USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1136 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 25 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 47 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.96) USER MOD Set 2.1: B 21 GLN : amide:sc= 0.496 K(o=0.75,f=-0.61) USER MOD Set 2.2: B 35 TYR OH : rot 180:sc= 0.259 USER MOD Set 3.1: B 4 ASN : amide:sc= -0.0878 K(o=-0.088,f=-2.8) USER MOD Set 3.2: B 6 MET CE :methyl -137:sc= 0 (180deg=0) USER MOD Set 4.1: A 51 TYR OH : rot 165:sc= 0 USER MOD Set 4.2: A 55 GLN : amide:sc= 1.03 K(o=1,f=0.013) USER MOD Set 5.1: A 21 GLN : amide:sc= 0.408 K(o=3.6,f=2) USER MOD Set 5.2: A 35 TYR OH : rot -103:sc= 1.21 USER MOD Set 5.3: B 61 LYS NZ :NH3+ -148:sc= 1.99 (180deg=-0.0817) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.25 (180deg=-0.935) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= 0.592 F(o=-0.059,f=0.59) USER MOD Single : A 6 MET CE :methyl -140:sc= -0.149 (180deg=-0.705) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc=-0.00355 X(o=-0.0036,f=-0.3) USER MOD Single : A 12 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 47 ASN : amide:sc= 0.0986 K(o=0.099,f=-0.5) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00123 X(o=-0.0012,f=-0.0012) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.27) USER MOD Single : A 68 HIS : no HE2:sc= 0.29 K(o=0.29,f=-2.8!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -121:sc= 0.0256 (180deg=-0.0994) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 ASN : amide:sc= 0.472 X(o=0.47,f=0) USER MOD Single : B 12 HIS : no HD1:sc= -0.0657 X(o=-0.066,f=-0.014) USER MOD Single : B 14 LYS NZ :NH3+ -170:sc= -0.0111 (180deg=-0.1) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0.366 USER MOD Single : B 30 THR OG1 : rot -28:sc= 1.03 USER MOD Single : B 51 TYR OH : rot 41:sc= 0.309 USER MOD Single : B 55 GLN :FLIP amide:sc= -0.435 F(o=-4.1!,f=-0.44) USER MOD Single : B 62 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : B 64 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.43) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : B 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 70 HIS : no HE2:sc= 0.527 K(o=0.53,f=-3!) USER MOD Single : B 71 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.08) USER MOD Single : B 72 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.440 -23.391 -6.369 1.00 0.00 N ATOM 2 CA MET A 1 46.613 -23.495 -7.835 1.00 0.00 C ATOM 3 C MET A 1 45.380 -24.118 -8.475 1.00 0.00 C ATOM 4 O MET A 1 45.045 -25.273 -8.211 1.00 0.00 O ATOM 5 CB MET A 1 47.849 -24.340 -8.161 1.00 0.00 C ATOM 6 CG MET A 1 48.179 -24.407 -9.644 1.00 0.00 C ATOM 7 SD MET A 1 49.645 -25.402 -9.983 1.00 0.00 S ATOM 8 CE MET A 1 50.869 -24.552 -8.988 1.00 0.00 C ATOM 0 H1 MET A 1 47.290 -22.964 -5.949 1.00 0.00 H new ATOM 0 H2 MET A 1 45.613 -22.796 -6.158 1.00 0.00 H new ATOM 0 H3 MET A 1 46.295 -24.340 -5.968 1.00 0.00 H new ATOM 0 HA MET A 1 46.748 -22.491 -8.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.707 -23.932 -7.627 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.693 -25.352 -7.788 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.329 -24.824 -10.183 1.00 0.00 H new ATOM 0 HG3 MET A 1 48.334 -23.397 -10.024 1.00 0.00 H new ATOM 0 HE1 MET A 1 51.867 -24.802 -9.347 1.00 0.00 H new ATOM 0 HE2 MET A 1 50.716 -23.476 -9.064 1.00 0.00 H new ATOM 0 HE3 MET A 1 50.770 -24.860 -7.947 1.00 0.00 H new ATOM 20 N VAL A 2 44.705 -23.344 -9.312 1.00 0.00 N ATOM 21 CA VAL A 2 43.515 -23.813 -10.004 1.00 0.00 C ATOM 22 C VAL A 2 43.687 -23.702 -11.511 1.00 0.00 C ATOM 23 O VAL A 2 44.673 -23.143 -11.996 1.00 0.00 O ATOM 24 CB VAL A 2 42.254 -23.028 -9.581 1.00 0.00 C ATOM 25 CG1 VAL A 2 41.902 -23.316 -8.132 1.00 0.00 C ATOM 26 CG2 VAL A 2 42.445 -21.532 -9.800 1.00 0.00 C ATOM 0 H VAL A 2 44.964 -22.382 -9.529 1.00 0.00 H new ATOM 0 HA VAL A 2 43.382 -24.858 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 2 41.425 -23.359 -10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 2 41.011 -22.753 -7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 2 41.710 -24.382 -8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 2 42.732 -23.020 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 2 41.543 -21.001 -9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 2 43.290 -21.182 -9.207 1.00 0.00 H new ATOM 0 HG23 VAL A 2 42.639 -21.341 -10.855 1.00 0.00 H new ATOM 36 N GLU A 3 42.729 -24.236 -12.247 1.00 0.00 N ATOM 37 CA GLU A 3 42.766 -24.189 -13.695 1.00 0.00 C ATOM 38 C GLU A 3 41.489 -23.560 -14.232 1.00 0.00 C ATOM 39 O GLU A 3 40.468 -23.504 -13.539 1.00 0.00 O ATOM 40 CB GLU A 3 42.952 -25.593 -14.291 1.00 0.00 C ATOM 41 CG GLU A 3 41.794 -26.548 -14.030 1.00 0.00 C ATOM 42 CD GLU A 3 41.693 -26.976 -12.579 1.00 0.00 C ATOM 43 OE1 GLU A 3 42.371 -27.950 -12.196 1.00 0.00 O ATOM 44 OE2 GLU A 3 40.947 -26.332 -11.811 1.00 0.00 O ATOM 0 H GLU A 3 41.912 -24.710 -11.862 1.00 0.00 H new ATOM 0 HA GLU A 3 43.619 -23.578 -13.991 1.00 0.00 H new ATOM 0 HB2 GLU A 3 43.095 -25.501 -15.368 1.00 0.00 H new ATOM 0 HB3 GLU A 3 43.865 -26.029 -13.884 1.00 0.00 H new ATOM 0 HG2 GLU A 3 40.861 -26.069 -14.327 1.00 0.00 H new ATOM 0 HG3 GLU A 3 41.912 -27.432 -14.656 1.00 0.00 H new ATOM 51 N ASN A 4 41.554 -23.080 -15.457 1.00 0.00 N ATOM 52 CA ASN A 4 40.407 -22.476 -16.110 1.00 0.00 C ATOM 53 C ASN A 4 40.493 -22.662 -17.621 1.00 0.00 C ATOM 54 O ASN A 4 41.340 -22.063 -18.286 1.00 0.00 O ATOM 55 CB ASN A 4 40.271 -20.985 -15.735 1.00 0.00 C ATOM 56 CG ASN A 4 41.595 -20.229 -15.665 1.00 0.00 C ATOM 57 OD1 ASN A 4 41.668 -19.258 -14.765 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 42.543 -20.511 -16.398 1.00 0.00 N flip ATOM 0 H ASN A 4 42.399 -23.097 -16.028 1.00 0.00 H new ATOM 0 HA ASN A 4 39.509 -22.983 -15.757 1.00 0.00 H new ATOM 0 HB2 ASN A 4 39.626 -20.497 -16.465 1.00 0.00 H new ATOM 0 HB3 ASN A 4 39.772 -20.910 -14.769 1.00 0.00 H new ATOM 0 HD21 ASN A 4 42.454 -21.264 -17.080 1.00 0.00 H new ATOM 0 HD22 ASN A 4 43.418 -19.992 -16.323 1.00 0.00 H new ATOM 65 N PRO A 5 39.618 -23.524 -18.177 1.00 0.00 N ATOM 66 CA PRO A 5 39.572 -23.801 -19.619 1.00 0.00 C ATOM 67 C PRO A 5 39.392 -22.526 -20.432 1.00 0.00 C ATOM 68 O PRO A 5 39.914 -22.396 -21.537 1.00 0.00 O ATOM 69 CB PRO A 5 38.355 -24.723 -19.783 1.00 0.00 C ATOM 70 CG PRO A 5 37.597 -24.620 -18.501 1.00 0.00 C ATOM 71 CD PRO A 5 38.612 -24.303 -17.443 1.00 0.00 C ATOM 0 HA PRO A 5 40.498 -24.249 -19.978 1.00 0.00 H new ATOM 0 HB2 PRO A 5 37.740 -24.413 -20.628 1.00 0.00 H new ATOM 0 HB3 PRO A 5 38.665 -25.751 -19.974 1.00 0.00 H new ATOM 0 HG2 PRO A 5 36.837 -23.840 -18.559 1.00 0.00 H new ATOM 0 HG3 PRO A 5 37.080 -25.553 -18.278 1.00 0.00 H new ATOM 0 HD2 PRO A 5 38.177 -23.731 -16.624 1.00 0.00 H new ATOM 0 HD3 PRO A 5 39.039 -25.207 -17.009 1.00 0.00 H new ATOM 79 N MET A 6 38.650 -21.589 -19.866 1.00 0.00 N ATOM 80 CA MET A 6 38.478 -20.273 -20.450 1.00 0.00 C ATOM 81 C MET A 6 38.489 -19.241 -19.337 1.00 0.00 C ATOM 82 O MET A 6 38.232 -19.578 -18.178 1.00 0.00 O ATOM 83 CB MET A 6 37.170 -20.188 -21.244 1.00 0.00 C ATOM 84 CG MET A 6 35.921 -20.417 -20.404 1.00 0.00 C ATOM 85 SD MET A 6 34.401 -20.287 -21.368 1.00 0.00 S ATOM 86 CE MET A 6 34.475 -18.576 -21.893 1.00 0.00 C ATOM 0 H MET A 6 38.150 -21.721 -18.987 1.00 0.00 H new ATOM 0 HA MET A 6 39.296 -20.079 -21.144 1.00 0.00 H new ATOM 0 HB2 MET A 6 37.105 -19.207 -21.714 1.00 0.00 H new ATOM 0 HB3 MET A 6 37.196 -20.925 -22.047 1.00 0.00 H new ATOM 0 HG2 MET A 6 35.972 -21.405 -19.945 1.00 0.00 H new ATOM 0 HG3 MET A 6 35.895 -19.690 -19.593 1.00 0.00 H new ATOM 0 HE1 MET A 6 33.479 -18.136 -21.840 1.00 0.00 H new ATOM 0 HE2 MET A 6 35.151 -18.024 -21.240 1.00 0.00 H new ATOM 0 HE3 MET A 6 34.840 -18.526 -22.919 1.00 0.00 H new ATOM 96 N VAL A 7 38.794 -18.001 -19.670 1.00 0.00 N ATOM 97 CA VAL A 7 38.849 -16.954 -18.667 1.00 0.00 C ATOM 98 C VAL A 7 37.441 -16.491 -18.312 1.00 0.00 C ATOM 99 O VAL A 7 36.864 -15.637 -18.986 1.00 0.00 O ATOM 100 CB VAL A 7 39.691 -15.751 -19.134 1.00 0.00 C ATOM 101 CG1 VAL A 7 39.846 -14.734 -18.012 1.00 0.00 C ATOM 102 CG2 VAL A 7 41.053 -16.210 -19.632 1.00 0.00 C ATOM 0 H VAL A 7 39.006 -17.695 -20.620 1.00 0.00 H new ATOM 0 HA VAL A 7 39.330 -17.375 -17.784 1.00 0.00 H new ATOM 0 HB VAL A 7 39.168 -15.270 -19.961 1.00 0.00 H new ATOM 0 HG11 VAL A 7 40.444 -13.893 -18.363 1.00 0.00 H new ATOM 0 HG12 VAL A 7 38.863 -14.377 -17.706 1.00 0.00 H new ATOM 0 HG13 VAL A 7 40.343 -15.202 -17.162 1.00 0.00 H new ATOM 0 HG21 VAL A 7 41.632 -15.345 -19.957 1.00 0.00 H new ATOM 0 HG22 VAL A 7 41.582 -16.719 -18.827 1.00 0.00 H new ATOM 0 HG23 VAL A 7 40.922 -16.895 -20.470 1.00 0.00 H new ATOM 112 N ILE A 8 36.880 -17.099 -17.279 1.00 0.00 N ATOM 113 CA ILE A 8 35.556 -16.739 -16.800 1.00 0.00 C ATOM 114 C ILE A 8 35.654 -15.715 -15.678 1.00 0.00 C ATOM 115 O ILE A 8 36.680 -15.617 -15.002 1.00 0.00 O ATOM 116 CB ILE A 8 34.773 -17.973 -16.297 1.00 0.00 C ATOM 117 CG1 ILE A 8 35.589 -18.735 -15.245 1.00 0.00 C ATOM 118 CG2 ILE A 8 34.407 -18.880 -17.465 1.00 0.00 C ATOM 119 CD1 ILE A 8 34.861 -19.920 -14.646 1.00 0.00 C ATOM 0 H ILE A 8 37.326 -17.850 -16.753 1.00 0.00 H new ATOM 0 HA ILE A 8 35.016 -16.309 -17.644 1.00 0.00 H new ATOM 0 HB ILE A 8 33.850 -17.633 -15.827 1.00 0.00 H new ATOM 0 HG12 ILE A 8 36.516 -19.083 -15.700 1.00 0.00 H new ATOM 0 HG13 ILE A 8 35.865 -18.048 -14.445 1.00 0.00 H new ATOM 0 HG21 ILE A 8 33.856 -19.745 -17.095 1.00 0.00 H new ATOM 0 HG22 ILE A 8 33.787 -18.330 -18.172 1.00 0.00 H new ATOM 0 HG23 ILE A 8 35.316 -19.215 -17.964 1.00 0.00 H new ATOM 0 HD11 ILE A 8 35.502 -20.407 -13.911 1.00 0.00 H new ATOM 0 HD12 ILE A 8 33.947 -19.578 -14.160 1.00 0.00 H new ATOM 0 HD13 ILE A 8 34.609 -20.629 -15.435 1.00 0.00 H new ATOM 131 N ASN A 9 34.595 -14.950 -15.492 1.00 0.00 N ATOM 132 CA ASN A 9 34.563 -13.944 -14.446 1.00 0.00 C ATOM 133 C ASN A 9 34.049 -14.536 -13.139 1.00 0.00 C ATOM 134 O ASN A 9 32.852 -14.791 -12.987 1.00 0.00 O ATOM 135 CB ASN A 9 33.693 -12.755 -14.870 1.00 0.00 C ATOM 136 CG ASN A 9 33.676 -11.650 -13.830 1.00 0.00 C ATOM 137 OD1 ASN A 9 32.791 -11.592 -12.976 1.00 0.00 O ATOM 138 ND2 ASN A 9 34.657 -10.764 -13.894 1.00 0.00 N ATOM 0 H ASN A 9 33.744 -15.006 -16.052 1.00 0.00 H new ATOM 0 HA ASN A 9 35.582 -13.591 -14.285 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.063 -12.356 -15.814 1.00 0.00 H new ATOM 0 HB3 ASN A 9 32.674 -13.099 -15.047 1.00 0.00 H new ATOM 0 HD21 ASN A 9 34.698 -9.999 -13.221 1.00 0.00 H new ATOM 0 HD22 ASN A 9 35.372 -10.846 -14.617 1.00 0.00 H new ATOM 145 N ASN A 10 34.964 -14.791 -12.217 1.00 0.00 N ATOM 146 CA ASN A 10 34.599 -15.260 -10.886 1.00 0.00 C ATOM 147 C ASN A 10 34.402 -14.071 -9.957 1.00 0.00 C ATOM 148 O ASN A 10 34.665 -12.930 -10.342 1.00 0.00 O ATOM 149 CB ASN A 10 35.671 -16.198 -10.317 1.00 0.00 C ATOM 150 CG ASN A 10 35.827 -17.473 -11.123 1.00 0.00 C ATOM 151 OD1 ASN A 10 36.617 -17.534 -12.061 1.00 0.00 O ATOM 152 ND2 ASN A 10 35.078 -18.502 -10.758 1.00 0.00 N ATOM 0 H ASN A 10 35.967 -14.681 -12.365 1.00 0.00 H new ATOM 0 HA ASN A 10 33.667 -15.819 -10.964 1.00 0.00 H new ATOM 0 HB2 ASN A 10 36.626 -15.674 -10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 10 35.415 -16.453 -9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 10 35.145 -19.386 -11.262 1.00 0.00 H new ATOM 0 HD22 ASN A 10 34.434 -18.411 -9.973 1.00 0.00 H new ATOM 159 N TRP A 11 33.946 -14.341 -8.737 1.00 0.00 N ATOM 160 CA TRP A 11 33.680 -13.287 -7.759 1.00 0.00 C ATOM 161 C TRP A 11 34.939 -12.478 -7.471 1.00 0.00 C ATOM 162 O TRP A 11 34.887 -11.251 -7.374 1.00 0.00 O ATOM 163 CB TRP A 11 33.155 -13.884 -6.450 1.00 0.00 C ATOM 164 CG TRP A 11 31.959 -14.769 -6.623 1.00 0.00 C ATOM 165 CD1 TRP A 11 30.869 -14.535 -7.409 1.00 0.00 C ATOM 166 CD2 TRP A 11 31.728 -16.026 -5.978 1.00 0.00 C ATOM 167 NE1 TRP A 11 29.981 -15.576 -7.304 1.00 0.00 N ATOM 168 CE2 TRP A 11 30.483 -16.503 -6.428 1.00 0.00 C ATOM 169 CE3 TRP A 11 32.456 -16.797 -5.066 1.00 0.00 C ATOM 170 CZ2 TRP A 11 29.950 -17.715 -5.997 1.00 0.00 C ATOM 171 CZ3 TRP A 11 31.925 -18.000 -4.639 1.00 0.00 C ATOM 172 CH2 TRP A 11 30.682 -18.448 -5.105 1.00 0.00 C ATOM 0 H TRP A 11 33.752 -15.284 -8.400 1.00 0.00 H new ATOM 0 HA TRP A 11 32.924 -12.628 -8.185 1.00 0.00 H new ATOM 0 HB2 TRP A 11 33.953 -14.457 -5.977 1.00 0.00 H new ATOM 0 HB3 TRP A 11 32.899 -13.072 -5.769 1.00 0.00 H new ATOM 0 HD1 TRP A 11 30.726 -13.659 -8.024 1.00 0.00 H new ATOM 0 HE1 TRP A 11 29.091 -15.648 -7.798 1.00 0.00 H new ATOM 0 HE3 TRP A 11 33.415 -16.459 -4.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 28.992 -18.064 -6.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 32.477 -18.604 -3.935 1.00 0.00 H new ATOM 0 HH2 TRP A 11 30.294 -19.392 -4.752 1.00 0.00 H new ATOM 183 N HIS A 12 36.062 -13.183 -7.342 1.00 0.00 N ATOM 184 CA HIS A 12 37.357 -12.579 -7.035 1.00 0.00 C ATOM 185 C HIS A 12 37.335 -11.976 -5.633 1.00 0.00 C ATOM 186 O HIS A 12 37.667 -12.646 -4.660 1.00 0.00 O ATOM 187 CB HIS A 12 37.741 -11.516 -8.073 1.00 0.00 C ATOM 188 CG HIS A 12 39.219 -11.352 -8.255 1.00 0.00 C ATOM 189 ND1 HIS A 12 40.038 -10.708 -7.350 1.00 0.00 N ATOM 190 CD2 HIS A 12 40.028 -11.763 -9.259 1.00 0.00 C ATOM 191 CE1 HIS A 12 41.280 -10.730 -7.793 1.00 0.00 C ATOM 192 NE2 HIS A 12 41.300 -11.364 -8.946 1.00 0.00 N ATOM 0 H HIS A 12 36.099 -14.197 -7.448 1.00 0.00 H new ATOM 0 HA HIS A 12 38.113 -13.363 -7.072 1.00 0.00 H new ATOM 0 HB2 HIS A 12 37.294 -11.780 -9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 12 37.313 -10.559 -7.774 1.00 0.00 H new ATOM 0 HD1 HIS A 12 39.731 -10.282 -6.476 1.00 0.00 H new ATOM 0 HD2 HIS A 12 39.726 -12.305 -10.143 1.00 0.00 H new ATOM 0 HE1 HIS A 12 42.136 -10.300 -7.294 1.00 0.00 H new ATOM 201 N ASP A 13 36.911 -10.721 -5.539 1.00 0.00 N ATOM 202 CA ASP A 13 36.784 -10.033 -4.258 1.00 0.00 C ATOM 203 C ASP A 13 35.576 -9.116 -4.313 1.00 0.00 C ATOM 204 O ASP A 13 35.409 -8.367 -5.280 1.00 0.00 O ATOM 205 CB ASP A 13 38.029 -9.196 -3.930 1.00 0.00 C ATOM 206 CG ASP A 13 39.320 -9.985 -3.967 1.00 0.00 C ATOM 207 OD1 ASP A 13 39.540 -10.832 -3.078 1.00 0.00 O ATOM 208 OD2 ASP A 13 40.122 -9.761 -4.897 1.00 0.00 O ATOM 0 H ASP A 13 36.646 -10.153 -6.344 1.00 0.00 H new ATOM 0 HA ASP A 13 36.671 -10.787 -3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 13 38.098 -8.370 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 13 37.910 -8.757 -2.939 1.00 0.00 H new ATOM 213 N LYS A 14 34.736 -9.169 -3.294 1.00 0.00 N ATOM 214 CA LYS A 14 33.524 -8.364 -3.274 1.00 0.00 C ATOM 215 C LYS A 14 33.175 -7.938 -1.853 1.00 0.00 C ATOM 216 O LYS A 14 33.330 -8.710 -0.908 1.00 0.00 O ATOM 217 CB LYS A 14 32.362 -9.144 -3.900 1.00 0.00 C ATOM 218 CG LYS A 14 31.060 -8.360 -3.972 1.00 0.00 C ATOM 219 CD LYS A 14 30.016 -9.087 -4.805 1.00 0.00 C ATOM 220 CE LYS A 14 29.602 -10.407 -4.174 1.00 0.00 C ATOM 221 NZ LYS A 14 28.749 -11.204 -5.091 1.00 0.00 N ATOM 0 H LYS A 14 34.869 -9.758 -2.472 1.00 0.00 H new ATOM 0 HA LYS A 14 33.701 -7.463 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 14 32.645 -9.452 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 14 32.195 -10.054 -3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.675 -8.199 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 14 31.250 -7.377 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 14 29.139 -8.451 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 14 30.413 -9.271 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 14 30.491 -10.981 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 14 29.061 -10.215 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 28.484 -12.098 -4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 27.890 -10.666 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 29.275 -11.408 -5.965 1.00 0.00 H new ATOM 235 N LEU A 15 32.713 -6.704 -1.713 1.00 0.00 N ATOM 236 CA LEU A 15 32.321 -6.171 -0.419 1.00 0.00 C ATOM 237 C LEU A 15 30.933 -5.552 -0.512 1.00 0.00 C ATOM 238 O LEU A 15 30.430 -5.303 -1.607 1.00 0.00 O ATOM 239 CB LEU A 15 33.331 -5.126 0.085 1.00 0.00 C ATOM 240 CG LEU A 15 33.380 -3.799 -0.690 1.00 0.00 C ATOM 241 CD1 LEU A 15 34.153 -2.756 0.100 1.00 0.00 C ATOM 242 CD2 LEU A 15 34.014 -3.982 -2.061 1.00 0.00 C ATOM 0 H LEU A 15 32.600 -6.050 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 15 32.304 -6.994 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 15 33.104 -4.905 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 15 34.325 -5.572 0.063 1.00 0.00 H new ATOM 0 HG LEU A 15 32.354 -3.458 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 15 34.180 -1.821 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.663 -2.590 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 15 35.171 -3.108 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.034 -3.026 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.032 -4.353 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.431 -4.699 -2.639 1.00 0.00 H new ATOM 254 N THR A 16 30.315 -5.318 0.631 1.00 0.00 N ATOM 255 CA THR A 16 28.998 -4.709 0.679 1.00 0.00 C ATOM 256 C THR A 16 29.097 -3.216 0.977 1.00 0.00 C ATOM 257 O THR A 16 29.943 -2.789 1.764 1.00 0.00 O ATOM 258 CB THR A 16 28.123 -5.398 1.739 1.00 0.00 C ATOM 259 OG1 THR A 16 28.944 -5.841 2.834 1.00 0.00 O ATOM 260 CG2 THR A 16 27.378 -6.581 1.143 1.00 0.00 C ATOM 0 H THR A 16 30.707 -5.542 1.545 1.00 0.00 H new ATOM 0 HA THR A 16 28.535 -4.837 -0.300 1.00 0.00 H new ATOM 0 HB THR A 16 27.390 -4.677 2.101 1.00 0.00 H new ATOM 0 HG1 THR A 16 28.383 -6.278 3.508 1.00 0.00 H new ATOM 0 HG21 THR A 16 26.766 -7.051 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 16 26.738 -6.236 0.331 1.00 0.00 H new ATOM 0 HG23 THR A 16 28.095 -7.305 0.757 1.00 0.00 H new ATOM 268 N GLU A 17 28.253 -2.427 0.329 1.00 0.00 N ATOM 269 CA GLU A 17 28.237 -0.985 0.539 1.00 0.00 C ATOM 270 C GLU A 17 27.720 -0.669 1.938 1.00 0.00 C ATOM 271 O GLU A 17 26.623 -1.091 2.309 1.00 0.00 O ATOM 272 CB GLU A 17 27.350 -0.272 -0.494 1.00 0.00 C ATOM 273 CG GLU A 17 27.346 -0.902 -1.881 1.00 0.00 C ATOM 274 CD GLU A 17 26.450 -2.121 -1.956 1.00 0.00 C ATOM 275 OE1 GLU A 17 25.214 -1.952 -1.967 1.00 0.00 O ATOM 276 OE2 GLU A 17 26.975 -3.253 -1.955 1.00 0.00 O ATOM 0 H GLU A 17 27.568 -2.761 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 17 29.260 -0.625 0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 17 26.327 -0.249 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.680 0.763 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 17 27.014 -0.164 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.363 -1.184 -2.152 1.00 0.00 H new ATOM 283 N THR A 18 28.516 0.052 2.715 1.00 0.00 N ATOM 284 CA THR A 18 28.119 0.447 4.059 1.00 0.00 C ATOM 285 C THR A 18 26.884 1.350 4.008 1.00 0.00 C ATOM 286 O THR A 18 25.794 0.955 4.430 1.00 0.00 O ATOM 287 CB THR A 18 29.268 1.181 4.777 1.00 0.00 C ATOM 288 OG1 THR A 18 30.491 0.453 4.606 1.00 0.00 O ATOM 289 CG2 THR A 18 28.971 1.333 6.262 1.00 0.00 C ATOM 0 H THR A 18 29.442 0.376 2.437 1.00 0.00 H new ATOM 0 HA THR A 18 27.878 -0.458 4.617 1.00 0.00 H new ATOM 0 HB THR A 18 29.366 2.174 4.339 1.00 0.00 H new ATOM 0 HG1 THR A 18 31.219 0.924 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 18 29.797 1.854 6.747 1.00 0.00 H new ATOM 0 HG22 THR A 18 28.053 1.906 6.393 1.00 0.00 H new ATOM 0 HG23 THR A 18 28.850 0.347 6.712 1.00 0.00 H new ATOM 297 N ASP A 19 27.058 2.550 3.472 1.00 0.00 N ATOM 298 CA ASP A 19 25.956 3.497 3.327 1.00 0.00 C ATOM 299 C ASP A 19 26.124 4.269 2.022 1.00 0.00 C ATOM 300 O ASP A 19 25.602 5.366 1.846 1.00 0.00 O ATOM 301 CB ASP A 19 25.920 4.453 4.527 1.00 0.00 C ATOM 302 CG ASP A 19 24.634 5.257 4.609 1.00 0.00 C ATOM 303 OD1 ASP A 19 23.547 4.646 4.655 1.00 0.00 O ATOM 304 OD2 ASP A 19 24.704 6.501 4.655 1.00 0.00 O ATOM 0 H ASP A 19 27.955 2.894 3.128 1.00 0.00 H new ATOM 0 HA ASP A 19 25.010 2.957 3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 19 26.042 3.879 5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 19 26.766 5.137 4.464 1.00 0.00 H new ATOM 309 N VAL A 20 26.859 3.664 1.096 1.00 0.00 N ATOM 310 CA VAL A 20 27.137 4.287 -0.190 1.00 0.00 C ATOM 311 C VAL A 20 25.908 4.227 -1.088 1.00 0.00 C ATOM 312 O VAL A 20 25.393 3.147 -1.386 1.00 0.00 O ATOM 313 CB VAL A 20 28.325 3.609 -0.906 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.655 4.322 -2.209 1.00 0.00 C ATOM 315 CG2 VAL A 20 29.540 3.567 0.005 1.00 0.00 C ATOM 0 H VAL A 20 27.274 2.740 1.214 1.00 0.00 H new ATOM 0 HA VAL A 20 27.399 5.327 0.005 1.00 0.00 H new ATOM 0 HB VAL A 20 28.038 2.586 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 20 29.495 3.824 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.788 4.294 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 20 28.919 5.359 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 20 30.368 3.086 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.825 4.583 0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 20 29.300 3.002 0.906 1.00 0.00 H new ATOM 325 N GLN A 21 25.443 5.392 -1.507 1.00 0.00 N ATOM 326 CA GLN A 21 24.263 5.489 -2.348 1.00 0.00 C ATOM 327 C GLN A 21 24.662 5.528 -3.822 1.00 0.00 C ATOM 328 O GLN A 21 25.683 6.116 -4.186 1.00 0.00 O ATOM 329 CB GLN A 21 23.462 6.746 -1.982 1.00 0.00 C ATOM 330 CG GLN A 21 24.218 8.036 -2.250 1.00 0.00 C ATOM 331 CD GLN A 21 23.516 9.263 -1.709 1.00 0.00 C ATOM 332 OE1 GLN A 21 22.291 9.300 -1.590 1.00 0.00 O ATOM 333 NE2 GLN A 21 24.289 10.289 -1.403 1.00 0.00 N ATOM 0 H GLN A 21 25.869 6.290 -1.276 1.00 0.00 H new ATOM 0 HA GLN A 21 23.640 4.610 -2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.531 6.754 -2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.192 6.703 -0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 21 25.210 7.967 -1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.359 8.150 -3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.300 10.217 -1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.875 11.153 -1.053 1.00 0.00 H new ATOM 342 N ILE A 22 23.879 4.877 -4.661 1.00 0.00 N ATOM 343 CA ILE A 22 24.077 4.960 -6.098 1.00 0.00 C ATOM 344 C ILE A 22 22.884 5.649 -6.743 1.00 0.00 C ATOM 345 O ILE A 22 21.755 5.542 -6.256 1.00 0.00 O ATOM 346 CB ILE A 22 24.272 3.572 -6.753 1.00 0.00 C ATOM 347 CG1 ILE A 22 25.436 2.818 -6.115 1.00 0.00 C ATOM 348 CG2 ILE A 22 24.524 3.721 -8.245 1.00 0.00 C ATOM 349 CD1 ILE A 22 25.772 1.533 -6.842 1.00 0.00 C ATOM 0 H ILE A 22 23.100 4.285 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 22 24.989 5.535 -6.261 1.00 0.00 H new ATOM 0 HB ILE A 22 23.358 3.001 -6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.315 3.462 -6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.190 2.590 -5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 22 24.659 2.736 -8.691 1.00 0.00 H new ATOM 0 HG22 ILE A 22 23.672 4.216 -8.710 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.422 4.318 -8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.607 1.040 -6.343 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.904 0.873 -6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.047 1.759 -7.872 1.00 0.00 H new ATOM 361 N ASP A 23 23.133 6.363 -7.830 1.00 0.00 N ATOM 362 CA ASP A 23 22.073 7.029 -8.557 1.00 0.00 C ATOM 363 C ASP A 23 21.278 6.009 -9.368 1.00 0.00 C ATOM 364 O ASP A 23 21.634 4.827 -9.424 1.00 0.00 O ATOM 365 CB ASP A 23 22.650 8.097 -9.489 1.00 0.00 C ATOM 366 CG ASP A 23 23.255 7.508 -10.747 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.200 6.699 -10.635 1.00 0.00 O ATOM 368 OD2 ASP A 23 22.782 7.854 -11.850 1.00 0.00 O ATOM 0 H ASP A 23 24.064 6.494 -8.226 1.00 0.00 H new ATOM 0 HA ASP A 23 21.411 7.513 -7.839 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.862 8.798 -9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.412 8.666 -8.956 1.00 0.00 H new ATOM 373 N PHE A 24 20.214 6.479 -9.997 1.00 0.00 N ATOM 374 CA PHE A 24 19.323 5.635 -10.779 1.00 0.00 C ATOM 375 C PHE A 24 20.067 4.898 -11.893 1.00 0.00 C ATOM 376 O PHE A 24 19.756 3.747 -12.193 1.00 0.00 O ATOM 377 CB PHE A 24 18.200 6.492 -11.375 1.00 0.00 C ATOM 378 CG PHE A 24 17.211 5.724 -12.207 1.00 0.00 C ATOM 379 CD1 PHE A 24 16.233 4.948 -11.604 1.00 0.00 C ATOM 380 CD2 PHE A 24 17.259 5.776 -13.591 1.00 0.00 C ATOM 381 CE1 PHE A 24 15.322 4.242 -12.364 1.00 0.00 C ATOM 382 CE2 PHE A 24 16.350 5.072 -14.357 1.00 0.00 C ATOM 383 CZ PHE A 24 15.381 4.302 -13.744 1.00 0.00 C ATOM 0 H PHE A 24 19.942 7.462 -9.980 1.00 0.00 H new ATOM 0 HA PHE A 24 18.902 4.881 -10.113 1.00 0.00 H new ATOM 0 HB2 PHE A 24 17.667 6.987 -10.563 1.00 0.00 H new ATOM 0 HB3 PHE A 24 18.644 7.275 -11.990 1.00 0.00 H new ATOM 0 HD1 PHE A 24 16.183 4.895 -10.526 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.016 6.374 -14.077 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.564 3.643 -11.881 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.397 5.124 -15.435 1.00 0.00 H new ATOM 0 HZ PHE A 24 14.671 3.748 -14.341 1.00 0.00 H new ATOM 393 N TYR A 25 21.059 5.550 -12.485 1.00 0.00 N ATOM 394 CA TYR A 25 21.735 4.996 -13.651 1.00 0.00 C ATOM 395 C TYR A 25 22.813 3.987 -13.265 1.00 0.00 C ATOM 396 O TYR A 25 23.329 3.271 -14.126 1.00 0.00 O ATOM 397 CB TYR A 25 22.317 6.117 -14.514 1.00 0.00 C ATOM 398 CG TYR A 25 21.256 6.947 -15.204 1.00 0.00 C ATOM 399 CD1 TYR A 25 20.577 7.953 -14.526 1.00 0.00 C ATOM 400 CD2 TYR A 25 20.926 6.716 -16.533 1.00 0.00 C ATOM 401 CE1 TYR A 25 19.601 8.704 -15.154 1.00 0.00 C ATOM 402 CE2 TYR A 25 19.952 7.463 -17.167 1.00 0.00 C ATOM 403 CZ TYR A 25 19.293 8.455 -16.474 1.00 0.00 C ATOM 404 OH TYR A 25 18.321 9.198 -17.104 1.00 0.00 O ATOM 0 H TYR A 25 21.412 6.457 -12.180 1.00 0.00 H new ATOM 0 HA TYR A 25 20.990 4.456 -14.236 1.00 0.00 H new ATOM 0 HB2 TYR A 25 22.929 6.767 -13.890 1.00 0.00 H new ATOM 0 HB3 TYR A 25 22.977 5.684 -15.266 1.00 0.00 H new ATOM 0 HD1 TYR A 25 20.816 8.151 -13.492 1.00 0.00 H new ATOM 0 HD2 TYR A 25 21.439 5.939 -17.080 1.00 0.00 H new ATOM 0 HE1 TYR A 25 19.083 9.482 -14.613 1.00 0.00 H new ATOM 0 HE2 TYR A 25 19.708 7.270 -18.201 1.00 0.00 H new ATOM 0 HH TYR A 25 18.228 8.896 -18.032 1.00 0.00 H new ATOM 414 N GLY A 26 23.150 3.914 -11.982 1.00 0.00 N ATOM 415 CA GLY A 26 24.076 2.902 -11.531 1.00 0.00 C ATOM 416 C GLY A 26 25.523 3.317 -11.673 1.00 0.00 C ATOM 417 O GLY A 26 26.362 2.512 -12.078 1.00 0.00 O ATOM 0 H GLY A 26 22.799 4.535 -11.253 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.871 2.671 -10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.909 1.986 -12.099 1.00 0.00 H new ATOM 421 N ASP A 27 25.825 4.569 -11.361 1.00 0.00 N ATOM 422 CA ASP A 27 27.211 5.011 -11.331 1.00 0.00 C ATOM 423 C ASP A 27 27.751 4.881 -9.910 1.00 0.00 C ATOM 424 O ASP A 27 28.154 3.792 -9.497 1.00 0.00 O ATOM 425 CB ASP A 27 27.348 6.452 -11.835 1.00 0.00 C ATOM 426 CG ASP A 27 28.794 6.848 -12.064 1.00 0.00 C ATOM 427 OD1 ASP A 27 29.360 6.467 -13.114 1.00 0.00 O ATOM 428 OD2 ASP A 27 29.370 7.546 -11.206 1.00 0.00 O ATOM 0 H ASP A 27 25.140 5.288 -11.128 1.00 0.00 H new ATOM 0 HA ASP A 27 27.795 4.378 -11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.792 6.563 -12.766 1.00 0.00 H new ATOM 0 HB3 ASP A 27 26.898 7.132 -11.111 1.00 0.00 H new ATOM 433 N GLU A 28 27.713 5.980 -9.159 1.00 0.00 N ATOM 434 CA GLU A 28 28.103 5.987 -7.751 1.00 0.00 C ATOM 435 C GLU A 28 28.005 7.405 -7.205 1.00 0.00 C ATOM 436 O GLU A 28 28.570 8.337 -7.776 1.00 0.00 O ATOM 437 CB GLU A 28 29.530 5.461 -7.570 1.00 0.00 C ATOM 438 CG GLU A 28 29.821 4.950 -6.171 1.00 0.00 C ATOM 439 CD GLU A 28 31.248 4.459 -6.019 1.00 0.00 C ATOM 440 OE1 GLU A 28 31.652 3.548 -6.772 1.00 0.00 O ATOM 441 OE2 GLU A 28 31.978 4.984 -5.152 1.00 0.00 O ATOM 0 H GLU A 28 27.411 6.889 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 28 27.427 5.331 -7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.704 4.656 -8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 28 30.234 6.258 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.635 5.746 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.133 4.138 -5.933 1.00 0.00 H new ATOM 448 N VAL A 29 27.279 7.573 -6.112 1.00 0.00 N ATOM 449 CA VAL A 29 27.098 8.888 -5.524 1.00 0.00 C ATOM 450 C VAL A 29 27.865 8.991 -4.212 1.00 0.00 C ATOM 451 O VAL A 29 27.463 8.433 -3.190 1.00 0.00 O ATOM 452 CB VAL A 29 25.608 9.207 -5.293 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.435 10.629 -4.794 1.00 0.00 C ATOM 454 CG2 VAL A 29 24.810 8.992 -6.568 1.00 0.00 C ATOM 0 H VAL A 29 26.807 6.817 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 29 27.491 9.621 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 29 25.230 8.526 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.376 10.833 -4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 29 25.971 10.752 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 29 25.833 11.325 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 29 23.761 9.223 -6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.193 9.646 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 29 24.903 7.953 -6.885 1.00 0.00 H new ATOM 464 N THR A 30 28.981 9.695 -4.257 1.00 0.00 N ATOM 465 CA THR A 30 29.840 9.845 -3.098 1.00 0.00 C ATOM 466 C THR A 30 29.475 11.108 -2.318 1.00 0.00 C ATOM 467 O THR A 30 28.725 11.950 -2.811 1.00 0.00 O ATOM 468 CB THR A 30 31.321 9.905 -3.531 1.00 0.00 C ATOM 469 OG1 THR A 30 31.508 10.950 -4.495 1.00 0.00 O ATOM 470 CG2 THR A 30 31.765 8.573 -4.119 1.00 0.00 C ATOM 0 H THR A 30 29.316 10.176 -5.092 1.00 0.00 H new ATOM 0 HA THR A 30 29.695 8.980 -2.451 1.00 0.00 H new ATOM 0 HB THR A 30 31.929 10.114 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 30 32.450 10.983 -4.763 1.00 0.00 H new ATOM 0 HG21 THR A 30 32.811 8.638 -4.417 1.00 0.00 H new ATOM 0 HG22 THR A 30 31.649 7.788 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.153 8.338 -4.990 1.00 0.00 H new ATOM 478 N PRO A 31 29.992 11.260 -1.083 1.00 0.00 N ATOM 479 CA PRO A 31 29.753 12.460 -0.268 1.00 0.00 C ATOM 480 C PRO A 31 30.368 13.718 -0.885 1.00 0.00 C ATOM 481 O PRO A 31 30.121 14.831 -0.425 1.00 0.00 O ATOM 482 CB PRO A 31 30.431 12.136 1.067 1.00 0.00 C ATOM 483 CG PRO A 31 31.424 11.072 0.748 1.00 0.00 C ATOM 484 CD PRO A 31 30.824 10.272 -0.372 1.00 0.00 C ATOM 0 HA PRO A 31 28.689 12.677 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.917 13.017 1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 31 29.706 11.791 1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 31 32.379 11.505 0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 31 31.616 10.444 1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.591 9.850 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 31 30.229 9.439 0.002 1.00 0.00 H new ATOM 492 N VAL A 32 31.169 13.531 -1.929 1.00 0.00 N ATOM 493 CA VAL A 32 31.800 14.643 -2.625 1.00 0.00 C ATOM 494 C VAL A 32 31.215 14.749 -4.035 1.00 0.00 C ATOM 495 O VAL A 32 31.874 15.194 -4.978 1.00 0.00 O ATOM 496 CB VAL A 32 33.337 14.466 -2.702 1.00 0.00 C ATOM 497 CG1 VAL A 32 34.024 15.784 -3.040 1.00 0.00 C ATOM 498 CG2 VAL A 32 33.881 13.900 -1.400 1.00 0.00 C ATOM 0 H VAL A 32 31.396 12.613 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 32 31.600 15.558 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 32 33.552 13.757 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.102 15.631 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.666 16.144 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 32 33.796 16.521 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.962 13.784 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 32 33.646 14.580 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 32 33.425 12.929 -1.207 1.00 0.00 H new ATOM 508 N ASP A 33 29.966 14.330 -4.169 1.00 0.00 N ATOM 509 CA ASP A 33 29.276 14.377 -5.448 1.00 0.00 C ATOM 510 C ASP A 33 27.918 15.045 -5.279 1.00 0.00 C ATOM 511 O ASP A 33 27.234 14.826 -4.277 1.00 0.00 O ATOM 512 CB ASP A 33 29.105 12.964 -6.012 1.00 0.00 C ATOM 513 CG ASP A 33 28.820 12.967 -7.499 1.00 0.00 C ATOM 514 OD1 ASP A 33 27.661 13.183 -7.889 1.00 0.00 O ATOM 515 OD2 ASP A 33 29.772 12.757 -8.287 1.00 0.00 O ATOM 0 H ASP A 33 29.408 13.952 -3.404 1.00 0.00 H new ATOM 0 HA ASP A 33 29.873 14.960 -6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 33 30.009 12.387 -5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.290 12.463 -5.490 1.00 0.00 H new ATOM 520 N ASP A 34 27.541 15.876 -6.241 1.00 0.00 N ATOM 521 CA ASP A 34 26.261 16.571 -6.188 1.00 0.00 C ATOM 522 C ASP A 34 25.186 15.725 -6.848 1.00 0.00 C ATOM 523 O ASP A 34 25.350 15.276 -7.985 1.00 0.00 O ATOM 524 CB ASP A 34 26.329 17.924 -6.905 1.00 0.00 C ATOM 525 CG ASP A 34 27.438 18.828 -6.408 1.00 0.00 C ATOM 526 OD1 ASP A 34 27.376 19.282 -5.246 1.00 0.00 O ATOM 527 OD2 ASP A 34 28.364 19.117 -7.195 1.00 0.00 O ATOM 0 H ASP A 34 28.102 16.086 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 34 26.021 16.740 -5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 34 26.465 17.752 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 34 25.375 18.436 -6.784 1.00 0.00 H new ATOM 532 N TYR A 35 24.083 15.511 -6.159 1.00 0.00 N ATOM 533 CA TYR A 35 22.990 14.749 -6.730 1.00 0.00 C ATOM 534 C TYR A 35 21.650 15.338 -6.312 1.00 0.00 C ATOM 535 O TYR A 35 21.584 16.224 -5.465 1.00 0.00 O ATOM 536 CB TYR A 35 23.082 13.274 -6.321 1.00 0.00 C ATOM 537 CG TYR A 35 22.706 12.992 -4.883 1.00 0.00 C ATOM 538 CD1 TYR A 35 23.565 13.306 -3.836 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.494 12.385 -4.576 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.223 13.027 -2.526 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.145 12.108 -3.271 1.00 0.00 C ATOM 542 CZ TYR A 35 22.011 12.428 -2.252 1.00 0.00 C ATOM 543 OH TYR A 35 21.667 12.137 -0.952 1.00 0.00 O ATOM 0 H TYR A 35 23.920 15.850 -5.211 1.00 0.00 H new ATOM 0 HA TYR A 35 23.067 14.806 -7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.433 12.689 -6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.101 12.927 -6.491 1.00 0.00 H new ATOM 0 HD1 TYR A 35 24.514 13.775 -4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 35 20.814 12.126 -5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 35 23.900 13.276 -1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.196 11.642 -3.050 1.00 0.00 H new ATOM 0 HH TYR A 35 21.782 11.177 -0.790 1.00 0.00 H new ATOM 553 N VAL A 36 20.588 14.860 -6.926 1.00 0.00 N ATOM 554 CA VAL A 36 19.250 15.318 -6.596 1.00 0.00 C ATOM 555 C VAL A 36 18.315 14.125 -6.512 1.00 0.00 C ATOM 556 O VAL A 36 18.375 13.223 -7.348 1.00 0.00 O ATOM 557 CB VAL A 36 18.713 16.323 -7.642 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.318 16.803 -7.276 1.00 0.00 C ATOM 559 CG2 VAL A 36 19.649 17.509 -7.796 1.00 0.00 C ATOM 0 H VAL A 36 20.623 14.152 -7.659 1.00 0.00 H new ATOM 0 HA VAL A 36 19.297 15.830 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 36 18.659 15.800 -8.597 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.967 17.508 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.640 15.951 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.346 17.295 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.245 18.198 -8.538 1.00 0.00 H new ATOM 0 HG22 VAL A 36 19.746 18.022 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 36 20.629 17.159 -8.122 1.00 0.00 H new ATOM 569 N ILE A 37 17.482 14.099 -5.487 1.00 0.00 N ATOM 570 CA ILE A 37 16.511 13.033 -5.333 1.00 0.00 C ATOM 571 C ILE A 37 15.163 13.463 -5.893 1.00 0.00 C ATOM 572 O ILE A 37 14.533 14.394 -5.381 1.00 0.00 O ATOM 573 CB ILE A 37 16.365 12.603 -3.856 1.00 0.00 C ATOM 574 CG1 ILE A 37 17.679 11.991 -3.360 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.220 11.616 -3.691 1.00 0.00 C ATOM 576 CD1 ILE A 37 17.595 11.401 -1.968 1.00 0.00 C ATOM 0 H ILE A 37 17.459 14.804 -4.750 1.00 0.00 H new ATOM 0 HA ILE A 37 16.873 12.172 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 37 16.137 13.485 -3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 37 17.991 11.212 -4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.453 12.758 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.136 11.328 -2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.289 12.081 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.413 10.731 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.564 10.988 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.315 12.180 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 37 16.845 10.610 -1.953 1.00 0.00 H new ATOM 588 N ASP A 38 14.728 12.781 -6.947 1.00 0.00 N ATOM 589 CA ASP A 38 13.475 13.128 -7.608 1.00 0.00 C ATOM 590 C ASP A 38 12.344 12.313 -7.012 1.00 0.00 C ATOM 591 O ASP A 38 12.060 11.195 -7.446 1.00 0.00 O ATOM 592 CB ASP A 38 13.551 12.912 -9.128 1.00 0.00 C ATOM 593 CG ASP A 38 12.269 13.318 -9.846 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.669 14.340 -9.462 1.00 0.00 O ATOM 595 OD2 ASP A 38 11.855 12.614 -10.796 1.00 0.00 O ATOM 0 H ASP A 38 15.221 11.989 -7.360 1.00 0.00 H new ATOM 0 HA ASP A 38 13.287 14.189 -7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.385 13.486 -9.531 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.759 11.862 -9.331 1.00 0.00 H new ATOM 600 N GLY A 39 11.757 12.847 -5.955 1.00 0.00 N ATOM 601 CA GLY A 39 10.629 12.195 -5.320 1.00 0.00 C ATOM 602 C GLY A 39 11.038 11.111 -4.341 1.00 0.00 C ATOM 603 O GLY A 39 10.391 10.918 -3.318 1.00 0.00 O ATOM 0 H GLY A 39 12.042 13.725 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.033 12.943 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.990 11.759 -6.088 1.00 0.00 H new ATOM 607 N GLY A 40 12.129 10.429 -4.634 1.00 0.00 N ATOM 608 CA GLY A 40 12.547 9.311 -3.816 1.00 0.00 C ATOM 609 C GLY A 40 13.706 8.564 -4.439 1.00 0.00 C ATOM 610 O GLY A 40 14.456 7.875 -3.746 1.00 0.00 O ATOM 0 H GLY A 40 12.737 10.629 -5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.835 9.670 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.708 8.629 -3.675 1.00 0.00 H new ATOM 614 N GLU A 41 13.850 8.699 -5.753 1.00 0.00 N ATOM 615 CA GLU A 41 14.966 8.099 -6.460 1.00 0.00 C ATOM 616 C GLU A 41 16.143 9.069 -6.508 1.00 0.00 C ATOM 617 O GLU A 41 15.963 10.283 -6.564 1.00 0.00 O ATOM 618 CB GLU A 41 14.546 7.690 -7.877 1.00 0.00 C ATOM 619 CG GLU A 41 15.620 6.929 -8.639 1.00 0.00 C ATOM 620 CD GLU A 41 16.102 5.701 -7.893 1.00 0.00 C ATOM 621 OE1 GLU A 41 15.518 4.616 -8.083 1.00 0.00 O ATOM 622 OE2 GLU A 41 17.070 5.816 -7.106 1.00 0.00 O ATOM 0 H GLU A 41 13.205 9.220 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 41 15.277 7.203 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.650 7.073 -7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.279 8.585 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.228 6.629 -9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.465 7.591 -8.827 1.00 0.00 H new ATOM 629 N ILE A 42 17.338 8.511 -6.486 1.00 0.00 N ATOM 630 CA ILE A 42 18.577 9.278 -6.477 1.00 0.00 C ATOM 631 C ILE A 42 19.094 9.443 -7.897 1.00 0.00 C ATOM 632 O ILE A 42 19.199 8.471 -8.633 1.00 0.00 O ATOM 633 CB ILE A 42 19.654 8.553 -5.635 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.234 8.490 -4.166 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.008 9.238 -5.771 1.00 0.00 C ATOM 636 CD1 ILE A 42 20.070 7.540 -3.335 1.00 0.00 C ATOM 0 H ILE A 42 17.482 7.501 -6.474 1.00 0.00 H new ATOM 0 HA ILE A 42 18.372 10.255 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 42 19.749 7.536 -6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.299 9.489 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.189 8.186 -4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.746 8.708 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.317 9.228 -6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 42 20.931 10.269 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.714 7.548 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 42 19.986 6.532 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 42 21.113 7.855 -3.361 1.00 0.00 H new ATOM 648 N ILE A 43 19.398 10.667 -8.297 1.00 0.00 N ATOM 649 CA ILE A 43 19.992 10.896 -9.605 1.00 0.00 C ATOM 650 C ILE A 43 21.227 11.776 -9.474 1.00 0.00 C ATOM 651 O ILE A 43 21.184 12.830 -8.837 1.00 0.00 O ATOM 652 CB ILE A 43 19.016 11.558 -10.610 1.00 0.00 C ATOM 653 CG1 ILE A 43 17.660 10.846 -10.643 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.624 11.554 -12.003 1.00 0.00 C ATOM 655 CD1 ILE A 43 16.692 11.320 -9.580 1.00 0.00 C ATOM 0 H ILE A 43 19.246 11.509 -7.742 1.00 0.00 H new ATOM 0 HA ILE A 43 20.255 9.913 -9.995 1.00 0.00 H new ATOM 0 HB ILE A 43 18.850 12.583 -10.278 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.208 10.993 -11.624 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.820 9.775 -10.523 1.00 0.00 H new ATOM 0 HG21 ILE A 43 18.932 12.021 -12.703 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.561 12.111 -11.993 1.00 0.00 H new ATOM 0 HG23 ILE A 43 19.816 10.527 -12.313 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.756 10.769 -9.669 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.122 11.148 -8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.500 12.385 -9.712 1.00 0.00 H new ATOM 667 N LEU A 44 22.325 11.331 -10.069 1.00 0.00 N ATOM 668 CA LEU A 44 23.560 12.092 -10.077 1.00 0.00 C ATOM 669 C LEU A 44 23.341 13.339 -10.922 1.00 0.00 C ATOM 670 O LEU A 44 22.703 13.264 -11.971 1.00 0.00 O ATOM 671 CB LEU A 44 24.687 11.217 -10.650 1.00 0.00 C ATOM 672 CG LEU A 44 26.118 11.573 -10.225 1.00 0.00 C ATOM 673 CD1 LEU A 44 27.051 10.403 -10.495 1.00 0.00 C ATOM 674 CD2 LEU A 44 26.619 12.807 -10.955 1.00 0.00 C ATOM 0 H LEU A 44 22.382 10.437 -10.556 1.00 0.00 H new ATOM 0 HA LEU A 44 23.847 12.392 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 44 24.494 10.183 -10.364 1.00 0.00 H new ATOM 0 HB3 LEU A 44 24.634 11.262 -11.738 1.00 0.00 H new ATOM 0 HG LEU A 44 26.105 11.789 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 44 28.063 10.667 -10.190 1.00 0.00 H new ATOM 0 HD12 LEU A 44 26.717 9.533 -9.930 1.00 0.00 H new ATOM 0 HD13 LEU A 44 27.043 10.169 -11.560 1.00 0.00 H new ATOM 0 HD21 LEU A 44 27.635 13.033 -10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 44 26.612 12.622 -12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 44 25.970 13.653 -10.728 1.00 0.00 H new ATOM 686 N ARG A 45 23.857 14.477 -10.466 1.00 0.00 N ATOM 687 CA ARG A 45 23.616 15.765 -11.125 1.00 0.00 C ATOM 688 C ARG A 45 23.965 15.749 -12.613 1.00 0.00 C ATOM 689 O ARG A 45 23.436 16.552 -13.380 1.00 0.00 O ATOM 690 CB ARG A 45 24.405 16.869 -10.426 1.00 0.00 C ATOM 691 CG ARG A 45 23.567 17.726 -9.490 1.00 0.00 C ATOM 692 CD ARG A 45 22.561 18.563 -10.261 1.00 0.00 C ATOM 693 NE ARG A 45 23.188 19.295 -11.361 1.00 0.00 N ATOM 694 CZ ARG A 45 23.565 20.571 -11.299 1.00 0.00 C ATOM 695 NH1 ARG A 45 23.398 21.272 -10.182 1.00 0.00 N ATOM 696 NH2 ARG A 45 24.123 21.144 -12.353 1.00 0.00 N ATOM 0 H ARG A 45 24.449 14.537 -9.638 1.00 0.00 H new ATOM 0 HA ARG A 45 22.546 15.959 -11.047 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.219 16.417 -9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.860 17.510 -11.181 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.043 17.087 -8.779 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.219 18.380 -8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 45 21.778 17.916 -10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.081 19.268 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 45 23.347 18.794 -12.235 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.978 20.833 -9.363 1.00 0.00 H new ATOM 0 HH12 ARG A 45 23.690 22.249 -10.144 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.263 20.609 -13.210 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.413 22.121 -12.309 1.00 0.00 H new ATOM 710 N GLU A 46 24.822 14.829 -13.023 1.00 0.00 N ATOM 711 CA GLU A 46 25.256 14.771 -14.411 1.00 0.00 C ATOM 712 C GLU A 46 24.203 14.076 -15.264 1.00 0.00 C ATOM 713 O GLU A 46 23.895 14.513 -16.372 1.00 0.00 O ATOM 714 CB GLU A 46 26.602 14.053 -14.527 1.00 0.00 C ATOM 715 CG GLU A 46 27.102 13.926 -15.956 1.00 0.00 C ATOM 716 CD GLU A 46 28.484 13.321 -16.039 1.00 0.00 C ATOM 717 OE1 GLU A 46 28.674 12.192 -15.549 1.00 0.00 O ATOM 718 OE2 GLU A 46 29.392 13.973 -16.595 1.00 0.00 O ATOM 0 H GLU A 46 25.230 14.115 -12.419 1.00 0.00 H new ATOM 0 HA GLU A 46 25.382 15.790 -14.777 1.00 0.00 H new ATOM 0 HB2 GLU A 46 27.344 14.592 -13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.512 13.057 -14.092 1.00 0.00 H new ATOM 0 HG2 GLU A 46 26.406 13.311 -16.527 1.00 0.00 H new ATOM 0 HG3 GLU A 46 27.113 14.911 -16.422 1.00 0.00 H new ATOM 725 N ASN A 47 23.628 13.013 -14.724 1.00 0.00 N ATOM 726 CA ASN A 47 22.607 12.251 -15.432 1.00 0.00 C ATOM 727 C ASN A 47 21.231 12.852 -15.168 1.00 0.00 C ATOM 728 O ASN A 47 20.230 12.425 -15.741 1.00 0.00 O ATOM 729 CB ASN A 47 22.618 10.785 -14.984 1.00 0.00 C ATOM 730 CG ASN A 47 23.946 10.090 -15.234 1.00 0.00 C ATOM 731 OD1 ASN A 47 24.693 10.453 -16.142 1.00 0.00 O ATOM 732 ND2 ASN A 47 24.247 9.078 -14.428 1.00 0.00 N ATOM 0 H ASN A 47 23.851 12.656 -13.795 1.00 0.00 H new ATOM 0 HA ASN A 47 22.826 12.295 -16.499 1.00 0.00 H new ATOM 0 HB2 ASN A 47 22.385 10.736 -13.920 1.00 0.00 H new ATOM 0 HB3 ASN A 47 21.829 10.246 -15.509 1.00 0.00 H new ATOM 0 HD21 ASN A 47 25.124 8.572 -14.551 1.00 0.00 H new ATOM 0 HD22 ASN A 47 23.601 8.807 -13.686 1.00 0.00 H new ATOM 739 N LEU A 48 21.203 13.857 -14.300 1.00 0.00 N ATOM 740 CA LEU A 48 19.957 14.470 -13.856 1.00 0.00 C ATOM 741 C LEU A 48 19.199 15.100 -15.017 1.00 0.00 C ATOM 742 O LEU A 48 17.990 14.929 -15.130 1.00 0.00 O ATOM 743 CB LEU A 48 20.241 15.530 -12.792 1.00 0.00 C ATOM 744 CG LEU A 48 18.999 16.145 -12.144 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.283 15.121 -11.276 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.374 17.372 -11.331 1.00 0.00 C ATOM 0 H LEU A 48 22.040 14.268 -13.886 1.00 0.00 H new ATOM 0 HA LEU A 48 19.335 13.683 -13.431 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.856 15.083 -12.011 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.830 16.328 -13.244 1.00 0.00 H new ATOM 0 HG LEU A 48 18.317 16.455 -12.936 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.403 15.579 -10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.977 14.274 -11.890 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.956 14.776 -10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.478 17.796 -10.878 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.077 17.089 -10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 48 19.836 18.113 -11.983 1.00 0.00 H new ATOM 758 N GLU A 49 19.917 15.814 -15.875 1.00 0.00 N ATOM 759 CA GLU A 49 19.307 16.504 -17.009 1.00 0.00 C ATOM 760 C GLU A 49 18.479 15.536 -17.856 1.00 0.00 C ATOM 761 O GLU A 49 17.343 15.831 -18.230 1.00 0.00 O ATOM 762 CB GLU A 49 20.396 17.151 -17.863 1.00 0.00 C ATOM 763 CG GLU A 49 19.864 18.081 -18.939 1.00 0.00 C ATOM 764 CD GLU A 49 19.117 19.267 -18.365 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.765 20.156 -17.776 1.00 0.00 O ATOM 766 OE2 GLU A 49 17.881 19.328 -18.515 1.00 0.00 O ATOM 0 H GLU A 49 20.928 15.932 -15.808 1.00 0.00 H new ATOM 0 HA GLU A 49 18.639 17.277 -16.628 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.069 17.711 -17.213 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.988 16.367 -18.335 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.694 18.439 -19.548 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.201 17.524 -19.600 1.00 0.00 H new ATOM 773 N ARG A 50 19.053 14.372 -18.127 1.00 0.00 N ATOM 774 CA ARG A 50 18.383 13.336 -18.903 1.00 0.00 C ATOM 775 C ARG A 50 17.124 12.861 -18.181 1.00 0.00 C ATOM 776 O ARG A 50 16.041 12.797 -18.769 1.00 0.00 O ATOM 777 CB ARG A 50 19.337 12.154 -19.114 1.00 0.00 C ATOM 778 CG ARG A 50 18.810 11.064 -20.039 1.00 0.00 C ATOM 779 CD ARG A 50 18.966 11.439 -21.507 1.00 0.00 C ATOM 780 NE ARG A 50 18.020 12.466 -21.935 1.00 0.00 N ATOM 781 CZ ARG A 50 18.363 13.565 -22.608 1.00 0.00 C ATOM 782 NH1 ARG A 50 19.646 13.850 -22.817 1.00 0.00 N ATOM 783 NH2 ARG A 50 17.418 14.388 -23.042 1.00 0.00 N ATOM 0 H ARG A 50 19.991 14.119 -17.817 1.00 0.00 H new ATOM 0 HA ARG A 50 18.096 13.749 -19.870 1.00 0.00 H new ATOM 0 HB2 ARG A 50 20.276 12.531 -19.518 1.00 0.00 H new ATOM 0 HB3 ARG A 50 19.563 11.710 -18.144 1.00 0.00 H new ATOM 0 HG2 ARG A 50 19.343 10.133 -19.844 1.00 0.00 H new ATOM 0 HG3 ARG A 50 17.758 10.881 -19.821 1.00 0.00 H new ATOM 0 HD2 ARG A 50 19.982 11.793 -21.680 1.00 0.00 H new ATOM 0 HD3 ARG A 50 18.830 10.548 -22.121 1.00 0.00 H new ATOM 0 HE ARG A 50 17.035 12.334 -21.705 1.00 0.00 H new ATOM 0 HH11 ARG A 50 20.371 13.227 -22.462 1.00 0.00 H new ATOM 0 HH12 ARG A 50 19.904 14.692 -23.332 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.436 14.179 -22.860 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.673 15.231 -23.557 1.00 0.00 H new ATOM 797 N TYR A 51 17.275 12.560 -16.897 1.00 0.00 N ATOM 798 CA TYR A 51 16.195 11.991 -16.100 1.00 0.00 C ATOM 799 C TYR A 51 15.057 12.992 -15.897 1.00 0.00 C ATOM 800 O TYR A 51 13.885 12.615 -15.891 1.00 0.00 O ATOM 801 CB TYR A 51 16.735 11.524 -14.746 1.00 0.00 C ATOM 802 CG TYR A 51 15.753 10.701 -13.944 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.591 9.345 -14.199 1.00 0.00 C ATOM 804 CD2 TYR A 51 14.992 11.275 -12.934 1.00 0.00 C ATOM 805 CE1 TYR A 51 14.699 8.584 -13.469 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.099 10.519 -12.199 1.00 0.00 C ATOM 807 CZ TYR A 51 13.958 9.175 -12.470 1.00 0.00 C ATOM 808 OH TYR A 51 13.070 8.418 -11.743 1.00 0.00 O ATOM 0 H TYR A 51 18.144 12.702 -16.381 1.00 0.00 H new ATOM 0 HA TYR A 51 15.792 11.137 -16.643 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.638 10.936 -14.910 1.00 0.00 H new ATOM 0 HB3 TYR A 51 17.025 12.397 -14.161 1.00 0.00 H new ATOM 0 HD1 TYR A 51 16.172 8.878 -14.981 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.100 12.328 -12.720 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.583 7.531 -13.681 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.514 10.979 -11.416 1.00 0.00 H new ATOM 0 HH TYR A 51 12.805 8.909 -10.937 1.00 0.00 H new ATOM 818 N LEU A 52 15.400 14.267 -15.737 1.00 0.00 N ATOM 819 CA LEU A 52 14.394 15.310 -15.559 1.00 0.00 C ATOM 820 C LEU A 52 13.575 15.480 -16.826 1.00 0.00 C ATOM 821 O LEU A 52 12.363 15.656 -16.781 1.00 0.00 O ATOM 822 CB LEU A 52 15.040 16.647 -15.183 1.00 0.00 C ATOM 823 CG LEU A 52 15.796 16.661 -13.856 1.00 0.00 C ATOM 824 CD1 LEU A 52 16.301 18.061 -13.554 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.910 16.154 -12.728 1.00 0.00 C ATOM 0 H LEU A 52 16.363 14.602 -15.727 1.00 0.00 H new ATOM 0 HA LEU A 52 13.739 15.000 -14.744 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.729 16.934 -15.977 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.262 17.409 -15.146 1.00 0.00 H new ATOM 0 HG LEU A 52 16.654 15.994 -13.938 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.838 18.057 -12.606 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.972 18.385 -14.350 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.456 18.747 -13.490 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.467 16.172 -11.791 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.032 16.793 -12.640 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.595 15.133 -12.943 1.00 0.00 H new ATOM 837 N ARG A 53 14.241 15.402 -17.960 1.00 0.00 N ATOM 838 CA ARG A 53 13.565 15.544 -19.240 1.00 0.00 C ATOM 839 C ARG A 53 12.690 14.325 -19.510 1.00 0.00 C ATOM 840 O ARG A 53 11.748 14.388 -20.297 1.00 0.00 O ATOM 841 CB ARG A 53 14.573 15.756 -20.370 1.00 0.00 C ATOM 842 CG ARG A 53 15.313 17.080 -20.269 1.00 0.00 C ATOM 843 CD ARG A 53 16.274 17.286 -21.429 1.00 0.00 C ATOM 844 NE ARG A 53 15.588 17.289 -22.722 1.00 0.00 N ATOM 845 CZ ARG A 53 15.140 18.388 -23.329 1.00 0.00 C ATOM 846 NH1 ARG A 53 15.326 19.583 -22.779 1.00 0.00 N ATOM 847 NH2 ARG A 53 14.525 18.289 -24.500 1.00 0.00 N ATOM 0 H ARG A 53 15.246 15.242 -18.025 1.00 0.00 H new ATOM 0 HA ARG A 53 12.926 16.426 -19.198 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.296 14.941 -20.361 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.052 15.710 -21.327 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.592 17.897 -20.246 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.865 17.116 -19.330 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.802 18.230 -21.298 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.026 16.497 -21.420 1.00 0.00 H new ATOM 0 HE ARG A 53 15.444 16.393 -23.188 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.814 19.663 -21.887 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.981 20.420 -23.249 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.396 17.374 -24.933 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.181 19.128 -24.968 1.00 0.00 H new ATOM 861 N GLU A 54 13.005 13.217 -18.845 1.00 0.00 N ATOM 862 CA GLU A 54 12.168 12.031 -18.916 1.00 0.00 C ATOM 863 C GLU A 54 11.006 12.134 -17.931 1.00 0.00 C ATOM 864 O GLU A 54 9.840 12.106 -18.330 1.00 0.00 O ATOM 865 CB GLU A 54 12.980 10.765 -18.628 1.00 0.00 C ATOM 866 CG GLU A 54 13.995 10.432 -19.707 1.00 0.00 C ATOM 867 CD GLU A 54 13.357 10.263 -21.071 1.00 0.00 C ATOM 868 OE1 GLU A 54 13.229 11.268 -21.799 1.00 0.00 O ATOM 869 OE2 GLU A 54 12.990 9.126 -21.429 1.00 0.00 O ATOM 0 H GLU A 54 13.831 13.119 -18.254 1.00 0.00 H new ATOM 0 HA GLU A 54 11.772 11.966 -19.929 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.500 10.886 -17.678 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.296 9.924 -18.513 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.743 11.224 -19.755 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.519 9.515 -19.438 1.00 0.00 H new ATOM 876 N GLN A 55 11.319 12.268 -16.648 1.00 0.00 N ATOM 877 CA GLN A 55 10.286 12.282 -15.629 1.00 0.00 C ATOM 878 C GLN A 55 9.999 13.693 -15.114 1.00 0.00 C ATOM 879 O GLN A 55 8.931 14.240 -15.395 1.00 0.00 O ATOM 880 CB GLN A 55 10.669 11.353 -14.464 1.00 0.00 C ATOM 881 CG GLN A 55 9.650 11.343 -13.332 1.00 0.00 C ATOM 882 CD GLN A 55 9.823 10.169 -12.387 1.00 0.00 C ATOM 883 OE1 GLN A 55 9.245 9.102 -12.596 1.00 0.00 O ATOM 884 NE2 GLN A 55 10.600 10.358 -11.334 1.00 0.00 N ATOM 0 H GLN A 55 12.271 12.367 -16.294 1.00 0.00 H new ATOM 0 HA GLN A 55 9.370 11.916 -16.093 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.788 10.338 -14.844 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.637 11.661 -14.068 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.734 12.272 -12.767 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.646 11.316 -13.755 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.062 11.257 -11.196 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.738 9.605 -10.660 1.00 0.00 H new ATOM 893 N LEU A 56 10.976 14.294 -14.410 1.00 0.00 N ATOM 894 CA LEU A 56 10.735 15.538 -13.652 1.00 0.00 C ATOM 895 C LEU A 56 9.389 15.438 -12.925 1.00 0.00 C ATOM 896 O LEU A 56 8.599 16.380 -12.905 1.00 0.00 O ATOM 897 CB LEU A 56 10.755 16.748 -14.604 1.00 0.00 C ATOM 898 CG LEU A 56 11.331 18.055 -14.035 1.00 0.00 C ATOM 899 CD1 LEU A 56 11.756 18.973 -15.169 1.00 0.00 C ATOM 900 CD2 LEU A 56 10.317 18.767 -13.153 1.00 0.00 C ATOM 0 H LEU A 56 11.932 13.943 -14.350 1.00 0.00 H new ATOM 0 HA LEU A 56 11.524 15.675 -12.913 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.331 16.477 -15.489 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.734 16.940 -14.935 1.00 0.00 H new ATOM 0 HG LEU A 56 12.198 17.802 -13.425 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.163 19.896 -14.757 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.518 18.478 -15.772 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.893 19.204 -15.793 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.754 19.687 -12.766 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.429 19.005 -13.739 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.040 18.119 -12.321 1.00 0.00 H new ATOM 912 N GLY A 57 9.135 14.283 -12.326 1.00 0.00 N ATOM 913 CA GLY A 57 7.797 13.988 -11.865 1.00 0.00 C ATOM 914 C GLY A 57 7.726 13.596 -10.410 1.00 0.00 C ATOM 915 O GLY A 57 6.658 13.200 -9.942 1.00 0.00 O ATOM 0 H GLY A 57 9.825 13.552 -12.153 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.166 14.862 -12.027 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.384 13.180 -12.470 1.00 0.00 H new ATOM 919 N PHE A 58 8.850 13.693 -9.700 1.00 0.00 N ATOM 920 CA PHE A 58 8.878 13.455 -8.255 1.00 0.00 C ATOM 921 C PHE A 58 8.290 12.084 -7.953 1.00 0.00 C ATOM 922 O PHE A 58 8.342 11.180 -8.794 1.00 0.00 O ATOM 923 CB PHE A 58 8.091 14.556 -7.518 1.00 0.00 C ATOM 924 CG PHE A 58 8.037 15.878 -8.246 1.00 0.00 C ATOM 925 CD1 PHE A 58 9.157 16.401 -8.878 1.00 0.00 C ATOM 926 CD2 PHE A 58 6.848 16.587 -8.315 1.00 0.00 C ATOM 927 CE1 PHE A 58 9.090 17.601 -9.557 1.00 0.00 C ATOM 928 CE2 PHE A 58 6.777 17.787 -8.994 1.00 0.00 C ATOM 929 CZ PHE A 58 7.898 18.296 -9.615 1.00 0.00 C ATOM 0 H PHE A 58 9.756 13.935 -10.102 1.00 0.00 H new ATOM 0 HA PHE A 58 9.910 13.482 -7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.073 14.206 -7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.541 14.713 -6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.092 15.862 -8.838 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.965 16.196 -7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.970 17.996 -10.043 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.843 18.327 -9.039 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.844 19.235 -10.145 1.00 0.00 H new ATOM 939 N GLU A 59 7.751 11.896 -6.764 1.00 0.00 N ATOM 940 CA GLU A 59 7.006 10.687 -6.503 1.00 0.00 C ATOM 941 C GLU A 59 5.533 11.016 -6.296 1.00 0.00 C ATOM 942 O GLU A 59 5.135 11.471 -5.225 1.00 0.00 O ATOM 943 CB GLU A 59 7.575 9.963 -5.291 1.00 0.00 C ATOM 944 CG GLU A 59 6.940 8.609 -5.030 1.00 0.00 C ATOM 945 CD GLU A 59 7.132 7.647 -6.183 1.00 0.00 C ATOM 946 OE1 GLU A 59 6.337 7.695 -7.146 1.00 0.00 O ATOM 947 OE2 GLU A 59 8.074 6.828 -6.130 1.00 0.00 O ATOM 0 H GLU A 59 7.814 12.549 -5.983 1.00 0.00 H new ATOM 0 HA GLU A 59 7.094 10.025 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.648 9.830 -5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.444 10.591 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.370 8.178 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.874 8.741 -4.845 1.00 0.00 H new ATOM 954 N PHE A 60 4.730 10.782 -7.325 1.00 0.00 N ATOM 955 CA PHE A 60 3.302 11.060 -7.258 1.00 0.00 C ATOM 956 C PHE A 60 2.529 9.796 -6.937 1.00 0.00 C ATOM 957 O PHE A 60 2.443 8.881 -7.758 1.00 0.00 O ATOM 958 CB PHE A 60 2.783 11.660 -8.570 1.00 0.00 C ATOM 959 CG PHE A 60 3.030 13.136 -8.712 1.00 0.00 C ATOM 960 CD1 PHE A 60 2.569 14.021 -7.754 1.00 0.00 C ATOM 961 CD2 PHE A 60 3.713 13.638 -9.806 1.00 0.00 C ATOM 962 CE1 PHE A 60 2.787 15.378 -7.882 1.00 0.00 C ATOM 963 CE2 PHE A 60 3.934 14.994 -9.941 1.00 0.00 C ATOM 964 CZ PHE A 60 3.468 15.866 -8.978 1.00 0.00 C ATOM 0 H PHE A 60 5.044 10.400 -8.217 1.00 0.00 H new ATOM 0 HA PHE A 60 3.150 11.790 -6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.255 11.142 -9.405 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.712 11.473 -8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.032 13.646 -6.895 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.078 12.960 -10.564 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.425 16.057 -7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.471 15.372 -10.799 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.636 16.928 -9.082 1.00 0.00 H new ATOM 974 N LYS A 61 1.980 9.747 -5.741 1.00 0.00 N ATOM 975 CA LYS A 61 1.194 8.610 -5.309 1.00 0.00 C ATOM 976 C LYS A 61 -0.270 9.008 -5.191 1.00 0.00 C ATOM 977 O LYS A 61 -0.606 10.193 -5.171 1.00 0.00 O ATOM 978 CB LYS A 61 1.703 8.093 -3.960 1.00 0.00 C ATOM 979 CG LYS A 61 3.140 7.600 -3.979 1.00 0.00 C ATOM 980 CD LYS A 61 3.267 6.237 -4.639 1.00 0.00 C ATOM 981 CE LYS A 61 4.715 5.773 -4.665 1.00 0.00 C ATOM 982 NZ LYS A 61 4.860 4.390 -5.190 1.00 0.00 N ATOM 0 H LYS A 61 2.065 10.488 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 61 1.292 7.815 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.615 8.891 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.057 7.280 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.763 8.319 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.518 7.545 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.659 5.511 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.879 6.285 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.301 6.455 -5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.127 5.821 -3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.865 4.121 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.324 3.732 -4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.493 4.347 -6.162 1.00 0.00 H new ATOM 996 N ASN A 62 -1.128 8.015 -5.136 1.00 0.00 N ATOM 997 CA ASN A 62 -2.548 8.216 -4.896 1.00 0.00 C ATOM 998 C ASN A 62 -3.049 7.050 -4.072 1.00 0.00 C ATOM 999 O ASN A 62 -2.262 6.169 -3.722 1.00 0.00 O ATOM 1000 CB ASN A 62 -3.337 8.298 -6.214 1.00 0.00 C ATOM 1001 CG ASN A 62 -3.088 9.579 -6.992 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -3.756 10.591 -6.775 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -2.140 9.543 -7.916 1.00 0.00 N ATOM 0 H ASN A 62 -0.864 7.037 -5.257 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.694 9.159 -4.370 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.073 7.445 -6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.402 8.216 -5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.942 10.372 -8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.607 8.686 -8.067 1.00 0.00 H new ATOM 1010 N ALA A 63 -4.336 7.029 -3.754 1.00 0.00 N ATOM 1011 CA ALA A 63 -4.913 5.856 -3.115 1.00 0.00 C ATOM 1012 C ALA A 63 -4.751 4.654 -4.031 1.00 0.00 C ATOM 1013 O ALA A 63 -4.600 3.525 -3.564 1.00 0.00 O ATOM 1014 CB ALA A 63 -6.383 6.062 -2.785 1.00 0.00 C ATOM 0 H ALA A 63 -4.989 7.794 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.386 5.684 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.778 5.165 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.488 6.909 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.937 6.261 -3.702 1.00 0.00 H new ATOM 1020 N GLN A 64 -4.793 4.926 -5.346 1.00 0.00 N ATOM 1021 CA GLN A 64 -4.649 3.908 -6.394 1.00 0.00 C ATOM 1022 C GLN A 64 -5.896 3.029 -6.461 1.00 0.00 C ATOM 1023 O GLN A 64 -6.402 2.721 -7.542 1.00 0.00 O ATOM 1024 CB GLN A 64 -3.394 3.059 -6.159 1.00 0.00 C ATOM 1025 CG GLN A 64 -2.994 2.203 -7.349 1.00 0.00 C ATOM 1026 CD GLN A 64 -1.731 1.408 -7.083 1.00 0.00 C ATOM 1027 OE1 GLN A 64 -0.622 1.889 -7.321 1.00 0.00 O ATOM 1028 NE2 GLN A 64 -1.884 0.189 -6.594 1.00 0.00 N ATOM 0 H GLN A 64 -4.929 5.868 -5.712 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.537 4.415 -7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.564 3.718 -5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.562 2.411 -5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.807 1.519 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.843 2.841 -8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.820 -0.173 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.066 -0.389 -6.400 1.00 0.00 H new ATOM 1037 N LEU A 65 -6.377 2.645 -5.289 1.00 0.00 N ATOM 1038 CA LEU A 65 -7.611 1.897 -5.139 1.00 0.00 C ATOM 1039 C LEU A 65 -8.767 2.668 -5.762 1.00 0.00 C ATOM 1040 O LEU A 65 -9.584 2.101 -6.485 1.00 0.00 O ATOM 1041 CB LEU A 65 -7.872 1.675 -3.641 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.823 0.530 -3.272 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -10.266 0.852 -3.630 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -8.379 -0.741 -3.959 1.00 0.00 C ATOM 0 H LEU A 65 -5.913 2.848 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.525 0.936 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.915 1.494 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.273 2.599 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.783 0.394 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.906 0.014 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.584 1.745 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.344 1.027 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.057 -1.553 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.392 -0.594 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.368 -0.993 -3.639 1.00 0.00 H new ATOM 1056 N GLU A 66 -8.799 3.970 -5.485 1.00 0.00 N ATOM 1057 CA GLU A 66 -9.917 4.825 -5.866 1.00 0.00 C ATOM 1058 C GLU A 66 -11.200 4.261 -5.269 1.00 0.00 C ATOM 1059 O GLU A 66 -11.995 3.618 -5.952 1.00 0.00 O ATOM 1060 CB GLU A 66 -10.022 4.960 -7.397 1.00 0.00 C ATOM 1061 CG GLU A 66 -10.792 6.192 -7.878 1.00 0.00 C ATOM 1062 CD GLU A 66 -12.296 6.088 -7.692 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -12.956 5.424 -8.521 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -12.828 6.691 -6.735 1.00 0.00 O ATOM 0 H GLU A 66 -8.052 4.459 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.751 5.828 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.016 4.991 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.506 4.068 -7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.429 7.068 -7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.577 6.354 -8.934 1.00 0.00 H new ATOM 1071 N HIS A 67 -11.346 4.435 -3.964 1.00 0.00 N ATOM 1072 CA HIS A 67 -12.562 4.030 -3.279 1.00 0.00 C ATOM 1073 C HIS A 67 -13.717 4.885 -3.780 1.00 0.00 C ATOM 1074 O HIS A 67 -13.666 6.109 -3.701 1.00 0.00 O ATOM 1075 CB HIS A 67 -12.396 4.132 -1.753 1.00 0.00 C ATOM 1076 CG HIS A 67 -11.779 5.417 -1.274 1.00 0.00 C ATOM 1077 ND1 HIS A 67 -10.455 5.520 -0.899 1.00 0.00 N ATOM 1078 CD2 HIS A 67 -12.309 6.653 -1.103 1.00 0.00 C ATOM 1079 CE1 HIS A 67 -10.200 6.758 -0.521 1.00 0.00 C ATOM 1080 NE2 HIS A 67 -11.307 7.466 -0.636 1.00 0.00 N ATOM 0 H HIS A 67 -10.638 4.853 -3.360 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.776 2.984 -3.500 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.374 4.018 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.781 3.300 -1.411 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -13.331 6.944 -1.298 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.246 7.129 -0.176 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -11.403 8.457 -0.414 1.00 0.00 H new ATOM 1089 N HIS A 68 -14.743 4.237 -4.311 1.00 0.00 N ATOM 1090 CA HIS A 68 -15.786 4.945 -5.043 1.00 0.00 C ATOM 1091 C HIS A 68 -16.749 5.693 -4.122 1.00 0.00 C ATOM 1092 O HIS A 68 -17.901 5.292 -3.956 1.00 0.00 O ATOM 1093 CB HIS A 68 -16.545 4.005 -6.000 1.00 0.00 C ATOM 1094 CG HIS A 68 -17.026 2.706 -5.409 1.00 0.00 C ATOM 1095 ND1 HIS A 68 -17.979 2.629 -4.418 1.00 0.00 N ATOM 1096 CD2 HIS A 68 -16.698 1.428 -5.708 1.00 0.00 C ATOM 1097 CE1 HIS A 68 -18.218 1.360 -4.137 1.00 0.00 C ATOM 1098 NE2 HIS A 68 -17.455 0.609 -4.907 1.00 0.00 N ATOM 0 H HIS A 68 -14.877 3.228 -4.250 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.279 5.699 -5.645 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -17.407 4.542 -6.396 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.895 3.778 -6.845 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -18.430 3.427 -3.971 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.973 1.110 -6.443 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -18.920 0.999 -3.400 1.00 0.00 H new ATOM 1107 N HIS A 69 -16.235 6.775 -3.523 1.00 0.00 N ATOM 1108 CA HIS A 69 -17.009 7.717 -2.704 1.00 0.00 C ATOM 1109 C HIS A 69 -18.021 7.020 -1.797 1.00 0.00 C ATOM 1110 O HIS A 69 -17.682 6.563 -0.704 1.00 0.00 O ATOM 1111 CB HIS A 69 -17.718 8.747 -3.591 1.00 0.00 C ATOM 1112 CG HIS A 69 -16.793 9.719 -4.262 1.00 0.00 C ATOM 1113 ND1 HIS A 69 -16.215 9.489 -5.495 1.00 0.00 N ATOM 1114 CD2 HIS A 69 -16.352 10.938 -3.868 1.00 0.00 C ATOM 1115 CE1 HIS A 69 -15.463 10.522 -5.826 1.00 0.00 C ATOM 1116 NE2 HIS A 69 -15.531 11.415 -4.859 1.00 0.00 N ATOM 0 H HIS A 69 -15.249 7.025 -3.596 1.00 0.00 H new ATOM 0 HA HIS A 69 -16.295 8.226 -2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -18.290 8.220 -4.355 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -18.433 9.302 -2.984 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -16.600 11.441 -2.945 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -14.889 10.619 -6.736 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -15.051 12.315 -4.849 1.00 0.00 H new ATOM 1125 N HIS A 70 -19.259 6.939 -2.266 1.00 0.00 N ATOM 1126 CA HIS A 70 -20.325 6.275 -1.530 1.00 0.00 C ATOM 1127 C HIS A 70 -21.343 5.712 -2.518 1.00 0.00 C ATOM 1128 O HIS A 70 -22.017 4.723 -2.232 1.00 0.00 O ATOM 1129 CB HIS A 70 -20.997 7.251 -0.557 1.00 0.00 C ATOM 1130 CG HIS A 70 -21.829 6.580 0.491 1.00 0.00 C ATOM 1131 ND1 HIS A 70 -23.172 6.832 0.666 1.00 0.00 N ATOM 1132 CD2 HIS A 70 -21.493 5.676 1.441 1.00 0.00 C ATOM 1133 CE1 HIS A 70 -23.626 6.112 1.676 1.00 0.00 C ATOM 1134 NE2 HIS A 70 -22.626 5.403 2.161 1.00 0.00 N ATOM 0 H HIS A 70 -19.551 7.329 -3.162 1.00 0.00 H new ATOM 0 HA HIS A 70 -19.904 5.458 -0.945 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -20.228 7.850 -0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -21.626 7.938 -1.123 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -20.514 5.249 1.601 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -24.642 6.105 2.042 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -22.686 4.755 2.946 1.00 0.00 H new ATOM 1143 N HIS A 71 -21.441 6.374 -3.677 1.00 0.00 N ATOM 1144 CA HIS A 71 -22.252 5.922 -4.816 1.00 0.00 C ATOM 1145 C HIS A 71 -23.741 6.198 -4.596 1.00 0.00 C ATOM 1146 O HIS A 71 -24.407 6.752 -5.468 1.00 0.00 O ATOM 1147 CB HIS A 71 -22.009 4.437 -5.118 1.00 0.00 C ATOM 1148 CG HIS A 71 -22.429 4.027 -6.496 1.00 0.00 C ATOM 1149 ND1 HIS A 71 -21.557 3.978 -7.560 1.00 0.00 N ATOM 1150 CD2 HIS A 71 -23.628 3.625 -6.979 1.00 0.00 C ATOM 1151 CE1 HIS A 71 -22.198 3.564 -8.636 1.00 0.00 C ATOM 1152 NE2 HIS A 71 -23.457 3.342 -8.310 1.00 0.00 N ATOM 0 H HIS A 71 -20.952 7.252 -3.853 1.00 0.00 H new ATOM 0 HA HIS A 71 -21.936 6.499 -5.685 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -20.949 4.218 -4.990 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -22.549 3.834 -4.388 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -24.548 3.542 -6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -21.766 3.430 -9.617 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -24.185 3.013 -8.945 1.00 0.00 H new ATOM 1161 N HIS A 72 -24.260 5.806 -3.446 1.00 0.00 N ATOM 1162 CA HIS A 72 -25.643 6.094 -3.101 1.00 0.00 C ATOM 1163 C HIS A 72 -25.729 6.581 -1.665 1.00 0.00 C ATOM 1164 O HIS A 72 -25.671 5.741 -0.749 1.00 0.00 O ATOM 1165 CB HIS A 72 -26.537 4.865 -3.301 1.00 0.00 C ATOM 1166 CG HIS A 72 -27.966 5.099 -2.903 1.00 0.00 C ATOM 1167 ND1 HIS A 72 -28.812 5.940 -3.592 1.00 0.00 N ATOM 1168 CD2 HIS A 72 -28.687 4.615 -1.865 1.00 0.00 C ATOM 1169 CE1 HIS A 72 -29.989 5.962 -2.996 1.00 0.00 C ATOM 1170 NE2 HIS A 72 -29.942 5.167 -1.945 1.00 0.00 N ATOM 1171 OXT HIS A 72 -25.854 7.801 -1.460 1.00 0.00 O ATOM 0 H HIS A 72 -23.745 5.287 -2.734 1.00 0.00 H new ATOM 0 HA HIS A 72 -26.002 6.878 -3.768 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -26.503 4.566 -4.349 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -26.136 4.034 -2.720 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -28.340 3.922 -1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -30.847 6.535 -3.315 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -30.711 4.991 -1.298 1.00 0.00 H new TER 1180 HIS A 72 ATOM 1181 N MET B 1 -5.855 -22.158 34.292 1.00 0.00 N ATOM 1182 CA MET B 1 -5.254 -22.801 35.484 1.00 0.00 C ATOM 1183 C MET B 1 -3.736 -22.756 35.400 1.00 0.00 C ATOM 1184 O MET B 1 -3.167 -22.697 34.310 1.00 0.00 O ATOM 1185 CB MET B 1 -5.730 -24.250 35.610 1.00 0.00 C ATOM 1186 CG MET B 1 -7.214 -24.376 35.906 1.00 0.00 C ATOM 1187 SD MET B 1 -7.751 -26.089 36.070 1.00 0.00 S ATOM 1188 CE MET B 1 -9.486 -25.858 36.454 1.00 0.00 C ATOM 0 H1 MET B 1 -6.457 -21.365 34.592 1.00 0.00 H new ATOM 0 H2 MET B 1 -5.100 -21.804 33.671 1.00 0.00 H new ATOM 0 H3 MET B 1 -6.430 -22.853 33.775 1.00 0.00 H new ATOM 0 HA MET B 1 -5.574 -22.251 36.369 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.506 -24.780 34.684 1.00 0.00 H new ATOM 0 HB3 MET B 1 -5.166 -24.742 36.403 1.00 0.00 H new ATOM 0 HG2 MET B 1 -7.443 -23.839 36.826 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.781 -23.897 35.108 1.00 0.00 H new ATOM 0 HE1 MET B 1 -9.962 -26.830 36.586 1.00 0.00 H new ATOM 0 HE2 MET B 1 -9.581 -25.280 37.373 1.00 0.00 H new ATOM 0 HE3 MET B 1 -9.971 -25.324 35.637 1.00 0.00 H new ATOM 1200 N VAL B 2 -3.085 -22.786 36.554 1.00 0.00 N ATOM 1201 CA VAL B 2 -1.635 -22.662 36.622 1.00 0.00 C ATOM 1202 C VAL B 2 -0.959 -24.032 36.626 1.00 0.00 C ATOM 1203 O VAL B 2 -1.635 -25.064 36.565 1.00 0.00 O ATOM 1204 CB VAL B 2 -1.201 -21.874 37.877 1.00 0.00 C ATOM 1205 CG1 VAL B 2 -1.751 -20.456 37.837 1.00 0.00 C ATOM 1206 CG2 VAL B 2 -1.650 -22.585 39.147 1.00 0.00 C ATOM 0 H VAL B 2 -3.540 -22.896 37.460 1.00 0.00 H new ATOM 0 HA VAL B 2 -1.321 -22.116 35.732 1.00 0.00 H new ATOM 0 HB VAL B 2 -0.112 -21.822 37.883 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -1.434 -19.917 38.730 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -1.374 -19.944 36.952 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -2.840 -20.489 37.801 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.333 -22.011 40.017 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -2.736 -22.676 39.149 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -1.203 -23.578 39.185 1.00 0.00 H new ATOM 1216 N GLU B 3 0.376 -24.020 36.678 1.00 0.00 N ATOM 1217 CA GLU B 3 1.205 -25.232 36.748 1.00 0.00 C ATOM 1218 C GLU B 3 1.286 -25.955 35.402 1.00 0.00 C ATOM 1219 O GLU B 3 2.375 -26.327 34.959 1.00 0.00 O ATOM 1220 CB GLU B 3 0.720 -26.193 37.841 1.00 0.00 C ATOM 1221 CG GLU B 3 0.918 -25.664 39.252 1.00 0.00 C ATOM 1222 CD GLU B 3 0.669 -26.722 40.305 1.00 0.00 C ATOM 1223 OE1 GLU B 3 1.561 -27.568 40.521 1.00 0.00 O ATOM 1224 OE2 GLU B 3 -0.412 -26.707 40.932 1.00 0.00 O ATOM 0 H GLU B 3 0.921 -23.158 36.673 1.00 0.00 H new ATOM 0 HA GLU B 3 2.209 -24.899 37.009 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -0.339 -26.401 37.686 1.00 0.00 H new ATOM 0 HB3 GLU B 3 1.249 -27.141 37.740 1.00 0.00 H new ATOM 0 HG2 GLU B 3 1.935 -25.284 39.355 1.00 0.00 H new ATOM 0 HG3 GLU B 3 0.245 -24.823 39.420 1.00 0.00 H new ATOM 1231 N ASN B 4 0.150 -26.158 34.759 1.00 0.00 N ATOM 1232 CA ASN B 4 0.115 -26.846 33.474 1.00 0.00 C ATOM 1233 C ASN B 4 0.510 -25.883 32.356 1.00 0.00 C ATOM 1234 O ASN B 4 -0.172 -24.884 32.120 1.00 0.00 O ATOM 1235 CB ASN B 4 -1.277 -27.433 33.224 1.00 0.00 C ATOM 1236 CG ASN B 4 -1.324 -28.334 32.003 1.00 0.00 C ATOM 1237 OD1 ASN B 4 -0.320 -28.937 31.619 1.00 0.00 O ATOM 1238 ND2 ASN B 4 -2.495 -28.455 31.402 1.00 0.00 N ATOM 0 H ASN B 4 -0.762 -25.858 35.103 1.00 0.00 H new ATOM 0 HA ASN B 4 0.831 -27.668 33.490 1.00 0.00 H new ATOM 0 HB2 ASN B 4 -1.590 -28.000 34.101 1.00 0.00 H new ATOM 0 HB3 ASN B 4 -1.992 -26.620 33.098 1.00 0.00 H new ATOM 0 HD21 ASN B 4 -2.591 -29.065 30.590 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -3.303 -27.939 31.750 1.00 0.00 H new ATOM 1245 N PRO B 5 1.629 -26.165 31.665 1.00 0.00 N ATOM 1246 CA PRO B 5 2.195 -25.268 30.650 1.00 0.00 C ATOM 1247 C PRO B 5 1.277 -25.061 29.446 1.00 0.00 C ATOM 1248 O PRO B 5 1.280 -25.846 28.497 1.00 0.00 O ATOM 1249 CB PRO B 5 3.492 -25.965 30.217 1.00 0.00 C ATOM 1250 CG PRO B 5 3.775 -26.971 31.281 1.00 0.00 C ATOM 1251 CD PRO B 5 2.438 -27.383 31.821 1.00 0.00 C ATOM 0 HA PRO B 5 2.347 -24.268 31.057 1.00 0.00 H new ATOM 0 HB2 PRO B 5 3.375 -26.444 29.245 1.00 0.00 H new ATOM 0 HB3 PRO B 5 4.310 -25.251 30.124 1.00 0.00 H new ATOM 0 HG2 PRO B 5 4.314 -27.828 30.876 1.00 0.00 H new ATOM 0 HG3 PRO B 5 4.399 -26.544 32.066 1.00 0.00 H new ATOM 0 HD2 PRO B 5 2.018 -28.220 31.264 1.00 0.00 H new ATOM 0 HD3 PRO B 5 2.502 -27.694 32.864 1.00 0.00 H new ATOM 1259 N MET B 6 0.468 -24.013 29.510 1.00 0.00 N ATOM 1260 CA MET B 6 -0.384 -23.630 28.392 1.00 0.00 C ATOM 1261 C MET B 6 0.095 -22.317 27.788 1.00 0.00 C ATOM 1262 O MET B 6 -0.368 -21.903 26.728 1.00 0.00 O ATOM 1263 CB MET B 6 -1.838 -23.487 28.842 1.00 0.00 C ATOM 1264 CG MET B 6 -2.507 -24.801 29.203 1.00 0.00 C ATOM 1265 SD MET B 6 -4.219 -24.575 29.723 1.00 0.00 S ATOM 1266 CE MET B 6 -4.741 -26.277 29.921 1.00 0.00 C ATOM 0 H MET B 6 0.383 -23.410 30.328 1.00 0.00 H new ATOM 0 HA MET B 6 -0.325 -24.415 27.638 1.00 0.00 H new ATOM 0 HB2 MET B 6 -1.876 -22.823 29.705 1.00 0.00 H new ATOM 0 HB3 MET B 6 -2.408 -23.008 28.046 1.00 0.00 H new ATOM 0 HG2 MET B 6 -2.476 -25.471 28.343 1.00 0.00 H new ATOM 0 HG3 MET B 6 -1.947 -25.284 30.004 1.00 0.00 H new ATOM 0 HE1 MET B 6 -5.737 -26.404 29.496 1.00 0.00 H new ATOM 0 HE2 MET B 6 -4.040 -26.935 29.407 1.00 0.00 H new ATOM 0 HE3 MET B 6 -4.764 -26.529 30.981 1.00 0.00 H new ATOM 1276 N VAL B 7 1.024 -21.667 28.472 1.00 0.00 N ATOM 1277 CA VAL B 7 1.535 -20.378 28.033 1.00 0.00 C ATOM 1278 C VAL B 7 3.032 -20.452 27.766 1.00 0.00 C ATOM 1279 O VAL B 7 3.769 -21.118 28.492 1.00 0.00 O ATOM 1280 CB VAL B 7 1.251 -19.264 29.068 1.00 0.00 C ATOM 1281 CG1 VAL B 7 -0.243 -19.010 29.183 1.00 0.00 C ATOM 1282 CG2 VAL B 7 1.834 -19.622 30.430 1.00 0.00 C ATOM 0 H VAL B 7 1.441 -22.013 29.336 1.00 0.00 H new ATOM 0 HA VAL B 7 1.014 -20.129 27.109 1.00 0.00 H new ATOM 0 HB VAL B 7 1.734 -18.351 28.720 1.00 0.00 H new ATOM 0 HG11 VAL B 7 -0.423 -18.223 29.916 1.00 0.00 H new ATOM 0 HG12 VAL B 7 -0.635 -18.700 28.214 1.00 0.00 H new ATOM 0 HG13 VAL B 7 -0.744 -19.924 29.502 1.00 0.00 H new ATOM 0 HG21 VAL B 7 1.620 -18.822 31.139 1.00 0.00 H new ATOM 0 HG22 VAL B 7 1.387 -20.550 30.785 1.00 0.00 H new ATOM 0 HG23 VAL B 7 2.913 -19.750 30.342 1.00 0.00 H new ATOM 1292 N ILE B 8 3.468 -19.783 26.711 1.00 0.00 N ATOM 1293 CA ILE B 8 4.881 -19.733 26.365 1.00 0.00 C ATOM 1294 C ILE B 8 5.325 -18.288 26.189 1.00 0.00 C ATOM 1295 O ILE B 8 4.496 -17.399 25.981 1.00 0.00 O ATOM 1296 CB ILE B 8 5.195 -20.527 25.076 1.00 0.00 C ATOM 1297 CG1 ILE B 8 4.355 -20.011 23.904 1.00 0.00 C ATOM 1298 CG2 ILE B 8 4.959 -22.017 25.297 1.00 0.00 C ATOM 1299 CD1 ILE B 8 4.688 -20.667 22.582 1.00 0.00 C ATOM 0 H ILE B 8 2.861 -19.264 26.076 1.00 0.00 H new ATOM 0 HA ILE B 8 5.430 -20.196 27.185 1.00 0.00 H new ATOM 0 HB ILE B 8 6.246 -20.380 24.829 1.00 0.00 H new ATOM 0 HG12 ILE B 8 3.300 -20.174 24.125 1.00 0.00 H new ATOM 0 HG13 ILE B 8 4.499 -18.934 23.812 1.00 0.00 H new ATOM 0 HG21 ILE B 8 5.185 -22.561 24.380 1.00 0.00 H new ATOM 0 HG22 ILE B 8 5.606 -22.373 26.099 1.00 0.00 H new ATOM 0 HG23 ILE B 8 3.917 -22.184 25.571 1.00 0.00 H new ATOM 0 HD11 ILE B 8 4.053 -20.251 21.799 1.00 0.00 H new ATOM 0 HD12 ILE B 8 5.734 -20.482 22.337 1.00 0.00 H new ATOM 0 HD13 ILE B 8 4.517 -21.741 22.655 1.00 0.00 H new ATOM 1311 N ASN B 9 6.623 -18.053 26.269 1.00 0.00 N ATOM 1312 CA ASN B 9 7.158 -16.704 26.160 1.00 0.00 C ATOM 1313 C ASN B 9 7.588 -16.421 24.731 1.00 0.00 C ATOM 1314 O ASN B 9 8.093 -17.305 24.041 1.00 0.00 O ATOM 1315 CB ASN B 9 8.343 -16.512 27.109 1.00 0.00 C ATOM 1316 CG ASN B 9 8.005 -16.870 28.542 1.00 0.00 C ATOM 1317 OD1 ASN B 9 8.207 -18.007 28.974 1.00 0.00 O ATOM 1318 ND2 ASN B 9 7.481 -15.911 29.290 1.00 0.00 N ATOM 0 H ASN B 9 7.327 -18.778 26.409 1.00 0.00 H new ATOM 0 HA ASN B 9 6.372 -16.003 26.440 1.00 0.00 H new ATOM 0 HB2 ASN B 9 9.177 -17.127 26.772 1.00 0.00 H new ATOM 0 HB3 ASN B 9 8.674 -15.474 27.066 1.00 0.00 H new ATOM 0 HD21 ASN B 9 7.229 -16.101 30.260 1.00 0.00 H new ATOM 0 HD22 ASN B 9 7.329 -14.982 28.896 1.00 0.00 H new ATOM 1325 N ASN B 10 7.374 -15.194 24.287 1.00 0.00 N ATOM 1326 CA ASN B 10 7.748 -14.791 22.941 1.00 0.00 C ATOM 1327 C ASN B 10 8.263 -13.361 22.951 1.00 0.00 C ATOM 1328 O ASN B 10 8.140 -12.661 23.958 1.00 0.00 O ATOM 1329 CB ASN B 10 6.562 -14.926 21.973 1.00 0.00 C ATOM 1330 CG ASN B 10 5.349 -14.113 22.393 1.00 0.00 C ATOM 1331 OD1 ASN B 10 4.493 -14.596 23.136 1.00 0.00 O ATOM 1332 ND2 ASN B 10 5.254 -12.878 21.916 1.00 0.00 N ATOM 0 H ASN B 10 6.941 -14.456 24.842 1.00 0.00 H new ATOM 0 HA ASN B 10 8.541 -15.453 22.593 1.00 0.00 H new ATOM 0 HB2 ASN B 10 6.876 -14.610 20.978 1.00 0.00 H new ATOM 0 HB3 ASN B 10 6.279 -15.976 21.900 1.00 0.00 H new ATOM 0 HD21 ASN B 10 4.453 -12.296 22.162 1.00 0.00 H new ATOM 0 HD22 ASN B 10 5.982 -12.511 21.303 1.00 0.00 H new ATOM 1339 N TRP B 11 8.829 -12.931 21.836 1.00 0.00 N ATOM 1340 CA TRP B 11 9.408 -11.600 21.733 1.00 0.00 C ATOM 1341 C TRP B 11 8.377 -10.587 21.266 1.00 0.00 C ATOM 1342 O TRP B 11 7.206 -10.918 21.065 1.00 0.00 O ATOM 1343 CB TRP B 11 10.590 -11.608 20.761 1.00 0.00 C ATOM 1344 CG TRP B 11 11.821 -12.246 21.319 1.00 0.00 C ATOM 1345 CD1 TRP B 11 12.038 -13.576 21.525 1.00 0.00 C ATOM 1346 CD2 TRP B 11 13.009 -11.572 21.739 1.00 0.00 C ATOM 1347 NE1 TRP B 11 13.288 -13.771 22.059 1.00 0.00 N ATOM 1348 CE2 TRP B 11 13.907 -12.556 22.194 1.00 0.00 C ATOM 1349 CE3 TRP B 11 13.403 -10.232 21.772 1.00 0.00 C ATOM 1350 CZ2 TRP B 11 15.172 -12.239 22.680 1.00 0.00 C ATOM 1351 CZ3 TRP B 11 14.659 -9.919 22.253 1.00 0.00 C ATOM 1352 CH2 TRP B 11 15.530 -10.920 22.699 1.00 0.00 C ATOM 0 H TRP B 11 8.901 -13.487 20.984 1.00 0.00 H new ATOM 0 HA TRP B 11 9.754 -11.312 22.726 1.00 0.00 H new ATOM 0 HB2 TRP B 11 10.298 -12.135 19.852 1.00 0.00 H new ATOM 0 HB3 TRP B 11 10.821 -10.582 20.475 1.00 0.00 H new ATOM 0 HD1 TRP B 11 11.331 -14.361 21.301 1.00 0.00 H new ATOM 0 HE1 TRP B 11 13.690 -14.673 22.314 1.00 0.00 H new ATOM 0 HE3 TRP B 11 12.737 -9.455 21.427 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 15.846 -13.007 23.029 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 14.974 -8.886 22.286 1.00 0.00 H new ATOM 0 HH2 TRP B 11 16.507 -10.644 23.067 1.00 0.00 H new ATOM 1363 N HIS B 12 8.818 -9.349 21.103 1.00 0.00 N ATOM 1364 CA HIS B 12 7.973 -8.307 20.549 1.00 0.00 C ATOM 1365 C HIS B 12 8.138 -8.303 19.036 1.00 0.00 C ATOM 1366 O HIS B 12 8.861 -7.481 18.475 1.00 0.00 O ATOM 1367 CB HIS B 12 8.319 -6.935 21.144 1.00 0.00 C ATOM 1368 CG HIS B 12 8.040 -6.828 22.614 1.00 0.00 C ATOM 1369 ND1 HIS B 12 7.138 -5.933 23.149 1.00 0.00 N ATOM 1370 CD2 HIS B 12 8.549 -7.514 23.666 1.00 0.00 C ATOM 1371 CE1 HIS B 12 7.103 -6.075 24.459 1.00 0.00 C ATOM 1372 NE2 HIS B 12 7.946 -7.028 24.796 1.00 0.00 N ATOM 0 H HIS B 12 9.760 -9.043 21.348 1.00 0.00 H new ATOM 0 HA HIS B 12 6.933 -8.510 20.804 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.374 -6.728 20.967 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.751 -6.167 20.618 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.291 -8.297 23.622 1.00 0.00 H new ATOM 0 HE1 HIS B 12 6.487 -5.506 25.140 1.00 0.00 H new ATOM 0 HE2 HIS B 12 8.122 -7.353 25.747 1.00 0.00 H new ATOM 1381 N ASP B 13 7.494 -9.275 18.402 1.00 0.00 N ATOM 1382 CA ASP B 13 7.646 -9.526 16.971 1.00 0.00 C ATOM 1383 C ASP B 13 7.296 -8.309 16.128 1.00 0.00 C ATOM 1384 O ASP B 13 8.080 -7.883 15.277 1.00 0.00 O ATOM 1385 CB ASP B 13 6.760 -10.700 16.550 1.00 0.00 C ATOM 1386 CG ASP B 13 7.202 -12.018 17.156 1.00 0.00 C ATOM 1387 OD1 ASP B 13 6.827 -12.303 18.314 1.00 0.00 O ATOM 1388 OD2 ASP B 13 7.917 -12.778 16.471 1.00 0.00 O ATOM 0 H ASP B 13 6.849 -9.915 18.866 1.00 0.00 H new ATOM 0 HA ASP B 13 8.696 -9.761 16.798 1.00 0.00 H new ATOM 0 HB2 ASP B 13 5.731 -10.497 16.846 1.00 0.00 H new ATOM 0 HB3 ASP B 13 6.769 -10.784 15.463 1.00 0.00 H new ATOM 1393 N LYS B 14 6.119 -7.753 16.354 1.00 0.00 N ATOM 1394 CA LYS B 14 5.629 -6.669 15.519 1.00 0.00 C ATOM 1395 C LYS B 14 5.844 -5.319 16.196 1.00 0.00 C ATOM 1396 O LYS B 14 4.971 -4.816 16.901 1.00 0.00 O ATOM 1397 CB LYS B 14 4.149 -6.885 15.191 1.00 0.00 C ATOM 1398 CG LYS B 14 3.860 -8.277 14.645 1.00 0.00 C ATOM 1399 CD LYS B 14 2.405 -8.444 14.242 1.00 0.00 C ATOM 1400 CE LYS B 14 2.091 -9.891 13.877 1.00 0.00 C ATOM 1401 NZ LYS B 14 2.964 -10.404 12.784 1.00 0.00 N ATOM 0 H LYS B 14 5.487 -8.032 17.105 1.00 0.00 H new ATOM 0 HA LYS B 14 6.195 -6.667 14.587 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.555 -6.723 16.091 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.831 -6.141 14.461 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.498 -8.467 13.782 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.114 -9.021 15.400 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.760 -8.126 15.061 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.185 -7.797 13.393 1.00 0.00 H new ATOM 0 HE2 LYS B 14 2.211 -10.520 14.759 1.00 0.00 H new ATOM 0 HE3 LYS B 14 1.048 -9.967 13.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.606 -11.324 12.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.962 -9.729 11.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.935 -10.517 13.139 1.00 0.00 H new ATOM 1415 N LEU B 15 7.030 -4.758 15.998 1.00 0.00 N ATOM 1416 CA LEU B 15 7.375 -3.459 16.568 1.00 0.00 C ATOM 1417 C LEU B 15 7.686 -2.453 15.463 1.00 0.00 C ATOM 1418 O LEU B 15 7.328 -1.279 15.556 1.00 0.00 O ATOM 1419 CB LEU B 15 8.582 -3.600 17.505 1.00 0.00 C ATOM 1420 CG LEU B 15 9.047 -2.309 18.183 1.00 0.00 C ATOM 1421 CD1 LEU B 15 7.972 -1.771 19.113 1.00 0.00 C ATOM 1422 CD2 LEU B 15 10.343 -2.547 18.944 1.00 0.00 C ATOM 0 H LEU B 15 7.773 -5.184 15.444 1.00 0.00 H new ATOM 0 HA LEU B 15 6.521 -3.094 17.139 1.00 0.00 H new ATOM 0 HB2 LEU B 15 8.336 -4.327 18.279 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.416 -4.011 16.935 1.00 0.00 H new ATOM 0 HG LEU B 15 9.231 -1.563 17.410 1.00 0.00 H new ATOM 0 HD11 LEU B 15 8.324 -0.853 19.584 1.00 0.00 H new ATOM 0 HD12 LEU B 15 7.068 -1.562 18.541 1.00 0.00 H new ATOM 0 HD13 LEU B 15 7.752 -2.512 19.882 1.00 0.00 H new ATOM 0 HD21 LEU B 15 10.661 -1.620 19.421 1.00 0.00 H new ATOM 0 HD22 LEU B 15 10.183 -3.310 19.706 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.115 -2.882 18.252 1.00 0.00 H new ATOM 1434 N THR B 16 8.347 -2.929 14.418 1.00 0.00 N ATOM 1435 CA THR B 16 8.748 -2.084 13.304 1.00 0.00 C ATOM 1436 C THR B 16 7.536 -1.661 12.469 1.00 0.00 C ATOM 1437 O THR B 16 6.512 -2.352 12.448 1.00 0.00 O ATOM 1438 CB THR B 16 9.746 -2.833 12.403 1.00 0.00 C ATOM 1439 OG1 THR B 16 10.558 -3.709 13.201 1.00 0.00 O ATOM 1440 CG2 THR B 16 10.645 -1.859 11.654 1.00 0.00 C ATOM 0 H THR B 16 8.619 -3.907 14.319 1.00 0.00 H new ATOM 0 HA THR B 16 9.220 -1.192 13.715 1.00 0.00 H new ATOM 0 HB THR B 16 9.177 -3.412 11.675 1.00 0.00 H new ATOM 0 HG1 THR B 16 11.191 -4.185 12.624 1.00 0.00 H new ATOM 0 HG21 THR B 16 11.340 -2.415 11.025 1.00 0.00 H new ATOM 0 HG22 THR B 16 10.034 -1.206 11.030 1.00 0.00 H new ATOM 0 HG23 THR B 16 11.205 -1.257 12.370 1.00 0.00 H new ATOM 1448 N GLU B 17 7.657 -0.522 11.796 1.00 0.00 N ATOM 1449 CA GLU B 17 6.604 -0.022 10.922 1.00 0.00 C ATOM 1450 C GLU B 17 6.377 -0.985 9.760 1.00 0.00 C ATOM 1451 O GLU B 17 7.303 -1.293 9.007 1.00 0.00 O ATOM 1452 CB GLU B 17 6.958 1.366 10.374 1.00 0.00 C ATOM 1453 CG GLU B 17 7.369 2.377 11.437 1.00 0.00 C ATOM 1454 CD GLU B 17 8.855 2.332 11.753 1.00 0.00 C ATOM 1455 OE1 GLU B 17 9.261 1.560 12.648 1.00 0.00 O ATOM 1456 OE2 GLU B 17 9.622 3.076 11.113 1.00 0.00 O ATOM 0 H GLU B 17 8.482 0.076 11.841 1.00 0.00 H new ATOM 0 HA GLU B 17 5.690 0.057 11.511 1.00 0.00 H new ATOM 0 HB2 GLU B 17 7.771 1.263 9.655 1.00 0.00 H new ATOM 0 HB3 GLU B 17 6.099 1.758 9.830 1.00 0.00 H new ATOM 0 HG2 GLU B 17 7.105 3.379 11.100 1.00 0.00 H new ATOM 0 HG3 GLU B 17 6.803 2.188 12.349 1.00 0.00 H new ATOM 1463 N THR B 18 5.149 -1.463 9.625 1.00 0.00 N ATOM 1464 CA THR B 18 4.808 -2.405 8.572 1.00 0.00 C ATOM 1465 C THR B 18 4.482 -1.690 7.262 1.00 0.00 C ATOM 1466 O THR B 18 5.317 -1.606 6.362 1.00 0.00 O ATOM 1467 CB THR B 18 3.619 -3.287 8.997 1.00 0.00 C ATOM 1468 OG1 THR B 18 2.577 -2.467 9.548 1.00 0.00 O ATOM 1469 CG2 THR B 18 4.050 -4.326 10.022 1.00 0.00 C ATOM 0 H THR B 18 4.370 -1.212 10.234 1.00 0.00 H new ATOM 0 HA THR B 18 5.681 -3.037 8.406 1.00 0.00 H new ATOM 0 HB THR B 18 3.247 -3.808 8.115 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.822 -3.032 9.815 1.00 0.00 H new ATOM 0 HG21 THR B 18 3.192 -4.935 10.305 1.00 0.00 H new ATOM 0 HG22 THR B 18 4.822 -4.964 9.591 1.00 0.00 H new ATOM 0 HG23 THR B 18 4.446 -3.824 10.905 1.00 0.00 H new ATOM 1477 N ASP B 19 3.264 -1.177 7.163 1.00 0.00 N ATOM 1478 CA ASP B 19 2.810 -0.469 5.968 1.00 0.00 C ATOM 1479 C ASP B 19 2.403 0.948 6.357 1.00 0.00 C ATOM 1480 O ASP B 19 1.798 1.691 5.582 1.00 0.00 O ATOM 1481 CB ASP B 19 1.635 -1.232 5.341 1.00 0.00 C ATOM 1482 CG ASP B 19 1.172 -0.662 4.011 1.00 0.00 C ATOM 1483 OD1 ASP B 19 1.981 -0.623 3.058 1.00 0.00 O ATOM 1484 OD2 ASP B 19 -0.007 -0.269 3.909 1.00 0.00 O ATOM 0 H ASP B 19 2.564 -1.238 7.902 1.00 0.00 H new ATOM 0 HA ASP B 19 3.611 -0.411 5.231 1.00 0.00 H new ATOM 0 HB2 ASP B 19 1.925 -2.273 5.198 1.00 0.00 H new ATOM 0 HB3 ASP B 19 0.798 -1.227 6.039 1.00 0.00 H new ATOM 1489 N VAL B 20 2.777 1.319 7.573 1.00 0.00 N ATOM 1490 CA VAL B 20 2.388 2.596 8.146 1.00 0.00 C ATOM 1491 C VAL B 20 3.468 3.645 7.915 1.00 0.00 C ATOM 1492 O VAL B 20 4.643 3.417 8.198 1.00 0.00 O ATOM 1493 CB VAL B 20 2.124 2.468 9.660 1.00 0.00 C ATOM 1494 CG1 VAL B 20 1.577 3.771 10.225 1.00 0.00 C ATOM 1495 CG2 VAL B 20 1.174 1.310 9.941 1.00 0.00 C ATOM 0 H VAL B 20 3.356 0.745 8.186 1.00 0.00 H new ATOM 0 HA VAL B 20 1.469 2.908 7.649 1.00 0.00 H new ATOM 0 HB VAL B 20 3.071 2.259 10.157 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.398 3.657 11.294 1.00 0.00 H new ATOM 0 HG12 VAL B 20 2.300 4.570 10.061 1.00 0.00 H new ATOM 0 HG13 VAL B 20 0.641 4.020 9.725 1.00 0.00 H new ATOM 0 HG21 VAL B 20 0.999 1.235 11.014 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.227 1.484 9.431 1.00 0.00 H new ATOM 0 HG23 VAL B 20 1.615 0.381 9.579 1.00 0.00 H new ATOM 1505 N GLN B 21 3.054 4.788 7.394 1.00 0.00 N ATOM 1506 CA GLN B 21 3.949 5.907 7.156 1.00 0.00 C ATOM 1507 C GLN B 21 3.233 7.205 7.505 1.00 0.00 C ATOM 1508 O GLN B 21 2.016 7.214 7.677 1.00 0.00 O ATOM 1509 CB GLN B 21 4.409 5.913 5.694 1.00 0.00 C ATOM 1510 CG GLN B 21 3.289 5.627 4.708 1.00 0.00 C ATOM 1511 CD GLN B 21 3.773 5.514 3.277 1.00 0.00 C ATOM 1512 OE1 GLN B 21 4.917 5.138 3.021 1.00 0.00 O ATOM 1513 NE2 GLN B 21 2.898 5.819 2.334 1.00 0.00 N ATOM 0 H GLN B 21 2.087 4.966 7.124 1.00 0.00 H new ATOM 0 HA GLN B 21 4.833 5.810 7.787 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.848 6.884 5.463 1.00 0.00 H new ATOM 0 HB3 GLN B 21 5.195 5.169 5.565 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.791 4.700 4.991 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.545 6.421 4.772 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.960 6.127 2.589 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.161 5.747 1.351 1.00 0.00 H new ATOM 1522 N ILE B 22 3.977 8.291 7.632 1.00 0.00 N ATOM 1523 CA ILE B 22 3.382 9.577 7.974 1.00 0.00 C ATOM 1524 C ILE B 22 3.898 10.664 7.037 1.00 0.00 C ATOM 1525 O ILE B 22 4.968 10.523 6.448 1.00 0.00 O ATOM 1526 CB ILE B 22 3.680 9.979 9.441 1.00 0.00 C ATOM 1527 CG1 ILE B 22 3.284 8.864 10.408 1.00 0.00 C ATOM 1528 CG2 ILE B 22 2.935 11.252 9.807 1.00 0.00 C ATOM 1529 CD1 ILE B 22 3.388 9.275 11.861 1.00 0.00 C ATOM 0 H ILE B 22 4.989 8.311 7.505 1.00 0.00 H new ATOM 0 HA ILE B 22 2.303 9.474 7.862 1.00 0.00 H new ATOM 0 HB ILE B 22 4.753 10.151 9.524 1.00 0.00 H new ATOM 0 HG12 ILE B 22 2.261 8.554 10.196 1.00 0.00 H new ATOM 0 HG13 ILE B 22 3.922 7.997 10.235 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.156 11.519 10.840 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.251 12.061 9.148 1.00 0.00 H new ATOM 0 HG23 ILE B 22 1.863 11.091 9.696 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.094 8.440 12.497 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.416 9.558 12.086 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.729 10.123 12.047 1.00 0.00 H new ATOM 1541 N ASP B 23 3.121 11.734 6.895 1.00 0.00 N ATOM 1542 CA ASP B 23 3.496 12.863 6.064 1.00 0.00 C ATOM 1543 C ASP B 23 4.483 13.776 6.800 1.00 0.00 C ATOM 1544 O ASP B 23 5.049 13.405 7.831 1.00 0.00 O ATOM 1545 CB ASP B 23 2.243 13.663 5.692 1.00 0.00 C ATOM 1546 CG ASP B 23 1.739 14.514 6.844 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.370 13.952 7.898 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.730 15.753 6.698 1.00 0.00 O ATOM 0 H ASP B 23 2.216 11.838 7.354 1.00 0.00 H new ATOM 0 HA ASP B 23 3.977 12.485 5.162 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.464 14.305 4.839 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.456 12.977 5.379 1.00 0.00 H new ATOM 1553 N PHE B 24 4.666 14.972 6.264 1.00 0.00 N ATOM 1554 CA PHE B 24 5.604 15.943 6.800 1.00 0.00 C ATOM 1555 C PHE B 24 5.102 16.543 8.116 1.00 0.00 C ATOM 1556 O PHE B 24 5.893 16.824 9.018 1.00 0.00 O ATOM 1557 CB PHE B 24 5.832 17.043 5.757 1.00 0.00 C ATOM 1558 CG PHE B 24 6.895 18.040 6.121 1.00 0.00 C ATOM 1559 CD1 PHE B 24 8.231 17.671 6.144 1.00 0.00 C ATOM 1560 CD2 PHE B 24 6.559 19.351 6.425 1.00 0.00 C ATOM 1561 CE1 PHE B 24 9.212 18.592 6.463 1.00 0.00 C ATOM 1562 CE2 PHE B 24 7.535 20.273 6.745 1.00 0.00 C ATOM 1563 CZ PHE B 24 8.862 19.893 6.765 1.00 0.00 C ATOM 0 H PHE B 24 4.163 15.298 5.438 1.00 0.00 H new ATOM 0 HA PHE B 24 6.546 15.439 7.017 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.099 16.576 4.809 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.894 17.574 5.597 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.509 16.654 5.910 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.522 19.654 6.411 1.00 0.00 H new ATOM 0 HE1 PHE B 24 10.250 18.294 6.476 1.00 0.00 H new ATOM 0 HE2 PHE B 24 7.261 21.291 6.980 1.00 0.00 H new ATOM 0 HZ PHE B 24 9.626 20.613 7.017 1.00 0.00 H new ATOM 1573 N TYR B 25 3.790 16.720 8.233 1.00 0.00 N ATOM 1574 CA TYR B 25 3.216 17.360 9.411 1.00 0.00 C ATOM 1575 C TYR B 25 3.095 16.394 10.583 1.00 0.00 C ATOM 1576 O TYR B 25 3.367 16.770 11.723 1.00 0.00 O ATOM 1577 CB TYR B 25 1.849 17.977 9.100 1.00 0.00 C ATOM 1578 CG TYR B 25 1.927 19.310 8.384 1.00 0.00 C ATOM 1579 CD1 TYR B 25 3.075 20.093 8.450 1.00 0.00 C ATOM 1580 CD2 TYR B 25 0.846 19.792 7.659 1.00 0.00 C ATOM 1581 CE1 TYR B 25 3.142 21.315 7.810 1.00 0.00 C ATOM 1582 CE2 TYR B 25 0.907 21.014 7.015 1.00 0.00 C ATOM 1583 CZ TYR B 25 2.057 21.771 7.094 1.00 0.00 C ATOM 1584 OH TYR B 25 2.121 22.989 6.454 1.00 0.00 O ATOM 0 H TYR B 25 3.108 16.431 7.531 1.00 0.00 H new ATOM 0 HA TYR B 25 3.903 18.156 9.698 1.00 0.00 H new ATOM 0 HB2 TYR B 25 1.277 17.280 8.488 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.299 18.108 10.032 1.00 0.00 H new ATOM 0 HD1 TYR B 25 3.928 19.740 9.011 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -0.057 19.203 7.597 1.00 0.00 H new ATOM 0 HE1 TYR B 25 4.041 21.910 7.871 1.00 0.00 H new ATOM 0 HE2 TYR B 25 0.058 21.374 6.453 1.00 0.00 H new ATOM 0 HH TYR B 25 1.273 23.162 5.994 1.00 0.00 H new ATOM 1594 N GLY B 26 2.687 15.160 10.319 1.00 0.00 N ATOM 1595 CA GLY B 26 2.557 14.201 11.392 1.00 0.00 C ATOM 1596 C GLY B 26 1.137 13.705 11.565 1.00 0.00 C ATOM 1597 O GLY B 26 0.675 13.515 12.688 1.00 0.00 O ATOM 0 H GLY B 26 2.447 14.811 9.391 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.212 13.352 11.196 1.00 0.00 H new ATOM 0 HA3 GLY B 26 2.894 14.656 12.323 1.00 0.00 H new ATOM 1601 N ASP B 27 0.432 13.507 10.461 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.906 12.939 10.524 1.00 0.00 C ATOM 1603 C ASP B 27 -0.800 11.417 10.523 1.00 0.00 C ATOM 1604 O ASP B 27 -0.622 10.803 11.576 1.00 0.00 O ATOM 1605 CB ASP B 27 -1.760 13.420 9.342 1.00 0.00 C ATOM 1606 CG ASP B 27 -3.241 13.131 9.524 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -3.652 11.959 9.406 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -4.005 14.085 9.774 1.00 0.00 O ATOM 0 H ASP B 27 0.759 13.728 9.521 1.00 0.00 H new ATOM 0 HA ASP B 27 -1.394 13.270 11.441 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -1.618 14.493 9.211 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -1.411 12.938 8.429 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.886 10.838 9.328 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.678 9.410 9.095 1.00 0.00 C ATOM 1615 C GLU B 28 -1.128 9.088 7.684 1.00 0.00 C ATOM 1616 O GLU B 28 -2.283 9.335 7.333 1.00 0.00 O ATOM 1617 CB GLU B 28 -1.464 8.536 10.075 1.00 0.00 C ATOM 1618 CG GLU B 28 -0.996 7.093 10.108 1.00 0.00 C ATOM 1619 CD GLU B 28 -1.793 6.249 11.079 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -2.872 5.755 10.702 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -1.344 6.081 12.235 1.00 0.00 O ATOM 0 H GLU B 28 -1.106 11.357 8.478 1.00 0.00 H new ATOM 0 HA GLU B 28 0.381 9.195 9.241 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.380 8.960 11.076 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.520 8.561 9.806 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.076 6.665 9.109 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.058 7.062 10.384 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.235 8.553 6.876 1.00 0.00 N ATOM 1629 CA VAL B 29 -0.570 8.259 5.498 1.00 0.00 C ATOM 1630 C VAL B 29 -0.589 6.761 5.264 1.00 0.00 C ATOM 1631 O VAL B 29 0.362 6.049 5.585 1.00 0.00 O ATOM 1632 CB VAL B 29 0.405 8.907 4.503 1.00 0.00 C ATOM 1633 CG1 VAL B 29 -0.145 8.786 3.092 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.663 10.362 4.858 1.00 0.00 C ATOM 0 H VAL B 29 0.719 8.315 7.146 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.560 8.680 5.325 1.00 0.00 H new ATOM 0 HB VAL B 29 1.358 8.381 4.558 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.550 9.247 2.390 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.271 7.733 2.840 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -1.109 9.291 3.033 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.356 10.795 4.137 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.276 10.914 4.835 1.00 0.00 H new ATOM 0 HG23 VAL B 29 1.094 10.422 5.857 1.00 0.00 H new ATOM 1644 N THR B 30 -1.685 6.295 4.711 1.00 0.00 N ATOM 1645 CA THR B 30 -1.852 4.895 4.399 1.00 0.00 C ATOM 1646 C THR B 30 -2.194 4.762 2.912 1.00 0.00 C ATOM 1647 O THR B 30 -2.464 5.767 2.259 1.00 0.00 O ATOM 1648 CB THR B 30 -2.963 4.282 5.282 1.00 0.00 C ATOM 1649 OG1 THR B 30 -4.202 4.970 5.064 1.00 0.00 O ATOM 1650 CG2 THR B 30 -2.590 4.369 6.762 1.00 0.00 C ATOM 0 H THR B 30 -2.486 6.876 4.465 1.00 0.00 H new ATOM 0 HA THR B 30 -0.929 4.352 4.604 1.00 0.00 H new ATOM 0 HB THR B 30 -3.074 3.233 5.007 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.020 5.894 4.793 1.00 0.00 H new ATOM 0 HG21 THR B 30 -3.386 3.932 7.364 1.00 0.00 H new ATOM 0 HG22 THR B 30 -1.662 3.824 6.936 1.00 0.00 H new ATOM 0 HG23 THR B 30 -2.455 5.414 7.042 1.00 0.00 H new ATOM 1658 N PRO B 31 -2.189 3.542 2.343 1.00 0.00 N ATOM 1659 CA PRO B 31 -2.529 3.329 0.921 1.00 0.00 C ATOM 1660 C PRO B 31 -4.009 3.592 0.611 1.00 0.00 C ATOM 1661 O PRO B 31 -4.530 3.155 -0.417 1.00 0.00 O ATOM 1662 CB PRO B 31 -2.189 1.853 0.692 1.00 0.00 C ATOM 1663 CG PRO B 31 -2.282 1.230 2.039 1.00 0.00 C ATOM 1664 CD PRO B 31 -1.829 2.281 3.013 1.00 0.00 C ATOM 0 HA PRO B 31 -1.986 4.016 0.273 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -2.886 1.390 -0.007 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -1.190 1.738 0.271 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -3.303 0.914 2.253 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -1.653 0.342 2.103 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -2.330 2.180 3.976 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -0.758 2.218 3.203 1.00 0.00 H new ATOM 1672 N VAL B 32 -4.676 4.306 1.505 1.00 0.00 N ATOM 1673 CA VAL B 32 -6.068 4.677 1.318 1.00 0.00 C ATOM 1674 C VAL B 32 -6.172 6.169 1.033 1.00 0.00 C ATOM 1675 O VAL B 32 -7.048 6.613 0.286 1.00 0.00 O ATOM 1676 CB VAL B 32 -6.915 4.343 2.562 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -8.391 4.605 2.305 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -6.693 2.900 2.996 1.00 0.00 C ATOM 0 H VAL B 32 -4.268 4.643 2.377 1.00 0.00 H new ATOM 0 HA VAL B 32 -6.452 4.104 0.474 1.00 0.00 H new ATOM 0 HB VAL B 32 -6.592 4.997 3.372 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -8.965 4.361 3.199 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -8.536 5.656 2.057 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -8.731 3.986 1.475 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -7.301 2.687 3.875 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -6.978 2.228 2.186 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -5.641 2.750 3.237 1.00 0.00 H new ATOM 1688 N ASP B 33 -5.262 6.934 1.623 1.00 0.00 N ATOM 1689 CA ASP B 33 -5.259 8.378 1.470 1.00 0.00 C ATOM 1690 C ASP B 33 -4.163 8.825 0.513 1.00 0.00 C ATOM 1691 O ASP B 33 -3.030 8.352 0.566 1.00 0.00 O ATOM 1692 CB ASP B 33 -5.148 9.084 2.831 1.00 0.00 C ATOM 1693 CG ASP B 33 -4.011 8.576 3.696 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -4.085 7.418 4.170 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -3.059 9.343 3.933 1.00 0.00 O ATOM 0 H ASP B 33 -4.514 6.573 2.215 1.00 0.00 H new ATOM 0 HA ASP B 33 -6.214 8.670 1.033 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -5.015 10.153 2.665 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -6.086 8.959 3.371 1.00 0.00 H new ATOM 1700 N ASP B 34 -4.537 9.729 -0.382 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.662 10.188 -1.454 1.00 0.00 C ATOM 1702 C ASP B 34 -2.536 11.051 -0.901 1.00 0.00 C ATOM 1703 O ASP B 34 -2.768 11.936 -0.068 1.00 0.00 O ATOM 1704 CB ASP B 34 -4.466 10.989 -2.483 1.00 0.00 C ATOM 1705 CG ASP B 34 -5.746 10.290 -2.905 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -6.794 10.517 -2.257 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -5.718 9.520 -3.892 1.00 0.00 O ATOM 0 H ASP B 34 -5.458 10.166 -0.386 1.00 0.00 H new ATOM 0 HA ASP B 34 -3.227 9.313 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.712 11.965 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.847 11.166 -3.363 1.00 0.00 H new ATOM 1712 N TYR B 35 -1.322 10.811 -1.380 1.00 0.00 N ATOM 1713 CA TYR B 35 -0.157 11.528 -0.895 1.00 0.00 C ATOM 1714 C TYR B 35 0.912 11.610 -1.973 1.00 0.00 C ATOM 1715 O TYR B 35 0.852 10.905 -2.971 1.00 0.00 O ATOM 1716 CB TYR B 35 0.416 10.834 0.341 1.00 0.00 C ATOM 1717 CG TYR B 35 1.093 9.508 0.050 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.351 8.354 -0.181 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.477 9.413 0.021 1.00 0.00 C ATOM 1720 CE1 TYR B 35 0.971 7.146 -0.435 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.102 8.209 -0.229 1.00 0.00 C ATOM 1722 CZ TYR B 35 2.348 7.080 -0.455 1.00 0.00 C ATOM 1723 OH TYR B 35 2.975 5.878 -0.691 1.00 0.00 O ATOM 0 H TYR B 35 -1.122 10.123 -2.106 1.00 0.00 H new ATOM 0 HA TYR B 35 -0.468 12.538 -0.630 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.135 11.500 0.817 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -0.389 10.669 1.057 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.728 8.403 -0.161 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.074 10.295 0.197 1.00 0.00 H new ATOM 0 HE1 TYR B 35 0.381 6.260 -0.617 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.180 8.152 -0.247 1.00 0.00 H new ATOM 0 HH TYR B 35 3.946 6.006 -0.672 1.00 0.00 H new ATOM 1733 N VAL B 36 1.892 12.464 -1.756 1.00 0.00 N ATOM 1734 CA VAL B 36 2.996 12.630 -2.688 1.00 0.00 C ATOM 1735 C VAL B 36 4.301 12.690 -1.910 1.00 0.00 C ATOM 1736 O VAL B 36 4.320 13.158 -0.772 1.00 0.00 O ATOM 1737 CB VAL B 36 2.814 13.912 -3.536 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.021 14.190 -4.418 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.558 13.813 -4.387 1.00 0.00 C ATOM 0 H VAL B 36 1.948 13.062 -0.932 1.00 0.00 H new ATOM 0 HA VAL B 36 3.017 11.780 -3.370 1.00 0.00 H new ATOM 0 HB VAL B 36 2.714 14.746 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL B 36 3.849 15.099 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL B 36 4.906 14.318 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.175 13.352 -5.098 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.445 14.723 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.638 12.955 -5.055 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.689 13.690 -3.740 1.00 0.00 H new ATOM 1749 N ILE B 37 5.376 12.181 -2.494 1.00 0.00 N ATOM 1750 CA ILE B 37 6.664 12.189 -1.826 1.00 0.00 C ATOM 1751 C ILE B 37 7.637 13.119 -2.549 1.00 0.00 C ATOM 1752 O ILE B 37 7.961 12.928 -3.741 1.00 0.00 O ATOM 1753 CB ILE B 37 7.253 10.763 -1.683 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.239 9.839 -1.001 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.547 10.793 -0.886 1.00 0.00 C ATOM 1756 CD1 ILE B 37 6.720 8.410 -0.842 1.00 0.00 C ATOM 0 H ILE B 37 5.380 11.760 -3.423 1.00 0.00 H new ATOM 0 HA ILE B 37 6.509 12.570 -0.816 1.00 0.00 H new ATOM 0 HB ILE B 37 7.470 10.380 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE B 37 5.999 10.243 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.315 9.839 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE B 37 8.943 9.781 -0.798 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.274 11.424 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.353 11.195 0.108 1.00 0.00 H new ATOM 0 HD11 ILE B 37 5.947 7.818 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE B 37 6.933 7.986 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE B 37 7.626 8.396 -0.237 1.00 0.00 H new ATOM 1768 N ASP B 38 8.069 14.136 -1.808 1.00 0.00 N ATOM 1769 CA ASP B 38 8.969 15.163 -2.309 1.00 0.00 C ATOM 1770 C ASP B 38 10.399 14.861 -1.906 1.00 0.00 C ATOM 1771 O ASP B 38 10.853 15.251 -0.832 1.00 0.00 O ATOM 1772 CB ASP B 38 8.580 16.549 -1.776 1.00 0.00 C ATOM 1773 CG ASP B 38 7.531 17.251 -2.618 1.00 0.00 C ATOM 1774 OD1 ASP B 38 6.543 16.602 -3.008 1.00 0.00 O ATOM 1775 OD2 ASP B 38 7.709 18.462 -2.902 1.00 0.00 O ATOM 0 H ASP B 38 7.800 14.269 -0.833 1.00 0.00 H new ATOM 0 HA ASP B 38 8.888 15.166 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP B 38 8.207 16.446 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.472 17.174 -1.727 1.00 0.00 H new ATOM 1780 N GLY B 39 11.081 14.107 -2.746 1.00 0.00 N ATOM 1781 CA GLY B 39 12.504 13.885 -2.567 1.00 0.00 C ATOM 1782 C GLY B 39 12.832 13.008 -1.377 1.00 0.00 C ATOM 1783 O GLY B 39 13.932 13.075 -0.840 1.00 0.00 O ATOM 0 H GLY B 39 10.675 13.639 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY B 39 12.909 13.426 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY B 39 13.002 14.847 -2.448 1.00 0.00 H new ATOM 1787 N GLY B 40 11.884 12.181 -0.967 1.00 0.00 N ATOM 1788 CA GLY B 40 12.125 11.286 0.146 1.00 0.00 C ATOM 1789 C GLY B 40 11.190 11.541 1.309 1.00 0.00 C ATOM 1790 O GLY B 40 10.942 10.651 2.120 1.00 0.00 O ATOM 0 H GLY B 40 10.955 12.113 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY B 40 12.010 10.255 -0.189 1.00 0.00 H new ATOM 0 HA3 GLY B 40 13.156 11.398 0.482 1.00 0.00 H new ATOM 1794 N GLU B 41 10.665 12.754 1.396 1.00 0.00 N ATOM 1795 CA GLU B 41 9.735 13.098 2.462 1.00 0.00 C ATOM 1796 C GLU B 41 8.297 12.984 1.974 1.00 0.00 C ATOM 1797 O GLU B 41 7.980 13.375 0.855 1.00 0.00 O ATOM 1798 CB GLU B 41 10.021 14.502 2.988 1.00 0.00 C ATOM 1799 CG GLU B 41 11.412 14.637 3.583 1.00 0.00 C ATOM 1800 CD GLU B 41 11.684 16.012 4.149 1.00 0.00 C ATOM 1801 OE1 GLU B 41 12.103 16.902 3.383 1.00 0.00 O ATOM 1802 OE2 GLU B 41 11.509 16.199 5.372 1.00 0.00 O ATOM 0 H GLU B 41 10.865 13.513 0.745 1.00 0.00 H new ATOM 0 HA GLU B 41 9.872 12.393 3.282 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.908 15.219 2.175 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.281 14.759 3.746 1.00 0.00 H new ATOM 0 HG2 GLU B 41 11.537 13.895 4.371 1.00 0.00 H new ATOM 0 HG3 GLU B 41 12.152 14.414 2.815 1.00 0.00 H new ATOM 1809 N ILE B 42 7.441 12.433 2.819 1.00 0.00 N ATOM 1810 CA ILE B 42 6.048 12.184 2.469 1.00 0.00 C ATOM 1811 C ILE B 42 5.186 13.390 2.810 1.00 0.00 C ATOM 1812 O ILE B 42 5.356 13.994 3.859 1.00 0.00 O ATOM 1813 CB ILE B 42 5.512 10.948 3.225 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.376 9.729 2.911 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.057 10.676 2.867 1.00 0.00 C ATOM 1816 CD1 ILE B 42 6.024 8.501 3.724 1.00 0.00 C ATOM 0 H ILE B 42 7.689 12.145 3.766 1.00 0.00 H new ATOM 0 HA ILE B 42 6.001 12.000 1.396 1.00 0.00 H new ATOM 0 HB ILE B 42 5.561 11.151 4.295 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.280 9.491 1.852 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.421 9.982 3.087 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.705 9.801 3.413 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.449 11.540 3.135 1.00 0.00 H new ATOM 0 HG23 ILE B 42 3.974 10.493 1.796 1.00 0.00 H new ATOM 0 HD11 ILE B 42 6.681 7.678 3.443 1.00 0.00 H new ATOM 0 HD12 ILE B 42 6.148 8.719 4.785 1.00 0.00 H new ATOM 0 HD13 ILE B 42 4.989 8.221 3.530 1.00 0.00 H new ATOM 1828 N ILE B 43 4.283 13.757 1.912 1.00 0.00 N ATOM 1829 CA ILE B 43 3.332 14.826 2.183 1.00 0.00 C ATOM 1830 C ILE B 43 1.940 14.402 1.739 1.00 0.00 C ATOM 1831 O ILE B 43 1.771 13.886 0.633 1.00 0.00 O ATOM 1832 CB ILE B 43 3.686 16.151 1.452 1.00 0.00 C ATOM 1833 CG1 ILE B 43 5.155 16.533 1.639 1.00 0.00 C ATOM 1834 CG2 ILE B 43 2.795 17.283 1.943 1.00 0.00 C ATOM 1835 CD1 ILE B 43 6.077 15.901 0.621 1.00 0.00 C ATOM 0 H ILE B 43 4.189 13.331 0.990 1.00 0.00 H new ATOM 0 HA ILE B 43 3.371 15.007 3.257 1.00 0.00 H new ATOM 0 HB ILE B 43 3.515 15.987 0.388 1.00 0.00 H new ATOM 0 HG12 ILE B 43 5.251 17.617 1.580 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.474 16.239 2.639 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.056 18.204 1.421 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.752 17.037 1.745 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.938 17.420 3.015 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.103 16.216 0.814 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.011 14.816 0.694 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.783 16.216 -0.381 1.00 0.00 H new ATOM 1847 N LEU B 44 0.952 14.581 2.609 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.443 14.411 2.213 1.00 0.00 C ATOM 1849 C LEU B 44 -0.736 15.241 0.976 1.00 0.00 C ATOM 1850 O LEU B 44 -0.288 16.383 0.869 1.00 0.00 O ATOM 1851 CB LEU B 44 -1.385 14.846 3.333 1.00 0.00 C ATOM 1852 CG LEU B 44 -1.412 13.936 4.548 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.215 14.567 5.672 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -1.991 12.580 4.178 1.00 0.00 C ATOM 0 H LEU B 44 1.088 14.842 3.586 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.605 13.354 2.001 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.101 15.848 3.656 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -2.395 14.916 2.929 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.389 13.795 4.896 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -2.222 13.899 6.533 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.762 15.518 5.954 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.238 14.738 5.337 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.004 11.938 5.058 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.008 12.708 3.806 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -1.377 12.121 3.403 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.518 14.690 0.057 1.00 0.00 N ATOM 1867 CA ARG B 45 -1.875 15.416 -1.156 1.00 0.00 C ATOM 1868 C ARG B 45 -2.773 16.606 -0.804 1.00 0.00 C ATOM 1869 O ARG B 45 -3.093 17.433 -1.654 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.574 14.492 -2.159 1.00 0.00 C ATOM 1871 CG ARG B 45 -2.061 14.629 -3.592 1.00 0.00 C ATOM 1872 CD ARG B 45 -2.159 16.061 -4.090 1.00 0.00 C ATOM 1873 NE ARG B 45 -1.864 16.187 -5.516 1.00 0.00 N ATOM 1874 CZ ARG B 45 -2.801 16.342 -6.452 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -4.084 16.296 -6.118 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -2.458 16.534 -7.717 1.00 0.00 N ATOM 0 H ARG B 45 -1.914 13.753 0.126 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.962 15.787 -1.622 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -2.447 13.459 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.644 14.701 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.024 14.297 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.636 13.975 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -3.162 16.440 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.468 16.686 -3.524 1.00 0.00 H new ATOM 0 HE ARG B 45 -0.888 16.155 -5.811 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -4.353 16.142 -5.146 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.802 16.414 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -1.473 16.564 -7.979 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -3.179 16.652 -8.429 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.146 16.702 0.469 1.00 0.00 N ATOM 1891 CA GLU B 46 -3.996 17.786 0.941 1.00 0.00 C ATOM 1892 C GLU B 46 -3.187 19.077 1.084 1.00 0.00 C ATOM 1893 O GLU B 46 -3.725 20.175 0.979 1.00 0.00 O ATOM 1894 CB GLU B 46 -4.627 17.413 2.283 1.00 0.00 C ATOM 1895 CG GLU B 46 -5.277 16.036 2.290 1.00 0.00 C ATOM 1896 CD GLU B 46 -6.267 15.847 1.158 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -7.273 16.584 1.113 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -6.046 14.957 0.308 1.00 0.00 O ATOM 0 H GLU B 46 -2.871 16.039 1.193 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.787 17.950 0.209 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -3.861 17.448 3.057 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -5.377 18.161 2.543 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.502 15.273 2.219 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.787 15.885 3.241 1.00 0.00 H new ATOM 1905 N ASN B 47 -1.885 18.930 1.310 1.00 0.00 N ATOM 1906 CA ASN B 47 -0.994 20.075 1.496 1.00 0.00 C ATOM 1907 C ASN B 47 0.120 20.038 0.452 1.00 0.00 C ATOM 1908 O ASN B 47 1.033 20.865 0.449 1.00 0.00 O ATOM 1909 CB ASN B 47 -0.388 20.038 2.905 1.00 0.00 C ATOM 1910 CG ASN B 47 0.476 21.246 3.219 1.00 0.00 C ATOM 1911 OD1 ASN B 47 0.161 22.373 2.836 1.00 0.00 O ATOM 1912 ND2 ASN B 47 1.585 21.009 3.898 1.00 0.00 N ATOM 0 H ASN B 47 -1.420 18.024 1.369 1.00 0.00 H new ATOM 0 HA ASN B 47 -1.565 20.996 1.377 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -1.193 19.975 3.638 1.00 0.00 H new ATOM 0 HB3 ASN B 47 0.211 19.134 3.012 1.00 0.00 H new ATOM 0 HD21 ASN B 47 2.218 21.776 4.124 1.00 0.00 H new ATOM 0 HD22 ASN B 47 1.807 20.059 4.196 1.00 0.00 H new ATOM 1919 N LEU B 48 0.016 19.083 -0.453 1.00 0.00 N ATOM 1920 CA LEU B 48 1.090 18.789 -1.389 1.00 0.00 C ATOM 1921 C LEU B 48 1.317 19.933 -2.379 1.00 0.00 C ATOM 1922 O LEU B 48 2.457 20.238 -2.715 1.00 0.00 O ATOM 1923 CB LEU B 48 0.788 17.472 -2.110 1.00 0.00 C ATOM 1924 CG LEU B 48 1.906 16.908 -2.990 1.00 0.00 C ATOM 1925 CD1 LEU B 48 1.860 17.510 -4.384 1.00 0.00 C ATOM 1926 CD2 LEU B 48 3.269 17.137 -2.348 1.00 0.00 C ATOM 0 H LEU B 48 -0.808 18.492 -0.562 1.00 0.00 H new ATOM 0 HA LEU B 48 2.019 18.683 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.532 16.723 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.096 17.617 -2.731 1.00 0.00 H new ATOM 0 HG LEU B 48 1.749 15.833 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU B 48 2.665 17.092 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU B 48 0.901 17.280 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.981 18.591 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU B 48 4.048 16.728 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU B 48 3.433 18.206 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU B 48 3.302 16.641 -1.378 1.00 0.00 H new ATOM 1938 N GLU B 49 0.247 20.572 -2.832 1.00 0.00 N ATOM 1939 CA GLU B 49 0.378 21.673 -3.786 1.00 0.00 C ATOM 1940 C GLU B 49 1.240 22.792 -3.205 1.00 0.00 C ATOM 1941 O GLU B 49 2.068 23.380 -3.900 1.00 0.00 O ATOM 1942 CB GLU B 49 -0.999 22.207 -4.184 1.00 0.00 C ATOM 1943 CG GLU B 49 -1.832 21.202 -4.962 1.00 0.00 C ATOM 1944 CD GLU B 49 -1.117 20.700 -6.201 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -1.020 21.461 -7.189 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -0.637 19.549 -6.192 1.00 0.00 O ATOM 0 H GLU B 49 -0.712 20.353 -2.561 1.00 0.00 H new ATOM 0 HA GLU B 49 0.871 21.292 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -1.541 22.499 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -0.872 23.107 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.074 20.357 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -2.776 21.663 -5.252 1.00 0.00 H new ATOM 1953 N ARG B 50 1.054 23.059 -1.919 1.00 0.00 N ATOM 1954 CA ARG B 50 1.862 24.039 -1.207 1.00 0.00 C ATOM 1955 C ARG B 50 3.323 23.592 -1.169 1.00 0.00 C ATOM 1956 O ARG B 50 4.246 24.400 -1.339 1.00 0.00 O ATOM 1957 CB ARG B 50 1.318 24.220 0.217 1.00 0.00 C ATOM 1958 CG ARG B 50 2.235 25.006 1.142 1.00 0.00 C ATOM 1959 CD ARG B 50 2.334 26.472 0.752 1.00 0.00 C ATOM 1960 NE ARG B 50 3.418 27.133 1.474 1.00 0.00 N ATOM 1961 CZ ARG B 50 3.276 28.210 2.241 1.00 0.00 C ATOM 1962 NH1 ARG B 50 2.094 28.802 2.368 1.00 0.00 N ATOM 1963 NH2 ARG B 50 4.332 28.695 2.885 1.00 0.00 N ATOM 0 H ARG B 50 0.344 22.606 -1.344 1.00 0.00 H new ATOM 0 HA ARG B 50 1.809 24.994 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG B 50 0.354 24.726 0.164 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.138 23.237 0.652 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.867 24.929 2.165 1.00 0.00 H new ATOM 0 HG3 ARG B 50 3.230 24.561 1.127 1.00 0.00 H new ATOM 0 HD2 ARG B 50 2.503 26.556 -0.322 1.00 0.00 H new ATOM 0 HD3 ARG B 50 1.390 26.974 0.966 1.00 0.00 H new ATOM 0 HE ARG B 50 4.354 26.739 1.383 1.00 0.00 H new ATOM 0 HH11 ARG B 50 1.282 28.431 1.874 1.00 0.00 H new ATOM 0 HH12 ARG B 50 1.998 29.628 2.959 1.00 0.00 H new ATOM 0 HH21 ARG B 50 5.241 28.242 2.789 1.00 0.00 H new ATOM 0 HH22 ARG B 50 4.234 29.521 3.476 1.00 0.00 H new ATOM 1977 N TYR B 51 3.528 22.300 -0.972 1.00 0.00 N ATOM 1978 CA TYR B 51 4.867 21.753 -0.854 1.00 0.00 C ATOM 1979 C TYR B 51 5.580 21.776 -2.207 1.00 0.00 C ATOM 1980 O TYR B 51 6.764 22.076 -2.276 1.00 0.00 O ATOM 1981 CB TYR B 51 4.820 20.335 -0.290 1.00 0.00 C ATOM 1982 CG TYR B 51 5.992 20.010 0.610 1.00 0.00 C ATOM 1983 CD1 TYR B 51 6.001 20.425 1.935 1.00 0.00 C ATOM 1984 CD2 TYR B 51 7.084 19.298 0.138 1.00 0.00 C ATOM 1985 CE1 TYR B 51 7.066 20.135 2.766 1.00 0.00 C ATOM 1986 CE2 TYR B 51 8.154 19.003 0.963 1.00 0.00 C ATOM 1987 CZ TYR B 51 8.138 19.424 2.275 1.00 0.00 C ATOM 1988 OH TYR B 51 9.200 19.137 3.102 1.00 0.00 O ATOM 0 H TYR B 51 2.781 21.610 -0.890 1.00 0.00 H new ATOM 0 HA TYR B 51 5.433 22.376 -0.161 1.00 0.00 H new ATOM 0 HB2 TYR B 51 3.894 20.205 0.270 1.00 0.00 H new ATOM 0 HB3 TYR B 51 4.796 19.624 -1.116 1.00 0.00 H new ATOM 0 HD1 TYR B 51 5.162 20.984 2.322 1.00 0.00 H new ATOM 0 HD2 TYR B 51 7.099 18.968 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR B 51 7.058 20.464 3.795 1.00 0.00 H new ATOM 0 HE2 TYR B 51 8.997 18.446 0.581 1.00 0.00 H new ATOM 0 HH TYR B 51 8.866 18.879 3.986 1.00 0.00 H new ATOM 1998 N LEU B 52 4.847 21.487 -3.280 1.00 0.00 N ATOM 1999 CA LEU B 52 5.409 21.574 -4.630 1.00 0.00 C ATOM 2000 C LEU B 52 5.722 23.019 -4.995 1.00 0.00 C ATOM 2001 O LEU B 52 6.566 23.287 -5.846 1.00 0.00 O ATOM 2002 CB LEU B 52 4.460 20.990 -5.681 1.00 0.00 C ATOM 2003 CG LEU B 52 4.314 19.470 -5.678 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.576 19.016 -6.928 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.673 18.796 -5.593 1.00 0.00 C ATOM 0 H LEU B 52 3.871 21.193 -3.245 1.00 0.00 H new ATOM 0 HA LEU B 52 6.328 20.988 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.474 21.430 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.806 21.300 -6.667 1.00 0.00 H new ATOM 0 HG LEU B 52 3.737 19.180 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU B 52 3.476 17.931 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.586 19.471 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU B 52 4.136 19.320 -7.812 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.543 17.714 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.278 19.088 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.174 19.102 -4.674 1.00 0.00 H new ATOM 2017 N ARG B 53 5.026 23.946 -4.366 1.00 0.00 N ATOM 2018 CA ARG B 53 5.281 25.358 -4.588 1.00 0.00 C ATOM 2019 C ARG B 53 6.623 25.766 -3.987 1.00 0.00 C ATOM 2020 O ARG B 53 7.376 26.530 -4.592 1.00 0.00 O ATOM 2021 CB ARG B 53 4.132 26.203 -4.020 1.00 0.00 C ATOM 2022 CG ARG B 53 4.524 27.628 -3.657 1.00 0.00 C ATOM 2023 CD ARG B 53 3.320 28.560 -3.599 1.00 0.00 C ATOM 2024 NE ARG B 53 2.136 27.936 -3.003 1.00 0.00 N ATOM 2025 CZ ARG B 53 1.136 28.628 -2.453 1.00 0.00 C ATOM 2026 NH1 ARG B 53 1.227 29.941 -2.322 1.00 0.00 N ATOM 2027 NH2 ARG B 53 0.043 28.011 -2.028 1.00 0.00 N ATOM 0 H ARG B 53 4.281 23.749 -3.698 1.00 0.00 H new ATOM 0 HA ARG B 53 5.333 25.539 -5.662 1.00 0.00 H new ATOM 0 HB2 ARG B 53 3.324 26.236 -4.751 1.00 0.00 H new ATOM 0 HB3 ARG B 53 3.738 25.709 -3.132 1.00 0.00 H new ATOM 0 HG2 ARG B 53 5.029 27.629 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG B 53 5.238 28.004 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG B 53 3.583 29.448 -3.024 1.00 0.00 H new ATOM 0 HD3 ARG B 53 3.078 28.894 -4.608 1.00 0.00 H new ATOM 0 HE ARG B 53 2.073 26.918 -3.009 1.00 0.00 H new ATOM 0 HH11 ARG B 53 2.064 30.429 -2.642 1.00 0.00 H new ATOM 0 HH12 ARG B 53 0.460 30.466 -1.901 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -0.039 26.998 -2.120 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -0.716 28.549 -1.609 1.00 0.00 H new ATOM 2041 N GLU B 54 6.929 25.260 -2.803 1.00 0.00 N ATOM 2042 CA GLU B 54 8.166 25.635 -2.128 1.00 0.00 C ATOM 2043 C GLU B 54 9.322 24.665 -2.416 1.00 0.00 C ATOM 2044 O GLU B 54 10.452 25.098 -2.631 1.00 0.00 O ATOM 2045 CB GLU B 54 7.921 25.783 -0.628 1.00 0.00 C ATOM 2046 CG GLU B 54 6.878 26.844 -0.313 1.00 0.00 C ATOM 2047 CD GLU B 54 6.704 27.100 1.166 1.00 0.00 C ATOM 2048 OE1 GLU B 54 5.968 26.341 1.823 1.00 0.00 O ATOM 2049 OE2 GLU B 54 7.281 28.086 1.676 1.00 0.00 O ATOM 0 H GLU B 54 6.347 24.596 -2.292 1.00 0.00 H new ATOM 0 HA GLU B 54 8.478 26.598 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU B 54 7.597 24.826 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU B 54 8.858 26.040 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU B 54 7.160 27.776 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU B 54 5.921 26.538 -0.735 1.00 0.00 H new ATOM 2056 N GLN B 55 9.042 23.364 -2.434 1.00 0.00 N ATOM 2057 CA GLN B 55 10.090 22.362 -2.642 1.00 0.00 C ATOM 2058 C GLN B 55 10.094 21.850 -4.080 1.00 0.00 C ATOM 2059 O GLN B 55 11.137 21.832 -4.730 1.00 0.00 O ATOM 2060 CB GLN B 55 9.908 21.183 -1.686 1.00 0.00 C ATOM 2061 CG GLN B 55 11.058 20.180 -1.728 1.00 0.00 C ATOM 2062 CD GLN B 55 12.277 20.624 -0.933 1.00 0.00 C ATOM 2063 OE1 GLN B 55 12.488 21.929 -0.826 1.00 0.00 O flip ATOM 2064 NE2 GLN B 55 13.022 19.800 -0.411 1.00 0.00 N flip ATOM 0 H GLN B 55 8.106 22.979 -2.308 1.00 0.00 H new ATOM 0 HA GLN B 55 11.045 22.847 -2.441 1.00 0.00 H new ATOM 0 HB2 GLN B 55 9.805 21.563 -0.669 1.00 0.00 H new ATOM 0 HB3 GLN B 55 8.979 20.668 -1.930 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.710 19.223 -1.340 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.350 20.017 -2.765 1.00 0.00 H new ATOM 0 HE21 GLN B 55 12.831 18.803 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN B 55 13.832 20.112 0.125 1.00 0.00 H new ATOM 2073 N LEU B 56 8.923 21.403 -4.539 1.00 0.00 N ATOM 2074 CA LEU B 56 8.728 20.943 -5.922 1.00 0.00 C ATOM 2075 C LEU B 56 9.314 19.543 -6.136 1.00 0.00 C ATOM 2076 O LEU B 56 9.864 19.247 -7.190 1.00 0.00 O ATOM 2077 CB LEU B 56 9.322 21.946 -6.926 1.00 0.00 C ATOM 2078 CG LEU B 56 8.965 21.708 -8.400 1.00 0.00 C ATOM 2079 CD1 LEU B 56 7.473 21.882 -8.629 1.00 0.00 C ATOM 2080 CD2 LEU B 56 9.756 22.648 -9.295 1.00 0.00 C ATOM 0 H LEU B 56 8.081 21.348 -3.965 1.00 0.00 H new ATOM 0 HA LEU B 56 7.654 20.882 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.992 22.947 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU B 56 10.407 21.930 -6.828 1.00 0.00 H new ATOM 0 HG LEU B 56 9.230 20.682 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU B 56 7.244 21.709 -9.680 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.925 21.167 -8.015 1.00 0.00 H new ATOM 0 HD13 LEU B 56 7.179 22.895 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU B 56 9.492 22.467 -10.337 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.522 23.680 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.823 22.472 -9.155 1.00 0.00 H new ATOM 2092 N GLY B 57 9.187 18.682 -5.130 1.00 0.00 N ATOM 2093 CA GLY B 57 9.516 17.273 -5.292 1.00 0.00 C ATOM 2094 C GLY B 57 11.004 16.961 -5.308 1.00 0.00 C ATOM 2095 O GLY B 57 11.392 15.793 -5.227 1.00 0.00 O ATOM 0 H GLY B 57 8.860 18.936 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY B 57 9.050 16.711 -4.483 1.00 0.00 H new ATOM 0 HA3 GLY B 57 9.075 16.916 -6.223 1.00 0.00 H new ATOM 2099 N PHE B 58 11.837 17.981 -5.409 1.00 0.00 N ATOM 2100 CA PHE B 58 13.270 17.769 -5.531 1.00 0.00 C ATOM 2101 C PHE B 58 13.992 17.993 -4.217 1.00 0.00 C ATOM 2102 O PHE B 58 13.942 19.083 -3.648 1.00 0.00 O ATOM 2103 CB PHE B 58 13.874 18.708 -6.573 1.00 0.00 C ATOM 2104 CG PHE B 58 13.358 18.504 -7.961 1.00 0.00 C ATOM 2105 CD1 PHE B 58 13.680 17.362 -8.672 1.00 0.00 C ATOM 2106 CD2 PHE B 58 12.560 19.463 -8.559 1.00 0.00 C ATOM 2107 CE1 PHE B 58 13.212 17.178 -9.956 1.00 0.00 C ATOM 2108 CE2 PHE B 58 12.091 19.286 -9.846 1.00 0.00 C ATOM 2109 CZ PHE B 58 12.419 18.139 -10.544 1.00 0.00 C ATOM 0 H PHE B 58 11.549 18.960 -5.409 1.00 0.00 H new ATOM 0 HA PHE B 58 13.400 16.731 -5.838 1.00 0.00 H new ATOM 0 HB2 PHE B 58 13.678 19.738 -6.273 1.00 0.00 H new ATOM 0 HB3 PHE B 58 14.956 18.578 -6.578 1.00 0.00 H new ATOM 0 HD1 PHE B 58 14.304 16.607 -8.217 1.00 0.00 H new ATOM 0 HD2 PHE B 58 12.301 20.359 -8.014 1.00 0.00 H new ATOM 0 HE1 PHE B 58 13.467 16.281 -10.501 1.00 0.00 H new ATOM 0 HE2 PHE B 58 11.470 20.041 -10.305 1.00 0.00 H new ATOM 0 HZ PHE B 58 12.054 17.996 -11.550 1.00 0.00 H new ATOM 2119 N GLU B 59 14.676 16.968 -3.738 1.00 0.00 N ATOM 2120 CA GLU B 59 15.623 17.165 -2.660 1.00 0.00 C ATOM 2121 C GLU B 59 16.988 17.420 -3.276 1.00 0.00 C ATOM 2122 O GLU B 59 17.650 16.493 -3.758 1.00 0.00 O ATOM 2123 CB GLU B 59 15.677 15.966 -1.700 1.00 0.00 C ATOM 2124 CG GLU B 59 16.632 16.193 -0.535 1.00 0.00 C ATOM 2125 CD GLU B 59 16.656 15.064 0.484 1.00 0.00 C ATOM 2126 OE1 GLU B 59 17.355 14.052 0.251 1.00 0.00 O ATOM 2127 OE2 GLU B 59 16.026 15.212 1.552 1.00 0.00 O ATOM 0 H GLU B 59 14.595 16.008 -4.073 1.00 0.00 H new ATOM 0 HA GLU B 59 15.304 18.018 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU B 59 14.677 15.770 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU B 59 15.986 15.078 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU B 59 17.639 16.333 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU B 59 16.356 17.118 -0.029 1.00 0.00 H new ATOM 2134 N PHE B 60 17.388 18.683 -3.300 1.00 0.00 N ATOM 2135 CA PHE B 60 18.668 19.066 -3.873 1.00 0.00 C ATOM 2136 C PHE B 60 19.787 18.717 -2.912 1.00 0.00 C ATOM 2137 O PHE B 60 19.931 19.335 -1.856 1.00 0.00 O ATOM 2138 CB PHE B 60 18.697 20.562 -4.197 1.00 0.00 C ATOM 2139 CG PHE B 60 17.748 20.965 -5.291 1.00 0.00 C ATOM 2140 CD1 PHE B 60 18.106 20.820 -6.623 1.00 0.00 C ATOM 2141 CD2 PHE B 60 16.501 21.488 -4.990 1.00 0.00 C ATOM 2142 CE1 PHE B 60 17.237 21.186 -7.632 1.00 0.00 C ATOM 2143 CE2 PHE B 60 15.626 21.856 -5.995 1.00 0.00 C ATOM 2144 CZ PHE B 60 15.996 21.707 -7.319 1.00 0.00 C ATOM 0 H PHE B 60 16.843 19.461 -2.928 1.00 0.00 H new ATOM 0 HA PHE B 60 18.808 18.515 -4.803 1.00 0.00 H new ATOM 0 HB2 PHE B 60 18.456 21.124 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.710 20.842 -4.486 1.00 0.00 H new ATOM 0 HD1 PHE B 60 19.076 20.416 -6.874 1.00 0.00 H new ATOM 0 HD2 PHE B 60 16.209 21.610 -3.957 1.00 0.00 H new ATOM 0 HE1 PHE B 60 17.527 21.065 -8.665 1.00 0.00 H new ATOM 0 HE2 PHE B 60 14.655 22.259 -5.747 1.00 0.00 H new ATOM 0 HZ PHE B 60 15.317 21.997 -8.107 1.00 0.00 H new ATOM 2154 N LYS B 61 20.566 17.716 -3.267 1.00 0.00 N ATOM 2155 CA LYS B 61 21.603 17.225 -2.383 1.00 0.00 C ATOM 2156 C LYS B 61 22.980 17.432 -2.986 1.00 0.00 C ATOM 2157 O LYS B 61 23.571 16.513 -3.553 1.00 0.00 O ATOM 2158 CB LYS B 61 21.375 15.748 -2.079 1.00 0.00 C ATOM 2159 CG LYS B 61 20.036 15.468 -1.424 1.00 0.00 C ATOM 2160 CD LYS B 61 20.006 15.942 0.020 1.00 0.00 C ATOM 2161 CE LYS B 61 20.658 14.937 0.952 1.00 0.00 C ATOM 2162 NZ LYS B 61 20.008 13.602 0.856 1.00 0.00 N ATOM 0 H LYS B 61 20.501 17.227 -4.160 1.00 0.00 H new ATOM 0 HA LYS B 61 21.555 17.792 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS B 61 21.444 15.179 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.172 15.392 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS B 61 19.245 15.964 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS B 61 19.830 14.398 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS B 61 20.520 16.900 0.100 1.00 0.00 H new ATOM 0 HD3 LYS B 61 18.974 16.108 0.328 1.00 0.00 H new ATOM 0 HE2 LYS B 61 21.716 14.846 0.707 1.00 0.00 H new ATOM 0 HE3 LYS B 61 20.598 15.299 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 20.052 13.127 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 19.014 13.719 0.574 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 20.503 13.025 0.147 1.00 0.00 H new ATOM 2176 N ASN B 62 23.469 18.654 -2.896 1.00 0.00 N ATOM 2177 CA ASN B 62 24.829 18.950 -3.305 1.00 0.00 C ATOM 2178 C ASN B 62 25.798 18.298 -2.333 1.00 0.00 C ATOM 2179 O ASN B 62 25.392 17.862 -1.251 1.00 0.00 O ATOM 2180 CB ASN B 62 25.067 20.462 -3.363 1.00 0.00 C ATOM 2181 CG ASN B 62 24.444 21.108 -4.586 1.00 0.00 C ATOM 2182 OD1 ASN B 62 23.291 21.539 -4.565 1.00 0.00 O ATOM 2183 ND2 ASN B 62 25.206 21.170 -5.666 1.00 0.00 N ATOM 0 H ASN B 62 22.946 19.456 -2.544 1.00 0.00 H new ATOM 0 HA ASN B 62 24.992 18.549 -4.305 1.00 0.00 H new ATOM 0 HB2 ASN B 62 24.657 20.924 -2.465 1.00 0.00 H new ATOM 0 HB3 ASN B 62 26.139 20.657 -3.361 1.00 0.00 H new ATOM 0 HD21 ASN B 62 24.843 21.587 -6.523 1.00 0.00 H new ATOM 0 HD22 ASN B 62 26.157 20.801 -5.641 1.00 0.00 H new ATOM 2190 N ALA B 63 27.064 18.222 -2.718 1.00 0.00 N ATOM 2191 CA ALA B 63 28.084 17.604 -1.877 1.00 0.00 C ATOM 2192 C ALA B 63 28.086 18.220 -0.481 1.00 0.00 C ATOM 2193 O ALA B 63 28.020 17.501 0.521 1.00 0.00 O ATOM 2194 CB ALA B 63 29.453 17.736 -2.526 1.00 0.00 C ATOM 0 H ALA B 63 27.411 18.580 -3.608 1.00 0.00 H new ATOM 0 HA ALA B 63 27.849 16.545 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA B 63 30.204 17.271 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA B 63 29.445 17.241 -3.497 1.00 0.00 H new ATOM 0 HB3 ALA B 63 29.693 18.791 -2.659 1.00 0.00 H new ATOM 2200 N GLN B 64 28.162 19.554 -0.430 1.00 0.00 N ATOM 2201 CA GLN B 64 28.113 20.305 0.826 1.00 0.00 C ATOM 2202 C GLN B 64 29.320 19.951 1.696 1.00 0.00 C ATOM 2203 O GLN B 64 29.346 20.197 2.901 1.00 0.00 O ATOM 2204 CB GLN B 64 26.796 20.023 1.567 1.00 0.00 C ATOM 2205 CG GLN B 64 26.478 21.025 2.668 1.00 0.00 C ATOM 2206 CD GLN B 64 26.273 22.430 2.137 1.00 0.00 C ATOM 2207 OE1 GLN B 64 27.220 23.214 2.031 1.00 0.00 O ATOM 2208 NE2 GLN B 64 25.036 22.758 1.795 1.00 0.00 N ATOM 0 H GLN B 64 28.259 20.142 -1.258 1.00 0.00 H new ATOM 0 HA GLN B 64 28.152 21.371 0.604 1.00 0.00 H new ATOM 0 HB2 GLN B 64 25.979 20.020 0.846 1.00 0.00 H new ATOM 0 HB3 GLN B 64 26.842 19.024 2.001 1.00 0.00 H new ATOM 0 HG2 GLN B 64 25.580 20.706 3.196 1.00 0.00 H new ATOM 0 HG3 GLN B 64 27.290 21.030 3.395 1.00 0.00 H new ATOM 0 HE21 GLN B 64 24.281 22.080 1.899 1.00 0.00 H new ATOM 0 HE22 GLN B 64 24.838 23.689 1.428 1.00 0.00 H new ATOM 2217 N LEU B 65 30.336 19.403 1.050 1.00 0.00 N ATOM 2218 CA LEU B 65 31.532 18.944 1.730 1.00 0.00 C ATOM 2219 C LEU B 65 32.736 19.674 1.149 1.00 0.00 C ATOM 2220 O LEU B 65 33.857 19.162 1.137 1.00 0.00 O ATOM 2221 CB LEU B 65 31.673 17.427 1.554 1.00 0.00 C ATOM 2222 CG LEU B 65 32.731 16.752 2.431 1.00 0.00 C ATOM 2223 CD1 LEU B 65 32.398 16.922 3.906 1.00 0.00 C ATOM 2224 CD2 LEU B 65 32.847 15.279 2.077 1.00 0.00 C ATOM 0 H LEU B 65 30.353 19.265 0.040 1.00 0.00 H new ATOM 0 HA LEU B 65 31.468 19.158 2.797 1.00 0.00 H new ATOM 0 HB2 LEU B 65 30.708 16.965 1.760 1.00 0.00 H new ATOM 0 HB3 LEU B 65 31.908 17.221 0.510 1.00 0.00 H new ATOM 0 HG LEU B 65 33.691 17.232 2.243 1.00 0.00 H new ATOM 0 HD11 LEU B 65 33.163 16.435 4.510 1.00 0.00 H new ATOM 0 HD12 LEU B 65 32.364 17.983 4.151 1.00 0.00 H new ATOM 0 HD13 LEU B 65 31.428 16.470 4.115 1.00 0.00 H new ATOM 0 HD21 LEU B 65 33.603 14.812 2.708 1.00 0.00 H new ATOM 0 HD22 LEU B 65 31.887 14.789 2.238 1.00 0.00 H new ATOM 0 HD23 LEU B 65 33.135 15.178 1.031 1.00 0.00 H new ATOM 2236 N GLU B 66 32.485 20.889 0.678 1.00 0.00 N ATOM 2237 CA GLU B 66 33.506 21.698 0.029 1.00 0.00 C ATOM 2238 C GLU B 66 34.530 22.209 1.031 1.00 0.00 C ATOM 2239 O GLU B 66 34.509 23.377 1.423 1.00 0.00 O ATOM 2240 CB GLU B 66 32.882 22.881 -0.723 1.00 0.00 C ATOM 2241 CG GLU B 66 32.045 22.487 -1.931 1.00 0.00 C ATOM 2242 CD GLU B 66 30.756 21.783 -1.560 1.00 0.00 C ATOM 2243 OE1 GLU B 66 29.779 22.477 -1.204 1.00 0.00 O ATOM 2244 OE2 GLU B 66 30.717 20.537 -1.617 1.00 0.00 O ATOM 0 H GLU B 66 31.571 21.339 0.735 1.00 0.00 H new ATOM 0 HA GLU B 66 34.014 21.054 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU B 66 32.257 23.446 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU B 66 33.679 23.549 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU B 66 31.810 23.381 -2.509 1.00 0.00 H new ATOM 0 HG3 GLU B 66 32.634 21.836 -2.576 1.00 0.00 H new ATOM 2251 N HIS B 67 35.398 21.315 1.466 1.00 0.00 N ATOM 2252 CA HIS B 67 36.526 21.681 2.298 1.00 0.00 C ATOM 2253 C HIS B 67 37.713 21.966 1.402 1.00 0.00 C ATOM 2254 O HIS B 67 38.407 21.047 0.967 1.00 0.00 O ATOM 2255 CB HIS B 67 36.865 20.565 3.293 1.00 0.00 C ATOM 2256 CG HIS B 67 35.884 20.429 4.418 1.00 0.00 C ATOM 2257 ND1 HIS B 67 36.258 20.454 5.743 1.00 0.00 N ATOM 2258 CD2 HIS B 67 34.541 20.255 4.414 1.00 0.00 C ATOM 2259 CE1 HIS B 67 35.191 20.303 6.502 1.00 0.00 C ATOM 2260 NE2 HIS B 67 34.135 20.182 5.723 1.00 0.00 N ATOM 0 H HIS B 67 35.341 20.319 1.253 1.00 0.00 H new ATOM 0 HA HIS B 67 36.272 22.569 2.877 1.00 0.00 H new ATOM 0 HB2 HIS B 67 36.919 19.618 2.756 1.00 0.00 H new ATOM 0 HB3 HIS B 67 37.855 20.752 3.709 1.00 0.00 H new ATOM 0 HD2 HIS B 67 33.907 20.186 3.542 1.00 0.00 H new ATOM 0 HE1 HIS B 67 35.183 20.282 7.582 1.00 0.00 H new ATOM 0 HE2 HIS B 67 33.174 20.055 6.041 1.00 0.00 H new ATOM 2269 N HIS B 68 37.915 23.237 1.094 1.00 0.00 N ATOM 2270 CA HIS B 68 38.953 23.634 0.157 1.00 0.00 C ATOM 2271 C HIS B 68 40.326 23.366 0.752 1.00 0.00 C ATOM 2272 O HIS B 68 40.554 23.624 1.935 1.00 0.00 O ATOM 2273 CB HIS B 68 38.811 25.112 -0.212 1.00 0.00 C ATOM 2274 CG HIS B 68 39.670 25.524 -1.368 1.00 0.00 C ATOM 2275 ND1 HIS B 68 40.691 26.447 -1.268 1.00 0.00 N ATOM 2276 CD2 HIS B 68 39.652 25.126 -2.662 1.00 0.00 C ATOM 2277 CE1 HIS B 68 41.260 26.596 -2.449 1.00 0.00 C ATOM 2278 NE2 HIS B 68 40.647 25.810 -3.308 1.00 0.00 N ATOM 0 H HIS B 68 37.374 24.011 1.479 1.00 0.00 H new ATOM 0 HA HIS B 68 38.843 23.043 -0.752 1.00 0.00 H new ATOM 0 HB2 HIS B 68 37.768 25.320 -0.452 1.00 0.00 H new ATOM 0 HB3 HIS B 68 39.066 25.721 0.655 1.00 0.00 H new ATOM 0 HD2 HIS B 68 38.979 24.405 -3.102 1.00 0.00 H new ATOM 0 HE1 HIS B 68 42.088 27.252 -2.673 1.00 0.00 H new ATOM 0 HE2 HIS B 68 40.877 25.724 -4.298 1.00 0.00 H new ATOM 2287 N HIS B 69 41.227 22.837 -0.068 1.00 0.00 N ATOM 2288 CA HIS B 69 42.569 22.512 0.386 1.00 0.00 C ATOM 2289 C HIS B 69 43.304 23.764 0.840 1.00 0.00 C ATOM 2290 O HIS B 69 43.672 24.617 0.029 1.00 0.00 O ATOM 2291 CB HIS B 69 43.365 21.811 -0.718 1.00 0.00 C ATOM 2292 CG HIS B 69 44.737 21.393 -0.280 1.00 0.00 C ATOM 2293 ND1 HIS B 69 45.889 21.756 -0.942 1.00 0.00 N ATOM 2294 CD2 HIS B 69 45.132 20.636 0.768 1.00 0.00 C ATOM 2295 CE1 HIS B 69 46.930 21.240 -0.318 1.00 0.00 C ATOM 2296 NE2 HIS B 69 46.499 20.558 0.723 1.00 0.00 N ATOM 0 H HIS B 69 41.050 22.625 -1.050 1.00 0.00 H new ATOM 0 HA HIS B 69 42.477 21.833 1.234 1.00 0.00 H new ATOM 0 HB2 HIS B 69 42.814 20.932 -1.053 1.00 0.00 H new ATOM 0 HB3 HIS B 69 43.452 22.479 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS B 69 44.489 20.177 1.505 1.00 0.00 H new ATOM 0 HE1 HIS B 69 47.963 21.357 -0.611 1.00 0.00 H new ATOM 0 HE2 HIS B 69 47.087 20.054 1.387 1.00 0.00 H new ATOM 2305 N HIS B 70 43.504 23.865 2.140 1.00 0.00 N ATOM 2306 CA HIS B 70 44.236 24.971 2.725 1.00 0.00 C ATOM 2307 C HIS B 70 44.894 24.495 4.010 1.00 0.00 C ATOM 2308 O HIS B 70 44.213 24.056 4.936 1.00 0.00 O ATOM 2309 CB HIS B 70 43.301 26.152 3.005 1.00 0.00 C ATOM 2310 CG HIS B 70 43.990 27.483 2.948 1.00 0.00 C ATOM 2311 ND1 HIS B 70 44.070 28.346 4.018 1.00 0.00 N ATOM 2312 CD2 HIS B 70 44.618 28.103 1.923 1.00 0.00 C ATOM 2313 CE1 HIS B 70 44.713 29.437 3.650 1.00 0.00 C ATOM 2314 NE2 HIS B 70 45.061 29.317 2.385 1.00 0.00 N ATOM 0 H HIS B 70 43.164 23.184 2.819 1.00 0.00 H new ATOM 0 HA HIS B 70 45.000 25.313 2.026 1.00 0.00 H new ATOM 0 HB2 HIS B 70 42.487 26.141 2.280 1.00 0.00 H new ATOM 0 HB3 HIS B 70 42.852 26.025 3.990 1.00 0.00 H new ATOM 0 HD1 HIS B 70 43.692 28.169 4.949 1.00 0.00 H new ATOM 0 HD2 HIS B 70 44.747 27.714 0.924 1.00 0.00 H new ATOM 0 HE1 HIS B 70 44.920 30.288 4.281 1.00 0.00 H new ATOM 2323 N HIS B 71 46.213 24.559 4.051 1.00 0.00 N ATOM 2324 CA HIS B 71 46.966 24.013 5.172 1.00 0.00 C ATOM 2325 C HIS B 71 46.793 24.891 6.406 1.00 0.00 C ATOM 2326 O HIS B 71 46.674 24.392 7.526 1.00 0.00 O ATOM 2327 CB HIS B 71 48.445 23.885 4.803 1.00 0.00 C ATOM 2328 CG HIS B 71 49.149 22.777 5.521 1.00 0.00 C ATOM 2329 ND1 HIS B 71 50.504 22.778 5.762 1.00 0.00 N ATOM 2330 CD2 HIS B 71 48.683 21.609 6.024 1.00 0.00 C ATOM 2331 CE1 HIS B 71 50.841 21.661 6.378 1.00 0.00 C ATOM 2332 NE2 HIS B 71 49.754 20.934 6.552 1.00 0.00 N ATOM 0 H HIS B 71 46.787 24.983 3.322 1.00 0.00 H new ATOM 0 HA HIS B 71 46.581 23.020 5.403 1.00 0.00 H new ATOM 0 HB2 HIS B 71 48.530 23.722 3.729 1.00 0.00 H new ATOM 0 HB3 HIS B 71 48.948 24.826 5.023 1.00 0.00 H new ATOM 0 HD2 HIS B 71 47.657 21.271 6.012 1.00 0.00 H new ATOM 0 HE1 HIS B 71 51.839 21.388 6.688 1.00 0.00 H new ATOM 0 HE2 HIS B 71 49.716 20.021 7.005 1.00 0.00 H new ATOM 2341 N HIS B 72 46.770 26.196 6.190 1.00 0.00 N ATOM 2342 CA HIS B 72 46.531 27.148 7.262 1.00 0.00 C ATOM 2343 C HIS B 72 45.649 28.279 6.753 1.00 0.00 C ATOM 2344 O HIS B 72 44.416 28.110 6.735 1.00 0.00 O ATOM 2345 CB HIS B 72 47.858 27.703 7.797 1.00 0.00 C ATOM 2346 CG HIS B 72 47.700 28.650 8.950 1.00 0.00 C ATOM 2347 ND1 HIS B 72 47.703 30.020 8.802 1.00 0.00 N ATOM 2348 CD2 HIS B 72 47.545 28.419 10.274 1.00 0.00 C ATOM 2349 CE1 HIS B 72 47.559 30.589 9.983 1.00 0.00 C ATOM 2350 NE2 HIS B 72 47.459 29.641 10.894 1.00 0.00 N ATOM 2351 OXT HIS B 72 46.194 29.324 6.349 1.00 0.00 O ATOM 0 H HIS B 72 46.915 26.622 5.275 1.00 0.00 H new ATOM 0 HA HIS B 72 46.022 26.639 8.081 1.00 0.00 H new ATOM 0 HB2 HIS B 72 48.490 26.871 8.107 1.00 0.00 H new ATOM 0 HB3 HIS B 72 48.379 28.215 6.988 1.00 0.00 H new ATOM 0 HD2 HIS B 72 47.498 27.453 10.754 1.00 0.00 H new ATOM 0 HE1 HIS B 72 47.528 31.652 10.172 1.00 0.00 H new ATOM 0 HE2 HIS B 72 47.338 29.791 11.896 1.00 0.00 H new TER 2360 HIS B 72