496 1.00 0.00 C ATOM 0 H ALA A 10 -5.041 -3.884 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.872 -6.084 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.312 -6.653 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.902 -5.095 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.740 -5.129 -0.530 1.00 0.00 H new ATOM 102 N GLU A 11 -4.925 -7.755 -1.583 1.00 0.00 N ATOM 103 CA GLU A 11 -5.816 -8.681 -0.887 1.00 0.00 C ATOM 104 C GLU A 11 -5.007 -9.531 0.079 1.00 0.00 C ATOM 105 O GLU A 11 -4.067 -10.219 -0.325 1.00 0.00 O ATOM 106 CB GLU A 11 -6.528 -9.579 -1.890 1.00 0.00 C ATOM 107 CG GLU A 11 -8.036 -9.618 -1.718 1.00 0.00 C ATOM 108 CD GLU A 11 -8.775 -9.505 -3.038 1.00 0.00 C ATOM 109 OE1 GLU A 11 -8.808 -8.393 -3.606 1.00 0.00 O ATOM 110 OE2 GLU A 11 -9.322 -10.527 -3.501 1.00 0.00 O ATOM 0 H GLU A 11 -4.247 -8.211 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.563 -8.111 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.296 -9.237 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.135 -10.592 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.318 -10.549 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.345 -8.804 -1.062 1.00 0.00 H new ATOM 117 N ILE A 12 -5.350 -9.470 1.356 1.00 0.00 N ATOM 118 CA ILE A 12 -4.618 -10.229 2.357 1.00 0.00 C ATOM 119 C ILE A 12 -5.493 -10.615 3.555 1.00 0.00 C ATOM 120 O ILE A 12 -5.941 -9.759 4.312 1.00 0.00 O ATOM 121 CB ILE A 12 -3.350 -9.451 2.823 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.289 -9.281 4.355 1.00 0.00 C ATOM 123 CG2 ILE A 12 -3.261 -8.095 2.131 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.105 -8.115 4.884 1.00 0.00 C ATOM 0 H ILE A 12 -6.121 -8.910 1.721 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.303 -11.159 1.883 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.489 -10.053 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.640 -10.199 4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.249 -9.148 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.368 -7.570 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.207 -8.240 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.144 -7.504 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.008 -8.066 5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.740 -7.187 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.153 -8.255 4.619 1.00 0.00 H new ATOM 128 N PRO A 13 -5.752 -11.922 3.743 1.00 0.00 N ATOM 129 CA PRO A 13 -6.563 -12.418 4.863 1.00 0.00 C ATOM 130 C PRO A 13 -5.891 -12.175 6.217 1.00 0.00 C ATOM 131 O PRO A 13 -5.607 -13.119 6.955 1.00 0.00 O ATOM 132 CB PRO A 13 -6.662 -13.925 4.600 1.00 0.00 C ATOM 133 CG PRO A 13 -6.276 -14.105 3.173 1.00 0.00 C ATOM 134 CD PRO A 13 -5.289 -13.016 2.880 1.00 0.00 C ATOM 0 HA PRO A 13 -7.527 -11.912 4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.998 -14.483 5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.673 -14.290 4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.835 -15.088 3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.146 -14.032 2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.270 -13.318 3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.298 -12.733 1.827 1.00 0.00 H new ATOM 142 N GLY A 14 -5.636 -10.911 6.541 1.00 0.00 N ATOM 143 CA GLY A 14 -4.998 -10.592 7.804 1.00 0.00 C ATOM 144 C GLY A 14 -4.358 -9.218 7.808 1.00 0.00 C ATOM 145 O GLY A 14 -5.057 -8.205 7.772 1.00 0.00 O ATOM 0 H GLY A 14 -5.859 -10.106 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.737 -10.646 8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.238 -11.342 8.022 1.00 0.00 H new ATOM 149 N GLY A 15 -3.024 -9.186 7.850 1.00 0.00 N ATOM 150 CA GLY A 15 -2.294 -7.926 7.857 1.00 0.00 C ATOM 151 C GLY A 15 -2.990 -6.828 8.642 1.00 0.00 C ATOM 152 O GLY A 15 -2.880 -5.655 8.300 1.00 0.00 O ATOM 0 H GLY A 15 -2.433 -10.017 7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.303 -8.092 8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.151 -7.592 6.829 1.00 0.00 H new ATOM 156 N GLN A 16 -3.709 -7.200 9.693 1.00 0.00 N ATOM 157 CA GLN A 16 -4.416 -6.219 10.506 1.00 0.00 C ATOM 158 C GLN A 16 -3.431 -5.263 11.168 1.00 0.00 C ATOM 159 O GLN A 16 -3.264 -4.126 10.726 1.00 0.00 O ATOM 160 CB GLN A 16 -5.269 -6.921 11.564 1.00 0.00 C ATOM 161 CG GLN A 16 -6.736 -7.032 11.185 1.00 0.00 C ATOM 162 CD GLN A 16 -7.635 -7.238 12.389 1.00 0.00 C ATOM 163 OE1 GLN A 16 -7.435 -6.630 13.439 1.00 0.00 O ATOM 164 NE2 GLN A 16 -8.633 -8.102 12.241 1.00 0.00 N ATOM 0 H GLN A 16 -3.818 -8.166 10.001 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.073 -5.641 9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.870 -7.921 11.736 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.185 -6.378 12.505 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.041 -6.127 10.659 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.867 -7.863 10.492 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.762 -8.585 11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.270 -8.283 13.017 1.00 0.00 H new ATOM 171 N GLU A 17 -2.773 -5.732 12.220 1.00 0.00 N ATOM 172 CA GLU A 17 -1.797 -4.917 12.929 1.00 0.00 C ATOM 173 C GLU A 17 -0.578 -4.649 12.049 1.00 0.00 C ATOM 174 O GLU A 17 0.194 -3.726 12.308 1.00 0.00 O ATOM 175 CB GLU A 17 -1.365 -5.608 14.224 1.00 0.00 C ATOM 176 CG GLU A 17 -2.523 -5.940 15.152 1.00 0.00 C ATOM 177 CD GLU A 17 -2.213 -5.629 16.603 1.00 0.00 C ATOM 178 OE1 GLU A 17 -1.465 -4.661 16.857 1.00 0.00 O ATOM 179 OE2 GLU A 17 -2.718 -6.354 17.486 1.00 0.00 O ATOM 0 H GLU A 17 -2.897 -6.670 12.600 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.265 -3.964 13.176 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.834 -6.527 13.976 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.660 -4.965 14.751 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.404 -5.377 14.844 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.770 -6.997 15.055 1.00 0.00 H new ATOM 186 N ALA A 18 -0.410 -5.464 11.011 1.00 0.00 N ATOM 187 CA ALA A 18 0.714 -5.319 10.095 1.00 0.00 C ATOM 188 C ALA A 18 0.459 -4.219 9.068 1.00 0.00 C ATOM 189 O ALA A 18 1.237 -3.272 8.958 1.00 0.00 O ATOM 190 CB ALA A 18 0.994 -6.640 9.396 1.00 0.00 C ATOM 0 H ALA A 18 -1.041 -6.233 10.784 1.00 0.00 H new ATOM 0 HA ALA A 18 1.588 -5.032 10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.836 -6.520 8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.235 -7.401 10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.113 -6.948 8.834 1.00 0.00 H new ATOM 196 N ALA A 19 -0.636 -4.349 8.320 1.00 0.00 N ATOM 197 CA ALA A 19 -0.997 -3.368 7.299 1.00 0.00 C ATOM 198 C ALA A 19 -1.029 -1.964 7.882 1.00 0.00 C ATOM 199 O ALA A 19 -0.467 -1.028 7.313 1.00 0.00 O ATOM 200 CB ALA A 19 -2.341 -3.722 6.685 1.00 0.00 C ATOM 0 H ALA A 19 -1.290 -5.127 8.403 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.238 -3.390 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.600 -2.984 5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.283 -4.709 6.227 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.106 -3.727 7.462 1.00 0.00 H new ATOM 206 N SER A 20 -1.679 -1.831 9.027 1.00 0.00 N ATOM 207 CA SER A 20 -1.776 -0.548 9.700 1.00 0.00 C ATOM 208 C SER A 20 -0.414 -0.130 10.241 1.00 0.00 C ATOM 209 O SER A 20 -0.120 1.059 10.374 1.00 0.00 O ATOM 210 CB SER A 20 -2.796 -0.616 10.839 1.00 0.00 C ATOM 211 OG SER A 20 -2.548 -1.732 11.677 1.00 0.00 O ATOM 0 H SER A 20 -2.148 -2.598 9.510 1.00 0.00 H new ATOM 0 HA SER A 20 -2.111 0.196 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.752 0.301 11.426 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.803 -0.683 10.427 1.00 0.00 H new ATOM 0 HG SER A 20 -2.962 -2.531 11.289 1.00 0.00 H new ATOM 217 N ALA A 21 0.416 -1.122 10.554 1.00 0.00 N ATOM 218 CA ALA A 21 1.746 -0.870 11.081 1.00 0.00 C ATOM 219 C ALA A 21 2.685 -0.351 9.996 1.00 0.00 C ATOM 220 O ALA A 21 3.619 0.399 10.279 1.00 0.00 O ATOM 221 CB ALA A 21 2.315 -2.130 11.714 1.00 0.00 C ATOM 0 H ALA A 21 0.186 -2.110 10.450 1.00 0.00 H new ATOM 0 HA ALA A 21 1.660 -0.099 11.847 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.312 -1.923 12.104 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.667 -2.453 12.529 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.375 -2.919 10.964 1.00 0.00 H new ATOM 227 N ILE A 22 2.428 -0.751 8.755 1.00 0.00 N ATOM 228 CA ILE A 22 3.248 -0.324 7.631 1.00 0.00 C ATOM 229 C ILE A 22 3.113 1.174 7.418 1.00 0.00 C ATOM 230 O ILE A 22 4.096 1.914 7.458 1.00 0.00 O ATOM 231 CB ILE A 22 2.845 -1.038 6.324 1.00 0.00 C ATOM 232 CG1 ILE A 22 2.336 -2.458 6.603 1.00 0.00 C ATOM 233 CG2 ILE A 22 4.018 -1.063 5.361 1.00 0.00 C ATOM 234 CD1 ILE A 22 2.267 -3.345 5.376 1.00 0.00 C ATOM 0 H ILE A 22 1.658 -1.371 8.504 1.00 0.00 H new ATOM 0 HA ILE A 22 4.279 -0.583 7.874 1.00 0.00 H new ATOM 0 HB ILE A 22 2.028 -0.481 5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.987 -2.927 7.341 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.343 -2.395 7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.723 -1.569 4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.322 -0.042 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.852 -1.596 5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.898 -4.331 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.592 -2.902 4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.262 -3.442 4.941 1.00 0.00 H new ATOM 238 N ALA A 23 1.880 1.610 7.198 1.00 0.00 N ATOM 239 CA ALA A 23 1.588 3.022 6.978 1.00 0.00 C ATOM 240 C ALA A 23 2.247 3.889 8.043 1.00 0.00 C ATOM 241 O ALA A 23 2.673 5.013 7.773 1.00 0.00 O ATOM 242 CB ALA A 23 0.082 3.241 6.970 1.00 0.00 C ATOM 0 H ALA A 23 1.061 1.003 7.167 1.00 0.00 H new ATOM 0 HA ALA A 23 1.997 3.314 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.131 4.297 6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.367 2.651 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.336 2.932 7.928 1.00 0.00 H new ATOM 248 N GLU A 24 2.322 3.357 9.256 1.00 0.00 N ATOM 249 CA GLU A 24 2.921 4.073 10.373 1.00 0.00 C ATOM 250 C GLU A 24 4.448 4.008 10.327 1.00 0.00 C ATOM 251 O GLU A 24 5.128 4.977 10.664 1.00 0.00 O ATOM 252 CB GLU A 24 2.422 3.498 11.701 1.00 0.00 C ATOM 253 CG GLU A 24 0.920 3.620 11.895 1.00 0.00 C ATOM 254 CD GLU A 24 0.421 2.824 13.085 1.00 0.00 C ATOM 255 OE1 GLU A 24 0.940 1.711 13.315 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.487 3.314 13.789 1.00 0.00 O ATOM 0 H GLU A 24 1.974 2.428 9.491 1.00 0.00 H new ATOM 0 HA GLU A 24 2.621 5.118 10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.702 2.446 11.759 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.928 4.009 12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.658 4.670 12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.412 3.277 10.994 1.00 0.00 H new ATOM 263 N GLU A 25 4.979 2.857 9.923 1.00 0.00 N ATOM 264 CA GLU A 25 6.426 2.664 9.851 1.00 0.00 C ATOM 265 C GLU A 25 7.052 3.484 8.726 1.00 0.00 C ATOM 266 O GLU A 25 7.979 4.261 8.955 1.00 0.00 O ATOM 267 CB GLU A 25 6.752 1.184 9.656 1.00 0.00 C ATOM 268 CG GLU A 25 8.157 0.811 10.100 1.00 0.00 C ATOM 269 CD GLU A 25 8.390 1.069 11.576 1.00 0.00 C ATOM 270 OE1 GLU A 25 7.642 0.503 12.402 1.00 0.00 O ATOM 271 OE2 GLU A 25 9.317 1.837 11.906 1.00 0.00 O ATOM 0 H GLU A 25 4.431 2.045 9.641 1.00 0.00 H new ATOM 0 HA GLU A 25 6.850 3.010 10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.032 0.585 10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.632 0.929 8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.333 -0.243 9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.881 1.380 9.517 1.00 0.00 H new ATOM 278 N LEU A 26 6.543 3.307 7.511 1.00 0.00 N ATOM 279 CA LEU A 26 7.063 4.036 6.357 1.00 0.00 C ATOM 280 C LEU A 26 6.441 5.424 6.291 1.00 0.00 C ATOM 281 O LEU A 26 7.146 6.434 6.269 1.00 0.00 O ATOM 282 CB LEU A 26 6.812 3.278 5.038 1.00 0.00 C ATOM 283 CG LEU A 26 5.867 2.068 5.109 1.00 0.00 C ATOM 284 CD1 LEU A 26 4.466 2.456 4.666 1.00 0.00 C ATOM 285 CD2 LEU A 26 6.395 0.928 4.255 1.00 0.00 C ATOM 0 H LEU A 26 5.776 2.669 7.299 1.00 0.00 H new ATOM 0 HA LEU A 26 8.142 4.128 6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.409 3.983 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.773 2.938 4.652 1.00 0.00 H new ATOM 0 HG LEU A 26 5.820 1.732 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.812 1.586 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.083 3.241 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.497 2.820 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.713 0.080 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.472 1.256 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.379 0.629 4.615 1.00 0.00 H new ATOM 291 N GLY A 27 5.116 5.465 6.273 1.00 0.00 N ATOM 292 CA GLY A 27 4.414 6.737 6.225 1.00 0.00 C ATOM 293 C GLY A 27 3.365 6.792 5.132 1.00 0.00 C ATOM 294 O GLY A 27 3.562 7.443 4.106 1.00 0.00 O ATOM 0 H GLY A 27 4.513 4.643 6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.938 6.920 7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.136 7.539 6.069 1.00 0.00 H new ATOM 298 N TYR A 28 2.246 6.107 5.351 1.00 0.00 N ATOM 299 CA TYR A 28 1.163 6.082 4.374 1.00 0.00 C ATOM 300 C TYR A 28 -0.193 5.967 5.062 1.00 0.00 C ATOM 301 O TYR A 28 -0.275 5.853 6.286 1.00 0.00 O ATOM 302 CB TYR A 28 1.343 4.903 3.412 1.00 0.00 C ATOM 303 CG TYR A 28 2.360 5.143 2.322 1.00 0.00 C ATOM 304 CD1 TYR A 28 3.719 5.171 2.608 1.00 0.00 C ATOM 305 CD2 TYR A 28 1.963 5.331 1.005 1.00 0.00 C ATOM 306 CE1 TYR A 28 4.652 5.383 1.614 1.00 0.00 C ATOM 307 CE2 TYR A 28 2.890 5.542 0.004 1.00 0.00 C ATOM 308 CZ TYR A 28 4.232 5.567 0.312 1.00 0.00 C ATOM 309 OH TYR A 28 5.157 5.776 -0.684 1.00 0.00 O ATOM 0 H TYR A 28 2.066 5.563 6.195 1.00 0.00 H new ATOM 0 HA TYR A 28 1.196 7.018 3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.641 4.024 3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.382 4.674 2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.051 5.024 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.911 5.312 0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.705 5.405 1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.564 5.687 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 28 5.792 6.466 -0.401 1.00 0.00 H new ATOM 319 N ASP A 29 -1.253 5.976 4.261 1.00 0.00 N ATOM 320 CA ASP A 29 -2.610 5.848 4.778 1.00 0.00 C ATOM 321 C ASP A 29 -3.181 4.500 4.365 1.00 0.00 C ATOM 322 O ASP A 29 -3.691 4.345 3.257 1.00 0.00 O ATOM 323 CB ASP A 29 -3.496 6.980 4.256 1.00 0.00 C ATOM 324 CG ASP A 29 -3.414 8.222 5.122 1.00 0.00 C ATOM 325 OD1 ASP A 29 -2.332 8.477 5.692 1.00 0.00 O ATOM 326 OD2 ASP A 29 -4.431 8.938 5.231 1.00 0.00 O ATOM 0 H ASP A 29 -1.198 6.071 3.247 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.583 5.913 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.199 7.230 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.530 6.638 4.212 1.00 0.00 H new ATOM 331 N LEU A 30 -3.060 3.518 5.251 1.00 0.00 N ATOM 332 CA LEU A 30 -3.531 2.169 4.965 1.00 0.00 C ATOM 333 C LEU A 30 -4.949 1.929 5.472 1.00 0.00 C ATOM 334 O LEU A 30 -5.259 2.180 6.636 1.00 0.00 O ATOM 335 CB LEU A 30 -2.577 1.145 5.588 1.00 0.00 C ATOM 336 CG LEU A 30 -3.065 -0.310 5.596 1.00 0.00 C ATOM 337 CD1 LEU A 30 -3.888 -0.598 6.841 1.00 0.00 C ATOM 338 CD2 LEU A 30 -3.855 -0.632 4.333 1.00 0.00 C ATOM 0 H LEU A 30 -2.640 3.631 6.173 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.550 2.053 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.629 1.187 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.374 1.445 6.616 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.188 -0.957 5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.223 -1.635 6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.278 -0.428 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.755 0.063 6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.188 -1.669 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.722 0.025 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.221 -0.483 3.459 1.00 0.00 H new ATOM 344 N LEU A 31 -5.797 1.406 4.588 1.00 0.00 N ATOM 345 CA LEU A 31 -7.172 1.086 4.941 1.00 0.00 C ATOM 346 C LEU A 31 -7.695 -0.069 4.108 1.00 0.00 C ATOM 347 O LEU A 31 -8.129 0.098 2.971 1.00 0.00 O ATOM 348 CB LEU A 31 -8.116 2.291 4.825 1.00 0.00 C ATOM 349 CG LEU A 31 -7.609 3.466 3.993 1.00 0.00 C ATOM 350 CD1 LEU A 31 -6.537 4.231 4.747 1.00 0.00 C ATOM 351 CD2 LEU A 31 -7.093 2.975 2.653 1.00 0.00 C ATOM 0 H LEU A 31 -5.552 1.196 3.621 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.154 0.791 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.058 1.949 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.336 2.652 5.830 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.438 4.150 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.188 5.065 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.951 4.612 5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.701 3.566 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.734 3.822 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.275 2.272 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.899 2.477 2.113 1.00 0.00 H new ATOM 357 N GLY A 32 -7.636 -1.241 4.702 1.00 0.00 N ATOM 358 CA GLY A 32 -8.088 -2.446 4.038 1.00 0.00 C ATOM 359 C GLY A 32 -9.449 -2.923 4.502 1.00 0.00 C ATOM 360 O GLY A 32 -9.553 -3.675 5.471 1.00 0.00 O ATOM 0 H GLY A 32 -7.279 -1.386 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.123 -2.267 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.358 -3.238 4.206 1.00 0.00 H new ATOM 364 N GLN A 33 -10.491 -2.497 3.801 1.00 0.00 N ATOM 365 CA GLN A 33 -11.850 -2.898 4.136 1.00 0.00 C ATOM 366 C GLN A 33 -12.742 -2.890 2.896 1.00 0.00 C ATOM 367 O GLN A 33 -13.157 -1.827 2.436 1.00 0.00 O ATOM 368 CB GLN A 33 -12.425 -1.969 5.203 1.00 0.00 C ATOM 369 CG GLN A 33 -13.844 -2.321 5.622 1.00 0.00 C ATOM 370 CD GLN A 33 -14.132 -1.959 7.065 1.00 0.00 C ATOM 371 OE1 GLN A 33 -15.075 -1.223 7.357 1.00 0.00 O ATOM 372 NE2 GLN A 33 -13.317 -2.475 7.977 1.00 0.00 N ATOM 0 H GLN A 33 -10.421 -1.874 2.997 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.819 -3.914 4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.780 -1.996 6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.410 -0.946 4.827 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -14.550 -1.802 4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -14.006 -3.389 5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.548 -3.080 7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.460 -2.266 8.965 1.00 0.00 H new ATOM 379 N ILE A 34 -13.050 -4.071 2.362 1.00 0.00 N ATOM 380 CA ILE A 34 -13.912 -4.157 1.185 1.00 0.00 C ATOM 381 C ILE A 34 -15.363 -4.173 1.601 1.00 0.00 C ATOM 382 O ILE A 34 -16.238 -3.642 0.918 1.00 0.00 O ATOM 383 CB ILE A 34 -13.658 -5.422 0.338 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.182 -5.797 0.330 1.00 0.00 C ATOM 385 CG2 ILE A 34 -14.157 -5.212 -1.084 1.00 0.00 C ATOM 386 CD1 ILE A 34 -11.755 -6.602 1.537 1.00 0.00 C ATOM 0 H ILE A 34 -12.721 -4.968 2.719 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.677 -3.281 0.581 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.210 -6.246 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.966 -6.369 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.585 -4.887 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -13.972 -6.112 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.227 -5.003 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.630 -4.370 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.692 -6.833 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.939 -6.025 2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -12.326 -7.530 1.576 1.00 0.00 H new ATOM 390 N GLY A 35 -15.601 -4.822 2.719 1.00 0.00 N ATOM 391 CA GLY A 35 -16.950 -4.954 3.231 1.00 0.00 C ATOM 392 C GLY A 35 -17.525 -6.299 2.864 1.00 0.00 C ATOM 393 O GLY A 35 -18.044 -7.022 3.714 1.00 0.00 O ATOM 0 H GLY A 35 -14.882 -5.266 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.947 -4.837 4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.578 -4.161 2.826 1.00 0.00 H new ATOM 397 N SER A 36 -17.390 -6.652 1.588 1.00 0.00 N ATOM 398 CA SER A 36 -17.854 -7.940 1.095 1.00 0.00 C ATOM 399 C SER A 36 -17.182 -9.054 1.889 1.00 0.00 C ATOM 400 O SER A 36 -17.717 -10.152 2.036 1.00 0.00 O ATOM 401 CB SER A 36 -17.519 -8.083 -0.392 1.00 0.00 C ATOM 402 OG SER A 36 -18.482 -7.428 -1.199 1.00 0.00 O ATOM 0 H SER A 36 -16.961 -6.060 0.877 1.00 0.00 H new ATOM 0 HA SER A 36 -18.935 -8.007 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.532 -7.664 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 36 -17.476 -9.139 -0.658 1.00 0.00 H new ATOM 0 HG SER A 36 -18.243 -7.533 -2.144 1.00 0.00 H new ATOM 408 N LEU A 37 -15.998 -8.736 2.403 1.00 0.00 N ATOM 409 CA LEU A 37 -15.211 -9.660 3.197 1.00 0.00 C ATOM 410 C LEU A 37 -14.221 -8.865 4.056 1.00 0.00 C ATOM 411 O LEU A 37 -14.477 -7.706 4.380 1.00 0.00 O ATOM 412 CB LEU A 37 -14.492 -10.678 2.289 1.00 0.00 C ATOM 413 CG LEU A 37 -13.883 -10.152 0.970 1.00 0.00 C ATOM 414 CD1 LEU A 37 -13.819 -8.634 0.910 1.00 0.00 C ATOM 415 CD2 LEU A 37 -12.496 -10.735 0.767 1.00 0.00 C ATOM 0 H LEU A 37 -15.559 -7.824 2.277 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.865 -10.229 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.692 -11.139 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.202 -11.467 2.041 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.546 -10.475 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.382 -8.326 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.825 -8.224 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.204 -8.263 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.076 -10.358 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.854 -10.444 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.561 -11.822 0.722 1.00 0.00 H new ATOM 421 N GLU A 38 -13.098 -9.471 4.418 1.00 0.00 N ATOM 422 CA GLU A 38 -12.098 -8.792 5.226 1.00 0.00 C ATOM 423 C GLU A 38 -10.714 -9.345 4.936 1.00 0.00 C ATOM 424 O GLU A 38 -10.321 -10.382 5.469 1.00 0.00 O ATOM 425 CB GLU A 38 -12.413 -8.945 6.710 1.00 0.00 C ATOM 426 CG GLU A 38 -13.644 -8.173 7.156 1.00 0.00 C ATOM 427 CD GLU A 38 -13.931 -8.338 8.636 1.00 0.00 C ATOM 428 OE1 GLU A 38 -14.473 -9.394 9.022 1.00 0.00 O ATOM 429 OE2 GLU A 38 -13.612 -7.410 9.410 1.00 0.00 O ATOM 0 H GLU A 38 -12.858 -10.430 4.165 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.117 -7.733 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.557 -10.002 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.554 -8.609 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.506 -7.115 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.507 -8.510 6.582 1.00 0.00 H new ATOM 436 N ASN A 39 -9.977 -8.645 4.089 1.00 0.00 N ATOM 437 CA ASN A 39 -8.630 -9.075 3.731 1.00 0.00 C ATOM 438 C ASN A 39 -7.912 -8.024 2.899 1.00 0.00 C ATOM 439 O ASN A 39 -6.716 -7.800 3.060 1.00 0.00 O ATOM 440 CB ASN A 39 -8.685 -10.427 3.006 1.00 0.00 C ATOM 441 CG ASN A 39 -8.656 -10.308 1.495 1.00 0.00 C ATOM 442 OD1 ASN A 39 -7.668 -10.664 0.854 1.00 0.00 O ATOM 443 ND2 ASN A 39 -9.738 -9.804 0.923 1.00 0.00 N ATOM 0 H ASN A 39 -10.283 -7.783 3.638 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.053 -9.200 4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.842 -11.038 3.330 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.593 -10.952 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.776 -9.697 -0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.534 -9.522 1.496 1.00 0.00 H new ATOM 448 N HIS A 40 -8.651 -7.386 2.018 1.00 0.00 N ATOM 449 CA HIS A 40 -8.099 -6.345 1.163 1.00 0.00 C ATOM 450 C HIS A 40 -7.481 -5.235 2.005 1.00 0.00 C ATOM 451 O HIS A 40 -7.971 -4.929 3.089 1.00 0.00 O ATOM 452 CB HIS A 40 -9.189 -5.761 0.265 1.00 0.00 C ATOM 453 CG HIS A 40 -8.652 -4.978 -0.893 1.00 0.00 C ATOM 454 ND1 HIS A 40 -8.621 -5.463 -2.184 1.00 0.00 N ATOM 455 CD2 HIS A 40 -8.123 -3.732 -0.949 1.00 0.00 C ATOM 456 CE1 HIS A 40 -8.095 -4.551 -2.982 1.00 0.00 C ATOM 457 NE2 HIS A 40 -7.786 -3.491 -2.257 1.00 0.00 N ATOM 0 H HIS A 40 -9.644 -7.568 1.871 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.324 -6.791 0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.811 -6.572 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.834 -5.116 0.862 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -8.952 -6.382 -2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.991 -3.054 -0.118 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -7.943 -4.655 -4.046 1.00 0.00 H new ATOM 466 N TYR A 41 -6.412 -4.632 1.495 1.00 0.00 N ATOM 467 CA TYR A 41 -5.733 -3.545 2.194 1.00 0.00 C ATOM 468 C TYR A 41 -5.092 -2.604 1.186 1.00 0.00 C ATOM 469 O TYR A 41 -4.442 -3.051 0.240 1.00 0.00 O ATOM 470 CB TYR A 41 -4.694 -4.098 3.176 1.00 0.00 C ATOM 471 CG TYR A 41 -5.265 -4.405 4.550 1.00 0.00 C ATOM 472 CD1 TYR A 41 -5.959 -5.584 4.788 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.113 -3.516 5.608 1.00 0.00 C ATOM 474 CE1 TYR A 41 -6.483 -5.869 6.035 1.00 0.00 C ATOM 475 CE2 TYR A 41 -5.632 -3.794 6.857 1.00 0.00 C ATOM 476 CZ TYR A 41 -6.316 -4.971 7.066 1.00 0.00 C ATOM 477 OH TYR A 41 -6.836 -5.250 8.309 1.00 0.00 O ATOM 0 H TYR A 41 -5.996 -4.878 0.597 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.466 -2.983 2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.260 -5.007 2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.884 -3.376 3.280 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.092 -6.292 3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.579 -2.591 5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.021 -6.791 6.200 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.502 -3.091 7.667 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.852 -6.220 8.447 1.00 0.00 H new ATOM 487 N LEU A 42 -5.300 -1.299 1.362 1.00 0.00 N ATOM 488 CA LEU A 42 -4.751 -0.334 0.417 1.00 0.00 C ATOM 489 C LEU A 42 -4.165 0.900 1.101 1.00 0.00 C ATOM 490 O LEU A 42 -4.694 1.389 2.099 1.00 0.00 O ATOM 491 CB LEU A 42 -5.826 0.047 -0.607 1.00 0.00 C ATOM 492 CG LEU A 42 -6.463 1.429 -0.452 1.00 0.00 C ATOM 493 CD1 LEU A 42 -6.519 2.118 -1.805 1.00 0.00 C ATOM 494 CD2 LEU A 42 -7.850 1.306 0.159 1.00 0.00 C ATOM 0 H LEU A 42 -5.832 -0.895 2.132 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.916 -0.809 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.385 -0.015 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.619 -0.700 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.856 2.034 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.973 3.103 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.509 2.227 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.115 1.519 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.291 2.297 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.480 0.695 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.775 0.837 1.140 1.00 0.00 H new ATOM 500 N PHE A 43 -3.059 1.390 0.540 1.00 0.00 N ATOM 501 CA PHE A 43 -2.368 2.564 1.067 1.00 0.00 C ATOM 502 C PHE A 43 -2.603 3.781 0.172 1.00 0.00 C ATOM 503 O PHE A 43 -2.912 3.641 -1.012 1.00 0.00 O ATOM 504 CB PHE A 43 -0.858 2.305 1.150 1.00 0.00 C ATOM 505 CG PHE A 43 -0.430 1.311 2.199 1.00 0.00 C ATOM 506 CD1 PHE A 43 -1.273 0.295 2.623 1.00 0.00 C ATOM 507 CD2 PHE A 43 0.839 1.391 2.750 1.00 0.00 C ATOM 508 CE1 PHE A 43 -0.860 -0.615 3.576 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.256 0.482 3.702 1.00 0.00 C ATOM 510 CZ PHE A 43 0.404 -0.522 4.114 1.00 0.00 C ATOM 0 H PHE A 43 -2.620 0.986 -0.287 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.767 2.761 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.513 1.953 0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.354 3.252 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.265 0.214 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.510 2.174 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.528 -1.399 3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.248 0.557 4.123 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.728 -1.234 4.858 1.00 0.00 H new ATOM 520 N LYS A 44 -2.433 4.974 0.738 1.00 0.00 N ATOM 521 CA LYS A 44 -2.604 6.212 -0.017 1.00 0.00 C ATOM 522 C LYS A 44 -1.708 7.318 0.535 1.00 0.00 C ATOM 523 O LYS A 44 -2.058 7.986 1.507 1.00 0.00 O ATOM 524 CB LYS A 44 -4.061 6.663 0.018 1.00 0.00 C ATOM 525 CG LYS A 44 -4.983 5.782 -0.799 1.00 0.00 C ATOM 526 CD LYS A 44 -5.539 4.650 0.046 1.00 0.00 C ATOM 527 CE LYS A 44 -7.049 4.744 0.203 1.00 0.00 C ATOM 528 NZ LYS A 44 -7.714 5.369 -0.977 1.00 0.00 N ATOM 0 H LYS A 44 -2.177 5.109 1.716 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.316 6.015 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.405 6.676 1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.126 7.686 -0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.803 6.379 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.441 5.373 -1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.281 3.695 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.070 4.668 1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.457 3.745 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.282 5.325 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.714 5.085 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.650 6.404 -0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.242 5.054 -1.849 1.00 0.00 H new ATOM 542 N HIS A 45 -0.551 7.509 -0.093 1.00 0.00 N ATOM 543 CA HIS A 45 0.389 8.538 0.338 1.00 0.00 C ATOM 544 C HIS A 45 1.409 8.844 -0.753 1.00 0.00 C ATOM 545 O HIS A 45 2.332 8.066 -0.989 1.00 0.00 O ATOM 546 CB HIS A 45 1.106 8.100 1.613 1.00 0.00 C ATOM 547 CG HIS A 45 1.196 9.179 2.647 1.00 0.00 C ATOM 548 ND1 HIS A 45 2.115 10.205 2.588 1.00 0.00 N ATOM 549 CD2 HIS A 45 0.473 9.388 3.774 1.00 0.00 C ATOM 550 CE1 HIS A 45 1.956 10.997 3.633 1.00 0.00 C ATOM 551 NE2 HIS A 45 0.966 10.524 4.368 1.00 0.00 N ATOM 0 H HIS A 45 -0.243 6.966 -0.900 1.00 0.00 H new ATOM 0 HA HIS A 45 -0.178 9.447 0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.584 7.243 2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.112 7.766 1.359 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -0.339 8.776 4.137 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.537 11.881 3.850 1.00 0.00 H new ATOM 0 HE2 HIS A 45 0.623 10.936 5.236 1.00 0.00 H new ATOM 560 N LYS A 46 1.237 9.984 -1.414 1.00 0.00 N ATOM 561 CA LYS A 46 2.146 10.395 -2.479 1.00 0.00 C ATOM 562 C LYS A 46 2.669 11.804 -2.229 1.00 0.00 C ATOM 563 O LYS A 46 2.314 12.747 -2.937 1.00 0.00 O ATOM 564 CB LYS A 46 1.441 10.334 -3.832 1.00 0.00 C ATOM 565 CG LYS A 46 0.649 9.055 -4.052 1.00 0.00 C ATOM 566 CD LYS A 46 1.476 8.001 -4.773 1.00 0.00 C ATOM 567 CE LYS A 46 1.691 6.770 -3.907 1.00 0.00 C ATOM 568 NZ LYS A 46 0.412 6.071 -3.605 1.00 0.00 N ATOM 0 H LYS A 46 0.477 10.640 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 46 2.991 9.707 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.768 11.187 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.184 10.431 -4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.316 8.663 -3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.246 9.276 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.974 7.713 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.441 8.423 -5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.368 6.083 -4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.173 7.062 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.247 6.077 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.372 6.559 -4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.466 5.088 -3.941 1.00 0.00 H new ATOM 582 N SER A 47 3.512 11.939 -1.214 1.00 0.00 N ATOM 583 CA SER A 47 4.083 13.228 -0.859 1.00 0.00 C ATOM 584 C SER A 47 5.119 13.679 -1.884 1.00 0.00 C ATOM 585 O SER A 47 5.232 14.866 -2.185 1.00 0.00 O ATOM 586 CB SER A 47 4.719 13.147 0.526 1.00 0.00 C ATOM 587 OG SER A 47 5.135 14.426 0.974 1.00 0.00 O ATOM 0 H SER A 47 3.816 11.167 -0.621 1.00 0.00 H new ATOM 0 HA SER A 47 3.279 13.964 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.005 12.726 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.575 12.473 0.497 1.00 0.00 H new ATOM 0 HG SER A 47 5.537 14.346 1.864 1.00 0.00 H new ATOM 593 N HIS A 48 5.876 12.725 -2.415 1.00 0.00 N ATOM 594 CA HIS A 48 6.907 13.034 -3.407 1.00 0.00 C ATOM 595 C HIS A 48 6.384 12.841 -4.830 1.00 0.00 C ATOM 596 O HIS A 48 6.277 13.805 -5.588 1.00 0.00 O ATOM 597 CB HIS A 48 8.174 12.186 -3.191 1.00 0.00 C ATOM 598 CG HIS A 48 8.042 11.113 -2.154 1.00 0.00 C ATOM 599 ND1 HIS A 48 8.242 9.776 -2.428 1.00 0.00 N ATOM 600 CD2 HIS A 48 7.729 11.182 -0.838 1.00 0.00 C ATOM 601 CE1 HIS A 48 8.056 9.070 -1.328 1.00 0.00 C ATOM 602 NE2 HIS A 48 7.745 9.899 -0.349 1.00 0.00 N ATOM 0 H HIS A 48 5.798 11.736 -2.179 1.00 0.00 H new ATOM 0 HA HIS A 48 7.171 14.083 -3.273 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.451 11.724 -4.139 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.993 12.847 -2.907 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.494 9.392 -3.339 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.508 12.079 -0.278 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.143 7.997 -1.244 1.00 0.00 H new ATOM 611 N PRO A 49 6.050 11.594 -5.221 1.00 0.00 N ATOM 612 CA PRO A 49 5.543 11.293 -6.560 1.00 0.00 C ATOM 613 C PRO A 49 4.500 12.304 -7.030 1.00 0.00 C ATOM 614 O PRO A 49 3.522 12.574 -6.333 1.00 0.00 O ATOM 615 CB PRO A 49 4.912 9.896 -6.413 1.00 0.00 C ATOM 616 CG PRO A 49 5.032 9.536 -4.965 1.00 0.00 C ATOM 617 CD PRO A 49 6.139 10.380 -4.407 1.00 0.00 C ATOM 0 HA PRO A 49 6.336 11.335 -7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.868 9.905 -6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.427 9.168 -7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.096 9.726 -4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.255 8.476 -4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.995 10.590 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.110 9.894 -4.507 1.00 0.00 H new ATOM 625 N ARG A 50 4.719 12.857 -8.218 1.00 0.00 N ATOM 626 CA ARG A 50 3.803 13.839 -8.788 1.00 0.00 C ATOM 627 C ARG A 50 3.086 13.264 -10.005 1.00 0.00 C ATOM 628 O ARG A 50 3.214 13.779 -11.117 1.00 0.00 O ATOM 629 CB ARG A 50 4.562 15.109 -9.176 1.00 0.00 C ATOM 630 CG ARG A 50 3.663 16.318 -9.381 1.00 0.00 C ATOM 631 CD ARG A 50 4.473 17.580 -9.635 1.00 0.00 C ATOM 632 NE ARG A 50 4.273 18.096 -10.987 1.00 0.00 N ATOM 633 CZ ARG A 50 5.107 18.942 -11.589 1.00 0.00 C ATOM 634 NH1 ARG A 50 6.198 19.366 -10.965 1.00 0.00 N ATOM 635 NH2 ARG A 50 4.848 19.362 -12.819 1.00 0.00 N ATOM 0 H ARG A 50 5.524 12.642 -8.806 1.00 0.00 H new ATOM 0 HA ARG A 50 3.057 14.090 -8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.292 15.337 -8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.120 14.922 -10.093 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.996 16.137 -10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.035 16.459 -8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.191 18.344 -8.910 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.531 17.369 -9.480 1.00 0.00 H new ATOM 0 HE ARG A 50 3.446 17.790 -11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.402 19.044 -10.019 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.833 20.014 -11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.011 19.037 -13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.486 20.010 -13.282 1.00 0.00 H new ATOM 649 N ARG A 51 2.336 12.188 -9.786 1.00 0.00 N ATOM 650 CA ARG A 51 1.598 11.527 -10.861 1.00 0.00 C ATOM 651 C ARG A 51 2.489 11.347 -12.087 1.00 0.00 C ATOM 652 O ARG A 51 2.178 11.829 -13.176 1.00 0.00 O ATOM 653 CB ARG A 51 0.352 12.337 -11.223 1.00 0.00 C ATOM 654 CG ARG A 51 -0.535 11.666 -12.260 1.00 0.00 C ATOM 655 CD ARG A 51 -0.587 12.466 -13.553 1.00 0.00 C ATOM 656 NE ARG A 51 -1.672 13.444 -13.548 1.00 0.00 N ATOM 657 CZ ARG A 51 -1.723 14.499 -14.358 1.00 0.00 C ATOM 658 NH1 ARG A 51 -0.755 14.713 -15.242 1.00 0.00 N ATOM 659 NH2 ARG A 51 -2.744 15.342 -14.285 1.00 0.00 N ATOM 0 H ARG A 51 2.222 11.753 -8.871 1.00 0.00 H new ATOM 0 HA ARG A 51 1.286 10.542 -10.514 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.231 12.513 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.660 13.313 -11.599 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.160 10.663 -12.466 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.543 11.554 -11.860 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.363 12.979 -13.700 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.716 11.786 -14.395 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.435 13.311 -12.885 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.032 14.067 -15.302 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.799 15.523 -15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.490 15.182 -13.608 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.783 16.151 -14.906 1.00 0.00 H new ATOM 673 N SER A 52 3.605 10.656 -11.893 1.00 0.00 N ATOM 674 CA SER A 52 4.557 10.416 -12.969 1.00 0.00 C ATOM 675 C SER A 52 5.658 9.467 -12.508 1.00 0.00 C ATOM 676 O SER A 52 6.075 8.575 -13.247 1.00 0.00 O ATOM 677 CB SER A 52 5.170 11.736 -13.440 1.00 0.00 C ATOM 678 OG SER A 52 5.368 11.735 -14.842 1.00 0.00 O ATOM 0 H SER A 52 3.874 10.251 -10.996 1.00 0.00 H new ATOM 0 HA SER A 52 4.024 9.956 -13.801 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.517 12.563 -13.163 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.122 11.899 -12.935 1.00 0.00 H new ATOM 0 HG SER A 52 5.759 12.590 -15.118 1.00 0.00 H new ATOM 684 N ARG A 53 6.120 9.669 -11.277 1.00 0.00 N ATOM 685 CA ARG A 53 7.171 8.837 -10.703 1.00 0.00 C ATOM 686 C ARG A 53 6.764 7.365 -10.717 1.00 0.00 C ATOM 687 O ARG A 53 6.172 6.865 -9.761 1.00 0.00 O ATOM 688 CB ARG A 53 7.473 9.289 -9.271 1.00 0.00 C ATOM 689 CG ARG A 53 8.946 9.562 -9.016 1.00 0.00 C ATOM 690 CD ARG A 53 9.316 10.994 -9.369 1.00 0.00 C ATOM 691 NE ARG A 53 9.035 11.301 -10.770 1.00 0.00 N ATOM 692 CZ ARG A 53 9.779 10.871 -11.787 1.00 0.00 C ATOM 693 NH1 ARG A 53 10.848 10.117 -11.564 1.00 0.00 N ATOM 694 NH2 ARG A 53 9.451 11.196 -13.030 1.00 0.00 N ATOM 0 H ARG A 53 5.781 10.404 -10.657 1.00 0.00 H new ATOM 0 HA ARG A 53 8.070 8.949 -11.309 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.902 10.193 -9.056 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.129 8.522 -8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.176 9.374 -7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.552 8.873 -9.604 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.762 11.680 -8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.375 11.155 -9.168 1.00 0.00 H new ATOM 0 HE ARG A 53 8.221 11.879 -10.981 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.103 9.864 -10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.414 9.790 -12.347 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.630 11.775 -13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.020 10.867 -13.810 1.00 0.00 H new ATOM 708 N ARG A 54 7.082 6.679 -11.810 1.00 0.00 N ATOM 709 CA ARG A 54 6.746 5.267 -11.955 1.00 0.00 C ATOM 710 C ARG A 54 7.627 4.394 -11.066 1.00 0.00 C ATOM 711 O ARG A 54 8.395 3.566 -11.555 1.00 0.00 O ATOM 712 CB ARG A 54 6.888 4.834 -13.416 1.00 0.00 C ATOM 713 CG ARG A 54 8.259 5.118 -14.009 1.00 0.00 C ATOM 714 CD ARG A 54 8.375 4.582 -15.427 1.00 0.00 C ATOM 715 NE ARG A 54 7.876 5.537 -16.415 1.00 0.00 N ATOM 716 CZ ARG A 54 7.552 5.211 -17.665 1.00 0.00 C ATOM 717 NH1 ARG A 54 7.672 3.957 -18.084 1.00 0.00 N ATOM 718 NH2 ARG A 54 7.105 6.141 -18.498 1.00 0.00 N ATOM 0 H ARG A 54 7.573 7.079 -12.610 1.00 0.00 H new ATOM 0 HA ARG A 54 5.710 5.137 -11.641 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.684 3.766 -13.490 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.132 5.345 -14.012 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.441 6.193 -14.009 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.028 4.665 -13.384 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.418 4.349 -15.642 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.816 3.650 -15.509 1.00 0.00 H new ATOM 0 HE ARG A 54 7.770 6.511 -16.130 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.014 3.237 -17.447 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.422 3.713 -19.042 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.009 7.106 -18.181 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.857 5.891 -19.455 1.00 0.00 H new ATOM 732 N SER A 55 7.508 4.580 -9.753 1.00 0.00 N ATOM 733 CA SER A 55 8.292 3.805 -8.795 1.00 0.00 C ATOM 734 C SER A 55 8.149 4.367 -7.386 1.00 0.00 C ATOM 735 O SER A 55 8.118 5.582 -7.190 1.00 0.00 O ATOM 736 CB SER A 55 9.771 3.790 -9.193 1.00 0.00 C ATOM 737 OG SER A 55 10.078 2.646 -9.971 1.00 0.00 O ATOM 0 H SER A 55 6.877 5.260 -9.329 1.00 0.00 H new ATOM 0 HA SER A 55 7.908 2.785 -8.805 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.008 4.692 -9.757 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.392 3.802 -8.297 1.00 0.00 H new ATOM 0 HG SER A 55 9.677 2.738 -10.860 1.00 0.00 H new ATOM 743 N ALA A 56 8.072 3.474 -6.405 1.00 0.00 N ATOM 744 CA ALA A 56 7.946 3.878 -5.011 1.00 0.00 C ATOM 745 C ALA A 56 9.306 3.848 -4.321 1.00 0.00 C ATOM 746 O ALA A 56 10.343 3.816 -4.983 1.00 0.00 O ATOM 747 CB ALA A 56 6.957 2.976 -4.287 1.00 0.00 C ATOM 0 H ALA A 56 8.095 2.465 -6.551 1.00 0.00 H new ATOM 0 HA ALA A 56 7.569 4.900 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.873 3.290 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.981 3.047 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.308 1.945 -4.328 1.00 0.00 H new ATOM 753 N LEU A 57 9.301 3.856 -2.992 1.00 0.00 N ATOM 754 CA LEU A 57 10.546 3.827 -2.234 1.00 0.00 C ATOM 755 C LEU A 57 10.327 3.260 -0.830 1.00 0.00 C ATOM 756 O LEU A 57 10.370 2.045 -0.638 1.00 0.00 O ATOM 757 CB LEU A 57 11.156 5.229 -2.167 1.00 0.00 C ATOM 758 CG LEU A 57 10.143 6.369 -2.042 1.00 0.00 C ATOM 759 CD1 LEU A 57 10.491 7.263 -0.863 1.00 0.00 C ATOM 760 CD2 LEU A 57 10.078 7.174 -3.331 1.00 0.00 C ATOM 0 H LEU A 57 8.456 3.882 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 57 11.244 3.167 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.836 5.273 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.755 5.392 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 57 9.158 5.937 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.760 8.068 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.478 6.676 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.485 7.687 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.352 7.979 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.059 7.597 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.776 6.523 -4.152 1.00 0.00 H new ATOM 766 N HIS A 58 10.098 4.132 0.156 1.00 0.00 N ATOM 767 CA HIS A 58 9.885 3.682 1.524 1.00 0.00 C ATOM 768 C HIS A 58 8.692 2.736 1.613 1.00 0.00 C ATOM 769 O HIS A 58 8.623 1.911 2.518 1.00 0.00 O ATOM 770 CB HIS A 58 9.710 4.864 2.487 1.00 0.00 C ATOM 771 CG HIS A 58 8.692 5.890 2.075 1.00 0.00 C ATOM 772 ND1 HIS A 58 8.199 6.955 2.755 1.00 0.00 N flip ATOM 773 CD2 HIS A 58 8.072 5.910 0.842 1.00 0.00 C flip ATOM 774 CE1 HIS A 58 7.308 7.590 1.930 1.00 0.00 C flip ATOM 775 NE2 HIS A 58 7.250 6.943 0.782 1.00 0.00 N flip ATOM 0 H HIS A 58 10.057 5.143 0.029 1.00 0.00 H new ATOM 0 HA HIS A 58 10.778 3.135 1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.431 4.474 3.466 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.673 5.360 2.604 1.00 0.00 H new ATOM 0 HD1 HIS A 58 8.446 7.232 3.705 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.233 5.194 0.050 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.744 8.477 2.179 1.00 0.00 H new ATOM 784 N ILE A 59 7.770 2.834 0.660 1.00 0.00 N ATOM 785 CA ILE A 59 6.610 1.951 0.646 1.00 0.00 C ATOM 786 C ILE A 59 6.944 0.651 -0.085 1.00 0.00 C ATOM 787 O ILE A 59 6.111 -0.247 -0.189 1.00 0.00 O ATOM 788 CB ILE A 59 5.373 2.633 0.006 1.00 0.00 C ATOM 789 CG1 ILE A 59 4.174 2.555 0.958 1.00 0.00 C ATOM 790 CG2 ILE A 59 5.014 2.022 -1.344 1.00 0.00 C ATOM 791 CD1 ILE A 59 3.629 1.155 1.147 1.00 0.00 C ATOM 0 H ILE A 59 7.803 3.508 -0.105 1.00 0.00 H new ATOM 0 HA ILE A 59 6.356 1.722 1.681 1.00 0.00 H new ATOM 0 HB ILE A 59 5.631 3.678 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.467 2.954 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.378 3.195 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.142 2.532 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.855 2.134 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.789 0.963 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.783 1.184 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.303 0.759 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.408 0.514 1.558 1.00 0.00 H new ATOM 795 N THR A 60 8.174 0.560 -0.587 1.00 0.00 N ATOM 796 CA THR A 60 8.617 -0.629 -1.302 1.00 0.00 C ATOM 797 C THR A 60 9.488 -1.514 -0.413 1.00 0.00 C ATOM 798 O THR A 60 10.313 -2.281 -0.909 1.00 0.00 O ATOM 799 CB THR A 60 9.393 -0.233 -2.560 1.00 0.00 C ATOM 800 OG1 THR A 60 9.082 1.095 -2.942 1.00 0.00 O ATOM 801 CG2 THR A 60 9.110 -1.130 -3.746 1.00 0.00 C ATOM 0 H THR A 60 8.878 1.294 -0.511 1.00 0.00 H new ATOM 0 HA THR A 60 7.732 -1.196 -1.589 1.00 0.00 H new ATOM 0 HB THR A 60 10.445 -0.332 -2.294 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.303 1.223 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.692 -0.793 -4.604 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.385 -2.156 -3.500 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.048 -1.088 -3.989 1.00 0.00 H new ATOM 806 N LYS A 61 9.300 -1.408 0.903 1.00 0.00 N ATOM 807 CA LYS A 61 10.077 -2.209 1.844 1.00 0.00 C ATOM 808 C LYS A 61 9.164 -3.038 2.751 1.00 0.00 C ATOM 809 O LYS A 61 9.233 -4.267 2.748 1.00 0.00 O ATOM 810 CB LYS A 61 11.049 -1.302 2.643 1.00 0.00 C ATOM 811 CG LYS A 61 10.670 -1.001 4.097 1.00 0.00 C ATOM 812 CD LYS A 61 9.956 0.341 4.231 1.00 0.00 C ATOM 813 CE LYS A 61 10.119 0.938 5.623 1.00 0.00 C ATOM 814 NZ LYS A 61 10.158 -0.106 6.686 1.00 0.00 N ATOM 0 H LYS A 61 8.622 -0.781 1.337 1.00 0.00 H new ATOM 0 HA LYS A 61 10.682 -2.923 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.033 -1.770 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.144 -0.354 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.026 -1.795 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.569 -0.998 4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.350 1.037 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.896 0.211 4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.037 1.524 5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.295 1.624 5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.692 0.254 7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.662 -0.958 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.147 -0.344 6.903 1.00 0.00 H new ATOM 828 N ARG A 62 8.313 -2.370 3.521 1.00 0.00 N ATOM 829 CA ARG A 62 7.398 -3.061 4.421 1.00 0.00 C ATOM 830 C ARG A 62 6.147 -3.542 3.687 1.00 0.00 C ATOM 831 O ARG A 62 5.466 -4.459 4.143 1.00 0.00 O ATOM 832 CB ARG A 62 7.015 -2.152 5.588 1.00 0.00 C ATOM 833 CG ARG A 62 6.266 -2.870 6.699 1.00 0.00 C ATOM 834 CD ARG A 62 7.219 -3.425 7.747 1.00 0.00 C ATOM 835 NE ARG A 62 6.762 -4.708 8.277 1.00 0.00 N ATOM 836 CZ ARG A 62 7.177 -5.224 9.433 1.00 0.00 C ATOM 837 NH1 ARG A 62 8.060 -4.574 10.180 1.00 0.00 N ATOM 838 NH2 ARG A 62 6.707 -6.394 9.841 1.00 0.00 N ATOM 0 H ARG A 62 8.238 -1.353 3.540 1.00 0.00 H new ATOM 0 HA ARG A 62 7.912 -3.940 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.919 -1.705 6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.398 -1.335 5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.566 -2.181 7.171 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.676 -3.683 6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.210 -3.546 7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.317 -2.709 8.563 1.00 0.00 H new ATOM 0 HE ARG A 62 6.085 -5.240 7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.425 -3.673 9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.373 -4.975 11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.028 -6.898 9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.024 -6.790 10.726 1.00 0.00 H new ATOM 852 N LEU A 63 5.850 -2.920 2.548 1.00 0.00 N ATOM 853 CA LEU A 63 4.682 -3.294 1.759 1.00 0.00 C ATOM 854 C LEU A 63 4.843 -4.713 1.241 1.00 0.00 C ATOM 855 O LEU A 63 4.001 -5.574 1.492 1.00 0.00 O ATOM 856 CB LEU A 63 4.493 -2.300 0.599 1.00 0.00 C ATOM 857 CG LEU A 63 3.175 -2.384 -0.184 1.00 0.00 C ATOM 858 CD1 LEU A 63 2.830 -3.822 -0.534 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.042 -1.727 0.591 1.00 0.00 C ATOM 0 H LEU A 63 6.401 -2.158 2.153 1.00 0.00 H new ATOM 0 HA LEU A 63 3.792 -3.258 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.585 -1.291 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.314 -2.440 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 63 3.309 -1.839 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.892 -3.847 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.624 -4.248 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.726 -4.404 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.119 -1.799 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.914 -2.233 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.281 -0.678 0.765 1.00 0.00 H new ATOM 865 N SER A 64 5.935 -4.957 0.529 1.00 0.00 N ATOM 866 CA SER A 64 6.199 -6.285 0.000 1.00 0.00 C ATOM 867 C SER A 64 6.552 -7.229 1.143 1.00 0.00 C ATOM 868 O SER A 64 6.109 -8.379 1.181 1.00 0.00 O ATOM 869 CB SER A 64 7.324 -6.247 -1.035 1.00 0.00 C ATOM 870 OG SER A 64 8.068 -5.046 -0.939 1.00 0.00 O ATOM 0 H SER A 64 6.645 -4.259 0.307 1.00 0.00 H new ATOM 0 HA SER A 64 5.301 -6.649 -0.499 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.986 -7.101 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.904 -6.338 -2.036 1.00 0.00 H new ATOM 0 HG SER A 64 8.782 -5.049 -1.611 1.00 0.00 H new ATOM 876 N ASP A 65 7.334 -6.721 2.094 1.00 0.00 N ATOM 877 CA ASP A 65 7.723 -7.509 3.254 1.00 0.00 C ATOM 878 C ASP A 65 6.483 -7.962 4.013 1.00 0.00 C ATOM 879 O ASP A 65 6.372 -9.122 4.407 1.00 0.00 O ATOM 880 CB ASP A 65 8.637 -6.699 4.175 1.00 0.00 C ATOM 881 CG ASP A 65 9.191 -7.530 5.315 1.00 0.00 C ATOM 882 OD1 ASP A 65 8.410 -8.285 5.935 1.00 0.00 O ATOM 883 OD2 ASP A 65 10.405 -7.427 5.591 1.00 0.00 O ATOM 0 H ASP A 65 7.707 -5.772 2.081 1.00 0.00 H new ATOM 0 HA ASP A 65 8.272 -8.386 2.910 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.463 -6.288 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.082 -5.854 4.581 1.00 0.00 H new ATOM 888 N ASP A 66 5.539 -7.039 4.199 1.00 0.00 N ATOM 889 CA ASP A 66 4.296 -7.354 4.889 1.00 0.00 C ATOM 890 C ASP A 66 3.322 -8.041 3.936 1.00 0.00 C ATOM 891 O ASP A 66 2.399 -8.727 4.365 1.00 0.00 O ATOM 892 CB ASP A 66 3.662 -6.082 5.454 1.00 0.00 C ATOM 893 CG ASP A 66 2.661 -6.372 6.554 1.00 0.00 C ATOM 894 OD1 ASP A 66 2.177 -7.522 6.628 1.00 0.00 O ATOM 895 OD2 ASP A 66 2.361 -5.451 7.341 1.00 0.00 O ATOM 0 H ASP A 66 5.614 -6.073 3.882 1.00 0.00 H new ATOM 0 HA ASP A 66 4.521 -8.030 5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.445 -5.431 5.842 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.166 -5.539 4.650 1.00 0.00 H new ATOM 900 N ASP A 67 3.543 -7.843 2.636 1.00 0.00 N ATOM 901 CA ASP A 67 2.700 -8.426 1.602 1.00 0.00 C ATOM 902 C ASP A 67 2.729 -9.954 1.645 1.00 0.00 C ATOM 903 O ASP A 67 1.902 -10.614 1.017 1.00 0.00 O ATOM 904 CB ASP A 67 3.158 -7.927 0.228 1.00 0.00 C ATOM 905 CG ASP A 67 2.736 -8.837 -0.912 1.00 0.00 C ATOM 906 OD1 ASP A 67 1.561 -9.252 -0.934 1.00 0.00 O ATOM 907 OD2 ASP A 67 3.584 -9.136 -1.779 1.00 0.00 O ATOM 0 H ASP A 67 4.310 -7.275 2.275 1.00 0.00 H new ATOM 0 HA ASP A 67 1.672 -8.113 1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.752 -6.930 0.057 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.244 -7.834 0.226 1.00 0.00 H new ATOM 912 N ARG A 68 3.683 -10.515 2.384 1.00 0.00 N ATOM 913 CA ARG A 68 3.810 -11.966 2.497 1.00 0.00 C ATOM 914 C ARG A 68 2.451 -12.613 2.732 1.00 0.00 C ATOM 915 O ARG A 68 2.223 -13.759 2.347 1.00 0.00 O ATOM 916 CB ARG A 68 4.776 -12.327 3.628 1.00 0.00 C ATOM 917 CG ARG A 68 6.239 -12.089 3.284 1.00 0.00 C ATOM 918 CD ARG A 68 6.609 -12.701 1.942 1.00 0.00 C ATOM 919 NE ARG A 68 7.952 -13.277 1.954 1.00 0.00 N ATOM 920 CZ ARG A 68 8.595 -13.681 0.860 1.00 0.00 C ATOM 921 NH1 ARG A 68 8.021 -13.576 -0.332 1.00 0.00 N ATOM 922 NH2 ARG A 68 9.814 -14.192 0.960 1.00 0.00 N ATOM 0 H ARG A 68 4.378 -9.988 2.913 1.00 0.00 H new ATOM 0 HA ARG A 68 4.210 -12.349 1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.520 -11.743 4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.640 -13.376 3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.438 -11.018 3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.870 -12.515 4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.885 -13.474 1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.549 -11.937 1.167 1.00 0.00 H new ATOM 0 HE ARG A 68 8.424 -13.375 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.083 -13.184 -0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.518 -13.887 -1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.259 -14.275 1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.307 -14.502 0.123 1.00 0.00 H new ATOM 936 N VAL A 69 1.549 -11.857 3.351 1.00 0.00 N ATOM 937 CA VAL A 69 0.196 -12.332 3.629 1.00 0.00 C ATOM 938 C VAL A 69 -0.367 -13.134 2.461 1.00 0.00 C ATOM 939 O VAL A 69 -0.752 -14.294 2.614 1.00 0.00 O ATOM 940 CB VAL A 69 -0.772 -11.162 3.897 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.099 -11.065 5.380 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.205 -9.846 3.372 1.00 0.00 C ATOM 0 H VAL A 69 1.732 -10.906 3.672 1.00 0.00 H new ATOM 0 HA VAL A 69 0.276 -12.963 4.514 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.698 -11.360 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.783 -10.233 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.567 -11.992 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.182 -10.900 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.909 -9.039 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.742 -9.634 3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.042 -9.923 2.297 1.00 0.00 H new ATOM 946 N THR A 70 -0.418 -12.496 1.299 1.00 0.00 N ATOM 947 CA THR A 70 -0.940 -13.128 0.101 1.00 0.00 C ATOM 948 C THR A 70 -0.363 -12.469 -1.147 1.00 0.00 C ATOM 949 O THR A 70 0.557 -12.999 -1.769 1.00 0.00 O ATOM 950 CB THR A 70 -2.463 -13.061 0.082 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.001 -13.531 1.304 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.085 -13.868 -1.037 1.00 0.00 C ATOM 0 H THR A 70 -0.102 -11.536 1.164 1.00 0.00 H new ATOM 0 HA THR A 70 -0.640 -14.176 0.108 1.00 0.00 H new ATOM 0 HB THR A 70 -2.703 -12.010 -0.076 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.582 -14.301 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.170 -13.776 -0.992 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.729 -13.494 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.805 -14.916 -0.929 1.00 0.00 H new ATOM 957 N TRP A 71 -0.889 -11.298 -1.497 1.00 0.00 N ATOM 958 CA TRP A 71 -0.394 -10.566 -2.658 1.00 0.00 C ATOM 959 C TRP A 71 -0.563 -9.072 -2.472 1.00 0.00 C ATOM 960 O TRP A 71 -1.490 -8.609 -1.805 1.00 0.00 O ATOM 961 CB TRP A 71 -1.087 -11.012 -3.946 1.00 0.00 C ATOM 962 CG TRP A 71 -2.510 -10.566 -4.044 1.00 0.00 C ATOM 963 CD1 TRP A 71 -3.597 -11.260 -3.624 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.001 -9.333 -4.588 1.00 0.00 C ATOM 965 NE1 TRP A 71 -4.743 -10.548 -3.878 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.403 -9.358 -4.468 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.396 -8.212 -5.167 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.209 -8.308 -4.904 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -3.198 -7.169 -5.597 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.591 -7.225 -5.463 1.00 0.00 C ATOM 0 H TRP A 71 -1.651 -10.839 -0.998 1.00 0.00 H new ATOM 0 HA TRP A 71 0.668 -10.793 -2.748 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.533 -10.623 -4.800 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.050 -12.099 -4.011 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.566 -12.233 -3.157 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.692 -10.854 -3.663 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.323 -8.161 -5.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.284 -8.349 -4.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.742 -6.298 -6.043 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -5.189 -6.395 -5.809 1.00 0.00 H new ATOM 981 N ALA A 72 0.359 -8.330 -3.057 1.00 0.00 N ATOM 982 CA ALA A 72 0.352 -6.885 -2.959 1.00 0.00 C ATOM 983 C ALA A 72 0.776 -6.236 -4.273 1.00 0.00 C ATOM 984 O ALA A 72 1.836 -6.546 -4.816 1.00 0.00 O ATOM 985 CB ALA A 72 1.271 -6.460 -1.829 1.00 0.00 C ATOM 0 H ALA A 72 1.128 -8.710 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.664 -6.551 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.271 -5.373 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.920 -6.893 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.283 -6.809 -2.033 1.00 0.00 H new ATOM 991 N GLU A 73 -0.061 -5.335 -4.778 1.00 0.00 N ATOM 992 CA GLU A 73 0.225 -4.640 -6.028 1.00 0.00 C ATOM 993 C GLU A 73 -0.310 -3.214 -5.984 1.00 0.00 C ATOM 994 O GLU A 73 -1.344 -2.947 -5.373 1.00 0.00 O ATOM 995 CB GLU A 73 -0.392 -5.394 -7.207 1.00 0.00 C ATOM 996 CG GLU A 73 0.101 -4.917 -8.562 1.00 0.00 C ATOM 997 CD GLU A 73 1.412 -5.564 -8.967 1.00 0.00 C ATOM 998 OE1 GLU A 73 2.470 -5.115 -8.479 1.00 0.00 O ATOM 999 OE2 GLU A 73 1.379 -6.520 -9.770 1.00 0.00 O ATOM 0 H GLU A 73 -0.943 -5.069 -4.340 1.00 0.00 H new ATOM 0 HA GLU A 73 1.306 -4.602 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.171 -6.456 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.476 -5.289 -7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.655 -5.134 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.226 -3.834 -8.538 1.00 0.00 H new ATOM 1006 N GLN A 74 0.399 -2.296 -6.634 1.00 0.00 N ATOM 1007 CA GLN A 74 -0.013 -0.898 -6.659 1.00 0.00 C ATOM 1008 C GLN A 74 -0.828 -0.591 -7.910 1.00 0.00 C ATOM 1009 O GLN A 74 -0.687 -1.258 -8.935 1.00 0.00 O ATOM 1010 CB GLN A 74 1.205 0.023 -6.590 1.00 0.00 C ATOM 1011 CG GLN A 74 0.997 1.239 -5.702 1.00 0.00 C ATOM 1012 CD GLN A 74 2.258 1.649 -4.967 1.00 0.00 C ATOM 1013 OE1 GLN A 74 3.045 0.804 -4.540 1.00 0.00 O ATOM 1014 NE2 GLN A 74 2.457 2.954 -4.816 1.00 0.00 N ATOM 0 H GLN A 74 1.257 -2.494 -7.148 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.640 -0.719 -5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.059 -0.545 -6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 74 1.455 0.357 -7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.649 2.073 -6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 74 0.212 1.024 -4.977 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.778 3.620 -5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.288 3.290 -4.330 1.00 0.00 H new ATOM 1021 N GLN A 75 -1.682 0.425 -7.818 1.00 0.00 N ATOM 1022 CA GLN A 75 -2.519 0.822 -8.942 1.00 0.00 C ATOM 1023 C GLN A 75 -2.337 2.303 -9.248 1.00 0.00 C ATOM 1024 O GLN A 75 -3.115 3.143 -8.793 1.00 0.00 O ATOM 1025 CB GLN A 75 -3.990 0.522 -8.640 1.00 0.00 C ATOM 1026 CG GLN A 75 -4.830 0.279 -9.883 1.00 0.00 C ATOM 1027 CD GLN A 75 -6.006 1.232 -9.988 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -5.971 2.338 -9.450 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -7.054 0.806 -10.682 1.00 0.00 N ATOM 0 H GLN A 75 -1.811 0.987 -6.977 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.215 0.248 -9.817 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -4.048 -0.355 -7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.415 1.356 -8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.202 0.384 -10.768 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.198 -0.747 -9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.039 -0.119 -11.111 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.874 1.404 -10.786 1.00 0.00 H new ATOM 1036 N TYR A 76 -1.300 2.613 -10.016 1.00 0.00 N ATOM 1037 CA TYR A 76 -1.000 3.990 -10.385 1.00 0.00 C ATOM 1038 C TYR A 76 -2.076 4.557 -11.304 1.00 0.00 C ATOM 1039 O TYR A 76 -2.593 5.644 -11.059 1.00 99.99 O ATOM 1040 CB TYR A 76 0.364 4.057 -11.073 1.00 0.00 C ATOM 1041 CG TYR A 76 1.534 3.916 -10.123 1.00 0.00 C ATOM 1042 CD1 TYR A 76 1.507 3.005 -9.074 1.00 0.00 C ATOM 1043 CD2 TYR A 76 2.667 4.701 -10.277 1.00 0.00 C ATOM 1044 CE1 TYR A 76 2.577 2.884 -8.207 1.00 0.00 C ATOM 1045 CE2 TYR A 76 3.738 4.588 -9.419 1.00 0.00 C ATOM 1046 CZ TYR A 76 3.691 3.678 -8.384 1.00 0.00 C ATOM 1047 OH TYR A 76 4.758 3.563 -7.523 1.00 0.00 O ATOM 0 H TYR A 76 -0.650 1.925 -10.397 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.978 4.592 -9.476 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.421 3.269 -11.824 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.448 5.007 -11.600 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.636 2.382 -8.934 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.710 5.415 -11.086 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.541 2.172 -7.396 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.611 5.209 -9.556 1.00 0.00 H new ATOM 0 HH TYR A 76 5.461 4.192 -7.788 1.00 0.00 H new TER 1057 TYR A 76