USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 ASN : amide:sc= -0.108 K(o=1.4,f=-3.5!) USER MOD Set 1.2: A 11 LYS NZ :NH3+ 148:sc= 1.54 (180deg=1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.918 K(o=-0.92,f=-5.5!) USER MOD Single : A 4 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 10 MET CE :methyl -163:sc= -0.121 (180deg=-0.617) USER MOD Single : A 12 ASN :FLIP amide:sc= 0.22 F(o=-1.7!,f=0.22) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.0462 (180deg=-0.313) USER MOD Single : A 18 SER OG : rot 78:sc= 1.29 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 0.733 (180deg=-0.844!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0484 USER MOD Single : A 33 ASN : amide:sc= 1.24 K(o=1.2,f=-0.16) USER MOD Single : A 38 CYS SG : rot -72:sc= 1.31 USER MOD Single : A 39 HIS : no HE2:sc= 1.07 K(o=1.1,f=-5.3!) USER MOD Single : A 40 THR OG1 : rot 72:sc= 0.369 USER MOD Single : A 41 GLN : amide:sc= 1.8 K(o=1.8,f=-0.69) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 175:sc= -0.194 (180deg=-0.257) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0458) USER MOD Single : A 66 SER OG : rot 39:sc= 0.403 USER MOD Single : A 69 HIS : no HE2:sc= 0.385 K(o=0.38,f=-5.2!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 73 HIS : no HE2:sc= 0.252 K(o=0.25,f=-2.1) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.014 -5.112 -12.626 1.00 31.15 N ATOM 2 CA MET A 1 -12.071 -6.104 -12.319 1.00 23.12 C ATOM 3 C MET A 1 -13.419 -5.406 -12.158 1.00 54.12 C ATOM 4 O MET A 1 -14.363 -5.682 -12.900 1.00 3.32 O ATOM 5 CB MET A 1 -11.715 -6.868 -11.038 1.00 63.34 C ATOM 6 CG MET A 1 -12.598 -8.078 -10.778 1.00 14.34 C ATOM 7 SD MET A 1 -12.472 -9.315 -12.085 1.00 4.53 S ATOM 8 CE MET A 1 -13.515 -10.611 -11.421 1.00 50.43 C ATOM 0 H1 MET A 1 -10.101 -5.599 -12.733 1.00 31.15 H new ATOM 0 H2 MET A 1 -11.248 -4.617 -13.510 1.00 31.15 H new ATOM 0 H3 MET A 1 -10.949 -4.422 -11.850 1.00 31.15 H new ATOM 0 HA MET A 1 -12.141 -6.812 -13.145 1.00 23.12 H new ATOM 0 HB2 MET A 1 -10.677 -7.194 -11.098 1.00 63.34 H new ATOM 0 HB3 MET A 1 -11.787 -6.188 -10.189 1.00 63.34 H new ATOM 0 HG2 MET A 1 -12.319 -8.530 -9.826 1.00 14.34 H new ATOM 0 HG3 MET A 1 -13.635 -7.755 -10.686 1.00 14.34 H new ATOM 0 HE1 MET A 1 -13.540 -11.450 -12.116 1.00 50.43 H new ATOM 0 HE2 MET A 1 -13.115 -10.945 -10.464 1.00 50.43 H new ATOM 0 HE3 MET A 1 -14.525 -10.228 -11.278 1.00 50.43 H new ATOM 20 N ASN A 2 -13.503 -4.500 -11.191 1.00 73.33 N ATOM 21 CA ASN A 2 -14.703 -3.691 -11.002 1.00 12.00 C ATOM 22 C ASN A 2 -14.352 -2.214 -11.112 1.00 23.20 C ATOM 23 O ASN A 2 -13.234 -1.813 -10.785 1.00 5.54 O ATOM 24 CB ASN A 2 -15.366 -3.969 -9.647 1.00 32.55 C ATOM 25 CG ASN A 2 -14.442 -3.712 -8.474 1.00 34.14 C ATOM 26 OD1 ASN A 2 -14.279 -2.574 -8.030 1.00 22.43 O ATOM 27 ND2 ASN A 2 -13.853 -4.773 -7.943 1.00 2.33 N ATOM 0 H ASN A 2 -12.755 -4.306 -10.525 1.00 73.33 H new ATOM 0 HA ASN A 2 -15.414 -3.960 -11.783 1.00 12.00 H new ATOM 0 HB2 ASN A 2 -16.253 -3.344 -9.548 1.00 32.55 H new ATOM 0 HB3 ASN A 2 -15.701 -5.006 -9.618 1.00 32.55 H new ATOM 0 HD21 ASN A 2 -13.238 -4.665 -7.136 1.00 2.33 H new ATOM 0 HD22 ASN A 2 -14.014 -5.698 -8.341 1.00 2.33 H new ATOM 34 N GLN A 3 -15.304 -1.413 -11.572 1.00 24.15 N ATOM 35 CA GLN A 3 -15.072 0.010 -11.781 1.00 55.32 C ATOM 36 C GLN A 3 -16.159 0.833 -11.107 1.00 73.11 C ATOM 37 O GLN A 3 -17.282 0.357 -10.932 1.00 24.15 O ATOM 38 CB GLN A 3 -15.055 0.336 -13.278 1.00 23.03 C ATOM 39 CG GLN A 3 -14.001 -0.418 -14.075 1.00 42.34 C ATOM 40 CD GLN A 3 -12.579 0.009 -13.753 1.00 3.10 C ATOM 41 OE1 GLN A 3 -12.265 0.404 -12.630 1.00 72.32 O ATOM 42 NE2 GLN A 3 -11.712 -0.047 -14.752 1.00 72.20 N ATOM 0 H GLN A 3 -16.246 -1.725 -11.808 1.00 24.15 H new ATOM 0 HA GLN A 3 -14.105 0.260 -11.344 1.00 55.32 H new ATOM 0 HB2 GLN A 3 -16.037 0.114 -13.697 1.00 23.03 H new ATOM 0 HB3 GLN A 3 -14.890 1.406 -13.402 1.00 23.03 H new ATOM 0 HG2 GLN A 3 -14.104 -1.486 -13.881 1.00 42.34 H new ATOM 0 HG3 GLN A 3 -14.185 -0.268 -15.139 1.00 42.34 H new ATOM 0 HE21 GLN A 3 -12.011 -0.380 -15.669 1.00 72.20 H new ATOM 0 HE22 GLN A 3 -10.745 0.243 -14.605 1.00 72.20 H new ATOM 51 N ASN A 4 -15.805 2.057 -10.711 1.00 72.14 N ATOM 52 CA ASN A 4 -16.773 3.035 -10.188 1.00 33.34 C ATOM 53 C ASN A 4 -17.303 2.594 -8.840 1.00 4.12 C ATOM 54 O ASN A 4 -18.343 3.058 -8.370 1.00 14.42 O ATOM 55 CB ASN A 4 -17.919 3.246 -11.185 1.00 50.14 C ATOM 56 CG ASN A 4 -17.403 3.655 -12.546 1.00 25.31 C ATOM 57 OD1 ASN A 4 -16.262 4.322 -12.555 1.00 4.43 O flip ATOM 58 ND2 ASN A 4 -18.015 3.368 -13.577 1.00 2.31 N flip ATOM 0 H ASN A 4 -14.845 2.401 -10.742 1.00 72.14 H new ATOM 0 HA ASN A 4 -16.261 3.988 -10.054 1.00 33.34 H new ATOM 0 HB2 ASN A 4 -18.497 2.327 -11.276 1.00 50.14 H new ATOM 0 HB3 ASN A 4 -18.595 4.012 -10.806 1.00 50.14 H new ATOM 0 HD21 ASN A 4 -18.893 2.852 -13.522 1.00 2.31 H new ATOM 0 HD22 ASN A 4 -17.643 3.647 -14.485 1.00 2.31 H new ATOM 65 N LEU A 5 -16.555 1.708 -8.221 1.00 64.24 N ATOM 66 CA LEU A 5 -16.894 1.200 -6.905 1.00 72.35 C ATOM 67 C LEU A 5 -16.205 2.041 -5.842 1.00 31.33 C ATOM 68 O LEU A 5 -15.007 2.310 -5.935 1.00 74.13 O ATOM 69 CB LEU A 5 -16.487 -0.272 -6.777 1.00 12.13 C ATOM 70 CG LEU A 5 -16.875 -0.949 -5.458 1.00 4.13 C ATOM 71 CD1 LEU A 5 -18.381 -0.899 -5.250 1.00 75.11 C ATOM 72 CD2 LEU A 5 -16.380 -2.387 -5.439 1.00 42.21 C ATOM 0 H LEU A 5 -15.697 1.319 -8.612 1.00 64.24 H new ATOM 0 HA LEU A 5 -17.973 1.265 -6.764 1.00 72.35 H new ATOM 0 HB2 LEU A 5 -16.938 -0.829 -7.598 1.00 12.13 H new ATOM 0 HB3 LEU A 5 -15.406 -0.344 -6.899 1.00 12.13 H new ATOM 0 HG LEU A 5 -16.402 -0.407 -4.639 1.00 4.13 H new ATOM 0 HD11 LEU A 5 -18.635 -1.385 -4.308 1.00 75.11 H new ATOM 0 HD12 LEU A 5 -18.710 0.140 -5.222 1.00 75.11 H new ATOM 0 HD13 LEU A 5 -18.879 -1.416 -6.070 1.00 75.11 H new ATOM 0 HD21 LEU A 5 -16.662 -2.856 -4.497 1.00 42.21 H new ATOM 0 HD22 LEU A 5 -16.828 -2.937 -6.267 1.00 42.21 H new ATOM 0 HD23 LEU A 5 -15.295 -2.400 -5.540 1.00 42.21 H new ATOM 84 N GLN A 6 -16.972 2.470 -4.851 1.00 51.02 N ATOM 85 CA GLN A 6 -16.449 3.316 -3.790 1.00 21.04 C ATOM 86 C GLN A 6 -15.669 2.480 -2.786 1.00 52.14 C ATOM 87 O GLN A 6 -15.851 1.261 -2.704 1.00 72.32 O ATOM 88 CB GLN A 6 -17.591 4.055 -3.097 1.00 14.22 C ATOM 89 CG GLN A 6 -18.455 4.858 -4.056 1.00 71.34 C ATOM 90 CD GLN A 6 -19.648 5.503 -3.381 1.00 71.22 C ATOM 91 OE1 GLN A 6 -19.597 5.859 -2.203 1.00 41.31 O ATOM 92 NE2 GLN A 6 -20.737 5.639 -4.116 1.00 1.13 N ATOM 0 H GLN A 6 -17.963 2.245 -4.760 1.00 51.02 H new ATOM 0 HA GLN A 6 -15.773 4.051 -4.227 1.00 21.04 H new ATOM 0 HB2 GLN A 6 -18.217 3.333 -2.572 1.00 14.22 H new ATOM 0 HB3 GLN A 6 -17.177 4.725 -2.343 1.00 14.22 H new ATOM 0 HG2 GLN A 6 -17.846 5.632 -4.523 1.00 71.34 H new ATOM 0 HG3 GLN A 6 -18.806 4.204 -4.854 1.00 71.34 H new ATOM 0 HE21 GLN A 6 -20.738 5.331 -5.088 1.00 1.13 H new ATOM 0 HE22 GLN A 6 -21.577 6.052 -3.711 1.00 1.13 H new ATOM 101 N GLY A 7 -14.798 3.130 -2.027 1.00 32.04 N ATOM 102 CA GLY A 7 -13.954 2.412 -1.100 1.00 23.54 C ATOM 103 C GLY A 7 -12.879 1.647 -1.836 1.00 74.14 C ATOM 104 O GLY A 7 -12.516 0.537 -1.448 1.00 74.25 O ATOM 0 H GLY A 7 -14.662 4.141 -2.038 1.00 32.04 H new ATOM 0 HA2 GLY A 7 -13.495 3.112 -0.402 1.00 23.54 H new ATOM 0 HA3 GLY A 7 -14.558 1.723 -0.510 1.00 23.54 H new ATOM 108 N GLU A 8 -12.373 2.246 -2.911 1.00 31.14 N ATOM 109 CA GLU A 8 -11.369 1.603 -3.748 1.00 72.01 C ATOM 110 C GLU A 8 -10.099 1.324 -2.953 1.00 65.14 C ATOM 111 O GLU A 8 -9.389 0.355 -3.227 1.00 24.13 O ATOM 112 CB GLU A 8 -11.076 2.461 -4.981 1.00 14.11 C ATOM 113 CG GLU A 8 -10.081 1.825 -5.933 1.00 54.12 C ATOM 114 CD GLU A 8 -10.222 2.329 -7.352 1.00 44.03 C ATOM 115 OE1 GLU A 8 -11.023 1.739 -8.111 1.00 12.44 O ATOM 116 OE2 GLU A 8 -9.527 3.304 -7.715 1.00 22.33 O ATOM 0 H GLU A 8 -12.644 3.179 -3.222 1.00 31.14 H new ATOM 0 HA GLU A 8 -11.762 0.645 -4.088 1.00 72.01 H new ATOM 0 HB2 GLU A 8 -12.008 2.649 -5.514 1.00 14.11 H new ATOM 0 HB3 GLU A 8 -10.692 3.429 -4.658 1.00 14.11 H new ATOM 0 HG2 GLU A 8 -9.069 2.025 -5.580 1.00 54.12 H new ATOM 0 HG3 GLU A 8 -10.215 0.743 -5.922 1.00 54.12 H new ATOM 123 N TRP A 9 -9.833 2.164 -1.958 1.00 63.41 N ATOM 124 CA TRP A 9 -8.734 1.929 -1.029 1.00 74.41 C ATOM 125 C TRP A 9 -8.930 0.595 -0.322 1.00 61.34 C ATOM 126 O TRP A 9 -8.027 -0.232 -0.285 1.00 23.04 O ATOM 127 CB TRP A 9 -8.637 3.069 -0.006 1.00 53.05 C ATOM 128 CG TRP A 9 -7.707 2.790 1.141 1.00 61.24 C ATOM 129 CD1 TRP A 9 -7.990 2.938 2.467 1.00 31.13 C ATOM 130 CD2 TRP A 9 -6.358 2.298 1.072 1.00 70.40 C ATOM 131 NE1 TRP A 9 -6.904 2.581 3.227 1.00 51.33 N ATOM 132 CE2 TRP A 9 -5.890 2.182 2.395 1.00 20.34 C ATOM 133 CE3 TRP A 9 -5.502 1.943 0.025 1.00 14.23 C ATOM 134 CZ2 TRP A 9 -4.605 1.732 2.695 1.00 15.31 C ATOM 135 CZ3 TRP A 9 -4.230 1.496 0.323 1.00 32.21 C ATOM 136 CH2 TRP A 9 -3.792 1.392 1.648 1.00 12.35 C ATOM 0 H TRP A 9 -10.365 3.015 -1.774 1.00 63.41 H new ATOM 0 HA TRP A 9 -7.801 1.897 -1.591 1.00 74.41 H new ATOM 0 HB2 TRP A 9 -8.305 3.973 -0.517 1.00 53.05 H new ATOM 0 HB3 TRP A 9 -9.632 3.273 0.389 1.00 53.05 H new ATOM 0 HD1 TRP A 9 -8.933 3.286 2.862 1.00 31.13 H new ATOM 0 HE1 TRP A 9 -6.859 2.608 4.246 1.00 51.33 H new ATOM 0 HE3 TRP A 9 -5.831 2.017 -1.001 1.00 14.23 H new ATOM 0 HZ2 TRP A 9 -4.264 1.655 3.717 1.00 15.31 H new ATOM 0 HZ3 TRP A 9 -3.562 1.222 -0.480 1.00 32.21 H new ATOM 0 HH2 TRP A 9 -2.792 1.036 1.848 1.00 12.35 H new ATOM 147 N MET A 10 -10.127 0.385 0.208 1.00 62.32 N ATOM 148 CA MET A 10 -10.459 -0.860 0.895 1.00 4.14 C ATOM 149 C MET A 10 -10.348 -2.043 -0.061 1.00 51.10 C ATOM 150 O MET A 10 -9.902 -3.126 0.321 1.00 72.24 O ATOM 151 CB MET A 10 -11.876 -0.793 1.465 1.00 44.44 C ATOM 152 CG MET A 10 -12.297 -2.048 2.211 1.00 25.44 C ATOM 153 SD MET A 10 -13.997 -1.972 2.807 1.00 34.33 S ATOM 154 CE MET A 10 -13.921 -0.547 3.893 1.00 20.32 C ATOM 0 H MET A 10 -10.889 1.063 0.176 1.00 62.32 H new ATOM 0 HA MET A 10 -9.752 -0.996 1.713 1.00 4.14 H new ATOM 0 HB2 MET A 10 -11.946 0.060 2.140 1.00 44.44 H new ATOM 0 HB3 MET A 10 -12.577 -0.614 0.650 1.00 44.44 H new ATOM 0 HG2 MET A 10 -12.186 -2.910 1.553 1.00 25.44 H new ATOM 0 HG3 MET A 10 -11.627 -2.204 3.057 1.00 25.44 H new ATOM 0 HE1 MET A 10 -14.785 -0.549 4.557 1.00 20.32 H new ATOM 0 HE2 MET A 10 -13.008 -0.590 4.486 1.00 20.32 H new ATOM 0 HE3 MET A 10 -13.924 0.365 3.297 1.00 20.32 H new ATOM 164 N LYS A 11 -10.755 -1.811 -1.302 1.00 14.04 N ATOM 165 CA LYS A 11 -10.740 -2.838 -2.334 1.00 61.24 C ATOM 166 C LYS A 11 -9.342 -3.421 -2.524 1.00 44.34 C ATOM 167 O LYS A 11 -9.158 -4.638 -2.519 1.00 21.30 O ATOM 168 CB LYS A 11 -11.254 -2.258 -3.656 1.00 54.23 C ATOM 169 CG LYS A 11 -11.177 -3.224 -4.829 1.00 23.51 C ATOM 170 CD LYS A 11 -11.870 -2.660 -6.060 1.00 55.30 C ATOM 171 CE LYS A 11 -11.251 -1.347 -6.515 1.00 21.32 C ATOM 172 NZ LYS A 11 -12.029 -0.712 -7.619 1.00 71.12 N ATOM 0 H LYS A 11 -11.104 -0.907 -1.621 1.00 14.04 H new ATOM 0 HA LYS A 11 -11.397 -3.647 -2.013 1.00 61.24 H new ATOM 0 HB2 LYS A 11 -12.290 -1.944 -3.525 1.00 54.23 H new ATOM 0 HB3 LYS A 11 -10.678 -1.364 -3.897 1.00 54.23 H new ATOM 0 HG2 LYS A 11 -10.133 -3.434 -5.062 1.00 23.51 H new ATOM 0 HG3 LYS A 11 -11.638 -4.172 -4.552 1.00 23.51 H new ATOM 0 HD2 LYS A 11 -11.815 -3.386 -6.871 1.00 55.30 H new ATOM 0 HD3 LYS A 11 -12.927 -2.506 -5.842 1.00 55.30 H new ATOM 0 HE2 LYS A 11 -11.196 -0.661 -5.670 1.00 21.32 H new ATOM 0 HE3 LYS A 11 -10.229 -1.525 -6.848 1.00 21.32 H new ATOM 0 HZ1 LYS A 11 -11.955 0.323 -7.545 1.00 71.12 H new ATOM 0 HZ2 LYS A 11 -11.647 -1.022 -8.535 1.00 71.12 H new ATOM 0 HZ3 LYS A 11 -13.027 -0.994 -7.547 1.00 71.12 H new ATOM 186 N ASN A 12 -8.358 -2.554 -2.713 1.00 24.33 N ATOM 187 CA ASN A 12 -6.985 -3.008 -2.862 1.00 21.34 C ATOM 188 C ASN A 12 -6.380 -3.359 -1.505 1.00 50.11 C ATOM 189 O ASN A 12 -5.492 -4.203 -1.418 1.00 0.42 O ATOM 190 CB ASN A 12 -6.124 -1.962 -3.580 1.00 70.42 C ATOM 191 CG ASN A 12 -5.858 -0.716 -2.755 1.00 22.14 C ATOM 192 OD1 ASN A 12 -6.630 0.331 -2.989 1.00 43.20 O flip ATOM 193 ND2 ASN A 12 -4.941 -0.684 -1.940 1.00 23.01 N flip ATOM 0 H ASN A 12 -8.483 -1.543 -2.766 1.00 24.33 H new ATOM 0 HA ASN A 12 -7.001 -3.908 -3.477 1.00 21.34 H new ATOM 0 HB2 ASN A 12 -5.171 -2.415 -3.854 1.00 70.42 H new ATOM 0 HB3 ASN A 12 -6.618 -1.673 -4.508 1.00 70.42 H new ATOM 0 HD21 ASN A 12 -4.366 -1.512 -1.786 1.00 23.01 H new ATOM 0 HD22 ASN A 12 -4.754 0.171 -1.416 1.00 23.01 H new ATOM 200 N TYR A 13 -6.880 -2.721 -0.449 1.00 74.24 N ATOM 201 CA TYR A 13 -6.375 -2.945 0.905 1.00 10.20 C ATOM 202 C TYR A 13 -6.503 -4.405 1.309 1.00 63.24 C ATOM 203 O TYR A 13 -5.563 -4.983 1.833 1.00 14.14 O ATOM 204 CB TYR A 13 -7.107 -2.055 1.919 1.00 3.21 C ATOM 205 CG TYR A 13 -6.678 -2.273 3.357 1.00 70.02 C ATOM 206 CD1 TYR A 13 -5.418 -1.889 3.793 1.00 74.33 C ATOM 207 CD2 TYR A 13 -7.541 -2.860 4.277 1.00 55.32 C ATOM 208 CE1 TYR A 13 -5.026 -2.085 5.105 1.00 11.30 C ATOM 209 CE2 TYR A 13 -7.156 -3.059 5.590 1.00 14.11 C ATOM 210 CZ TYR A 13 -5.899 -2.668 6.000 1.00 65.45 C ATOM 211 OH TYR A 13 -5.513 -2.862 7.311 1.00 51.15 O ATOM 0 H TYR A 13 -7.638 -2.041 -0.505 1.00 74.24 H new ATOM 0 HA TYR A 13 -5.318 -2.680 0.904 1.00 10.20 H new ATOM 0 HB2 TYR A 13 -6.941 -1.010 1.656 1.00 3.21 H new ATOM 0 HB3 TYR A 13 -8.179 -2.237 1.839 1.00 3.21 H new ATOM 0 HD1 TYR A 13 -4.732 -1.430 3.097 1.00 74.33 H new ATOM 0 HD2 TYR A 13 -8.527 -3.165 3.960 1.00 55.32 H new ATOM 0 HE1 TYR A 13 -4.041 -1.783 5.427 1.00 11.30 H new ATOM 0 HE2 TYR A 13 -7.837 -3.519 6.291 1.00 14.11 H new ATOM 0 HH TYR A 13 -6.245 -3.283 7.809 1.00 51.15 H new ATOM 221 N GLU A 14 -7.658 -5.007 1.056 1.00 22.22 N ATOM 222 CA GLU A 14 -7.867 -6.405 1.425 1.00 21.22 C ATOM 223 C GLU A 14 -6.944 -7.331 0.632 1.00 44.32 C ATOM 224 O GLU A 14 -6.458 -8.338 1.154 1.00 45.32 O ATOM 225 CB GLU A 14 -9.328 -6.813 1.225 1.00 2.14 C ATOM 226 CG GLU A 14 -9.849 -6.576 -0.181 1.00 42.45 C ATOM 227 CD GLU A 14 -11.173 -7.260 -0.431 1.00 32.32 C ATOM 228 OE1 GLU A 14 -12.221 -6.722 -0.016 1.00 1.50 O ATOM 229 OE2 GLU A 14 -11.173 -8.350 -1.034 1.00 32.04 O ATOM 0 H GLU A 14 -8.455 -4.559 0.604 1.00 22.22 H new ATOM 0 HA GLU A 14 -7.623 -6.504 2.483 1.00 21.22 H new ATOM 0 HB2 GLU A 14 -9.436 -7.870 1.468 1.00 2.14 H new ATOM 0 HB3 GLU A 14 -9.949 -6.259 1.929 1.00 2.14 H new ATOM 0 HG2 GLU A 14 -9.960 -5.505 -0.348 1.00 42.45 H new ATOM 0 HG3 GLU A 14 -9.116 -6.937 -0.902 1.00 42.45 H new ATOM 236 N GLU A 15 -6.690 -6.972 -0.624 1.00 23.54 N ATOM 237 CA GLU A 15 -5.811 -7.747 -1.488 1.00 63.34 C ATOM 238 C GLU A 15 -4.366 -7.603 -1.023 1.00 72.33 C ATOM 239 O GLU A 15 -3.579 -8.544 -1.086 1.00 31.20 O ATOM 240 CB GLU A 15 -5.954 -7.276 -2.939 1.00 10.22 C ATOM 241 CG GLU A 15 -5.208 -8.139 -3.945 1.00 22.12 C ATOM 242 CD GLU A 15 -5.402 -7.674 -5.376 1.00 24.13 C ATOM 243 OE1 GLU A 15 -6.564 -7.461 -5.781 1.00 65.32 O ATOM 244 OE2 GLU A 15 -4.400 -7.536 -6.108 1.00 72.30 O ATOM 0 H GLU A 15 -7.085 -6.142 -1.066 1.00 23.54 H new ATOM 0 HA GLU A 15 -6.093 -8.798 -1.433 1.00 63.34 H new ATOM 0 HB2 GLU A 15 -7.012 -7.260 -3.203 1.00 10.22 H new ATOM 0 HB3 GLU A 15 -5.591 -6.251 -3.015 1.00 10.22 H new ATOM 0 HG2 GLU A 15 -4.145 -8.131 -3.706 1.00 22.12 H new ATOM 0 HG3 GLU A 15 -5.547 -9.171 -3.854 1.00 22.12 H new ATOM 251 N LEU A 16 -4.051 -6.424 -0.507 1.00 62.13 N ATOM 252 CA LEU A 16 -2.705 -6.103 -0.061 1.00 62.21 C ATOM 253 C LEU A 16 -2.479 -6.678 1.322 1.00 72.40 C ATOM 254 O LEU A 16 -1.411 -7.200 1.633 1.00 54.21 O ATOM 255 CB LEU A 16 -2.519 -4.585 -0.043 1.00 64.22 C ATOM 256 CG LEU A 16 -1.166 -4.091 0.452 1.00 1.15 C ATOM 257 CD1 LEU A 16 -0.036 -4.707 -0.356 1.00 23.34 C ATOM 258 CD2 LEU A 16 -1.118 -2.580 0.368 1.00 64.32 C ATOM 0 H LEU A 16 -4.721 -5.664 -0.386 1.00 62.13 H new ATOM 0 HA LEU A 16 -1.978 -6.538 -0.747 1.00 62.21 H new ATOM 0 HB2 LEU A 16 -2.676 -4.206 -1.053 1.00 64.22 H new ATOM 0 HB3 LEU A 16 -3.296 -4.150 0.585 1.00 64.22 H new ATOM 0 HG LEU A 16 -1.037 -4.396 1.490 1.00 1.15 H new ATOM 0 HD11 LEU A 16 0.920 -4.339 0.016 1.00 23.34 H new ATOM 0 HD12 LEU A 16 -0.069 -5.792 -0.260 1.00 23.34 H new ATOM 0 HD13 LEU A 16 -0.147 -4.432 -1.405 1.00 23.34 H new ATOM 0 HD21 LEU A 16 -0.150 -2.226 0.722 1.00 64.32 H new ATOM 0 HD22 LEU A 16 -1.262 -2.268 -0.667 1.00 64.32 H new ATOM 0 HD23 LEU A 16 -1.908 -2.156 0.988 1.00 64.32 H new ATOM 270 N LYS A 17 -3.509 -6.574 2.137 1.00 73.13 N ATOM 271 CA LYS A 17 -3.528 -7.155 3.466 1.00 11.23 C ATOM 272 C LYS A 17 -3.239 -8.648 3.391 1.00 53.13 C ATOM 273 O LYS A 17 -2.460 -9.192 4.181 1.00 4.20 O ATOM 274 CB LYS A 17 -4.904 -6.912 4.082 1.00 14.24 C ATOM 275 CG LYS A 17 -5.088 -7.535 5.445 1.00 74.22 C ATOM 276 CD LYS A 17 -6.494 -7.307 5.974 1.00 63.12 C ATOM 277 CE LYS A 17 -6.731 -8.063 7.270 1.00 13.22 C ATOM 278 NZ LYS A 17 -6.644 -9.536 7.081 1.00 31.44 N ATOM 0 H LYS A 17 -4.367 -6.078 1.893 1.00 73.13 H new ATOM 0 HA LYS A 17 -2.759 -6.692 4.085 1.00 11.23 H new ATOM 0 HB2 LYS A 17 -5.071 -5.838 4.160 1.00 14.24 H new ATOM 0 HB3 LYS A 17 -5.666 -7.305 3.409 1.00 14.24 H new ATOM 0 HG2 LYS A 17 -4.888 -8.605 5.387 1.00 74.22 H new ATOM 0 HG3 LYS A 17 -4.363 -7.112 6.141 1.00 74.22 H new ATOM 0 HD2 LYS A 17 -6.653 -6.241 6.139 1.00 63.12 H new ATOM 0 HD3 LYS A 17 -7.221 -7.626 5.227 1.00 63.12 H new ATOM 0 HE2 LYS A 17 -5.997 -7.749 8.012 1.00 13.22 H new ATOM 0 HE3 LYS A 17 -7.714 -7.806 7.665 1.00 13.22 H new ATOM 0 HZ1 LYS A 17 -7.085 -10.017 7.891 1.00 31.44 H new ATOM 0 HZ2 LYS A 17 -7.141 -9.804 6.208 1.00 31.44 H new ATOM 0 HZ3 LYS A 17 -5.646 -9.819 7.012 1.00 31.44 H new ATOM 292 N SER A 18 -3.865 -9.302 2.424 1.00 1.12 N ATOM 293 CA SER A 18 -3.653 -10.717 2.199 1.00 34.54 C ATOM 294 C SER A 18 -2.269 -10.960 1.597 1.00 72.04 C ATOM 295 O SER A 18 -1.610 -11.945 1.915 1.00 4.51 O ATOM 296 CB SER A 18 -4.737 -11.268 1.270 1.00 31.14 C ATOM 297 OG SER A 18 -6.035 -10.938 1.749 1.00 40.40 O ATOM 0 H SER A 18 -4.527 -8.869 1.781 1.00 1.12 H new ATOM 0 HA SER A 18 -3.710 -11.235 3.156 1.00 34.54 H new ATOM 0 HB2 SER A 18 -4.602 -10.863 0.267 1.00 31.14 H new ATOM 0 HB3 SER A 18 -4.639 -12.351 1.192 1.00 31.14 H new ATOM 0 HG SER A 18 -6.233 -10.002 1.539 1.00 40.40 H new ATOM 303 N PHE A 19 -1.821 -10.033 0.757 1.00 31.40 N ATOM 304 CA PHE A 19 -0.559 -10.190 0.043 1.00 24.10 C ATOM 305 C PHE A 19 0.628 -10.035 0.991 1.00 53.43 C ATOM 306 O PHE A 19 1.607 -10.780 0.905 1.00 2.51 O ATOM 307 CB PHE A 19 -0.461 -9.174 -1.094 1.00 40.53 C ATOM 308 CG PHE A 19 0.595 -9.505 -2.109 1.00 0.51 C ATOM 309 CD1 PHE A 19 0.336 -10.428 -3.109 1.00 12.43 C ATOM 310 CD2 PHE A 19 1.840 -8.899 -2.064 1.00 2.45 C ATOM 311 CE1 PHE A 19 1.300 -10.739 -4.047 1.00 63.12 C ATOM 312 CE2 PHE A 19 2.807 -9.207 -3.000 1.00 72.52 C ATOM 313 CZ PHE A 19 2.537 -10.128 -3.992 1.00 70.20 C ATOM 0 H PHE A 19 -2.314 -9.164 0.554 1.00 31.40 H new ATOM 0 HA PHE A 19 -0.532 -11.195 -0.378 1.00 24.10 H new ATOM 0 HB2 PHE A 19 -1.427 -9.109 -1.595 1.00 40.53 H new ATOM 0 HB3 PHE A 19 -0.253 -8.190 -0.674 1.00 40.53 H new ATOM 0 HD1 PHE A 19 -0.630 -10.909 -3.155 1.00 12.43 H new ATOM 0 HD2 PHE A 19 2.056 -8.179 -1.289 1.00 2.45 H new ATOM 0 HE1 PHE A 19 1.087 -11.459 -4.823 1.00 63.12 H new ATOM 0 HE2 PHE A 19 3.774 -8.728 -2.956 1.00 72.52 H new ATOM 0 HZ PHE A 19 3.293 -10.371 -4.725 1.00 70.20 H new ATOM 323 N VAL A 20 0.541 -9.068 1.892 1.00 53.20 N ATOM 324 CA VAL A 20 1.568 -8.893 2.909 1.00 20.02 C ATOM 325 C VAL A 20 1.582 -10.089 3.851 1.00 53.45 C ATOM 326 O VAL A 20 2.641 -10.569 4.233 1.00 72.30 O ATOM 327 CB VAL A 20 1.374 -7.585 3.707 1.00 1.23 C ATOM 328 CG1 VAL A 20 2.311 -7.527 4.904 1.00 33.12 C ATOM 329 CG2 VAL A 20 1.612 -6.389 2.808 1.00 54.23 C ATOM 0 H VAL A 20 -0.225 -8.396 1.940 1.00 53.20 H new ATOM 0 HA VAL A 20 2.529 -8.824 2.398 1.00 20.02 H new ATOM 0 HB VAL A 20 0.349 -7.563 4.076 1.00 1.23 H new ATOM 0 HG11 VAL A 20 2.151 -6.595 5.446 1.00 33.12 H new ATOM 0 HG12 VAL A 20 2.110 -8.370 5.565 1.00 33.12 H new ATOM 0 HG13 VAL A 20 3.344 -7.574 4.560 1.00 33.12 H new ATOM 0 HG21 VAL A 20 1.473 -5.471 3.379 1.00 54.23 H new ATOM 0 HG22 VAL A 20 2.629 -6.423 2.418 1.00 54.23 H new ATOM 0 HG23 VAL A 20 0.905 -6.411 1.979 1.00 54.23 H new ATOM 339 N ARG A 21 0.403 -10.591 4.186 1.00 50.00 N ATOM 340 CA ARG A 21 0.284 -11.773 5.022 1.00 21.43 C ATOM 341 C ARG A 21 0.900 -12.980 4.307 1.00 65.02 C ATOM 342 O ARG A 21 1.363 -13.934 4.938 1.00 61.12 O ATOM 343 CB ARG A 21 -1.198 -11.999 5.345 1.00 35.20 C ATOM 344 CG ARG A 21 -1.476 -13.077 6.377 1.00 30.42 C ATOM 345 CD ARG A 21 -1.757 -14.420 5.724 1.00 72.14 C ATOM 346 NE ARG A 21 -0.712 -15.401 6.016 1.00 13.24 N ATOM 347 CZ ARG A 21 -0.896 -16.515 6.725 1.00 0.04 C ATOM 348 NH1 ARG A 21 -2.078 -16.789 7.265 1.00 73.40 N ATOM 349 NH2 ARG A 21 0.119 -17.349 6.909 1.00 40.04 N ATOM 0 H ARG A 21 -0.489 -10.195 3.889 1.00 50.00 H new ATOM 0 HA ARG A 21 0.827 -11.636 5.957 1.00 21.43 H new ATOM 0 HB2 ARG A 21 -1.624 -11.060 5.700 1.00 35.20 H new ATOM 0 HB3 ARG A 21 -1.719 -12.257 4.423 1.00 35.20 H new ATOM 0 HG2 ARG A 21 -0.621 -13.169 7.046 1.00 30.42 H new ATOM 0 HG3 ARG A 21 -2.329 -12.784 6.989 1.00 30.42 H new ATOM 0 HD2 ARG A 21 -2.718 -14.799 6.073 1.00 72.14 H new ATOM 0 HD3 ARG A 21 -1.839 -14.288 4.645 1.00 72.14 H new ATOM 0 HE ARG A 21 0.223 -15.220 5.652 1.00 13.24 H new ATOM 0 HH11 ARG A 21 -2.858 -16.144 7.139 1.00 73.40 H new ATOM 0 HH12 ARG A 21 -2.206 -17.645 7.805 1.00 73.40 H new ATOM 0 HH21 ARG A 21 1.033 -17.136 6.509 1.00 40.04 H new ATOM 0 HH22 ARG A 21 -0.014 -18.203 7.450 1.00 40.04 H new ATOM 363 N LYS A 22 0.940 -12.902 2.982 1.00 63.44 N ATOM 364 CA LYS A 22 1.462 -13.964 2.146 1.00 25.21 C ATOM 365 C LYS A 22 2.990 -13.978 2.143 1.00 71.54 C ATOM 366 O LYS A 22 3.609 -14.888 2.693 1.00 5.54 O ATOM 367 CB LYS A 22 0.953 -13.784 0.719 1.00 33.24 C ATOM 368 CG LYS A 22 -0.426 -14.364 0.465 1.00 64.30 C ATOM 369 CD LYS A 22 -1.021 -13.804 -0.816 1.00 55.45 C ATOM 370 CE LYS A 22 -2.404 -14.370 -1.085 1.00 75.53 C ATOM 371 NZ LYS A 22 -2.349 -15.776 -1.562 1.00 51.11 N ATOM 0 H LYS A 22 0.607 -12.092 2.459 1.00 63.44 H new ATOM 0 HA LYS A 22 1.116 -14.914 2.553 1.00 25.21 H new ATOM 0 HB2 LYS A 22 0.934 -12.720 0.485 1.00 33.24 H new ATOM 0 HB3 LYS A 22 1.661 -14.249 0.033 1.00 33.24 H new ATOM 0 HG2 LYS A 22 -0.361 -15.450 0.397 1.00 64.30 H new ATOM 0 HG3 LYS A 22 -1.082 -14.136 1.305 1.00 64.30 H new ATOM 0 HD2 LYS A 22 -1.079 -12.718 -0.746 1.00 55.45 H new ATOM 0 HD3 LYS A 22 -0.364 -14.035 -1.654 1.00 55.45 H new ATOM 0 HE2 LYS A 22 -2.999 -14.320 -0.173 1.00 75.53 H new ATOM 0 HE3 LYS A 22 -2.909 -13.754 -1.830 1.00 75.53 H new ATOM 0 HZ1 LYS A 22 -3.315 -16.123 -1.733 1.00 51.11 H new ATOM 0 HZ2 LYS A 22 -1.803 -15.822 -2.446 1.00 51.11 H new ATOM 0 HZ3 LYS A 22 -1.891 -16.369 -0.841 1.00 51.11 H new ATOM 385 N TYR A 23 3.599 -12.962 1.536 1.00 2.54 N ATOM 386 CA TYR A 23 5.045 -12.973 1.315 1.00 61.01 C ATOM 387 C TYR A 23 5.721 -11.786 1.985 1.00 22.10 C ATOM 388 O TYR A 23 6.938 -11.785 2.165 1.00 52.43 O ATOM 389 CB TYR A 23 5.355 -12.940 -0.186 1.00 11.50 C ATOM 390 CG TYR A 23 4.615 -13.985 -0.992 1.00 75.53 C ATOM 391 CD1 TYR A 23 4.931 -15.333 -0.881 1.00 44.00 C ATOM 392 CD2 TYR A 23 3.601 -13.618 -1.869 1.00 4.23 C ATOM 393 CE1 TYR A 23 4.255 -16.287 -1.618 1.00 22.13 C ATOM 394 CE2 TYR A 23 2.919 -14.566 -2.609 1.00 73.42 C ATOM 395 CZ TYR A 23 3.250 -15.899 -2.482 1.00 2.30 C ATOM 396 OH TYR A 23 2.574 -16.846 -3.220 1.00 14.11 O ATOM 0 H TYR A 23 3.121 -12.129 1.191 1.00 2.54 H new ATOM 0 HA TYR A 23 5.433 -13.892 1.755 1.00 61.01 H new ATOM 0 HB2 TYR A 23 5.107 -11.953 -0.576 1.00 11.50 H new ATOM 0 HB3 TYR A 23 6.427 -13.079 -0.328 1.00 11.50 H new ATOM 0 HD1 TYR A 23 5.718 -15.641 -0.208 1.00 44.00 H new ATOM 0 HD2 TYR A 23 3.342 -12.575 -1.974 1.00 4.23 H new ATOM 0 HE1 TYR A 23 4.512 -17.331 -1.519 1.00 22.13 H new ATOM 0 HE2 TYR A 23 2.131 -14.264 -3.283 1.00 73.42 H new ATOM 0 HH TYR A 23 1.898 -16.406 -3.776 1.00 14.11 H new ATOM 406 N ARG A 24 4.912 -10.799 2.366 1.00 61.41 N ATOM 407 CA ARG A 24 5.399 -9.511 2.857 1.00 72.52 C ATOM 408 C ARG A 24 6.015 -8.703 1.730 1.00 61.24 C ATOM 409 O ARG A 24 7.061 -9.060 1.189 1.00 70.45 O ATOM 410 CB ARG A 24 6.391 -9.648 4.022 1.00 51.02 C ATOM 411 CG ARG A 24 5.714 -9.779 5.373 1.00 0.35 C ATOM 412 CD ARG A 24 5.111 -11.152 5.567 1.00 32.30 C ATOM 413 NE ARG A 24 6.030 -12.077 6.233 1.00 33.43 N ATOM 414 CZ ARG A 24 5.954 -13.404 6.127 1.00 52.12 C ATOM 415 NH1 ARG A 24 5.042 -13.961 5.341 1.00 73.43 N ATOM 416 NH2 ARG A 24 6.793 -14.175 6.803 1.00 54.31 N ATOM 0 H ARG A 24 3.895 -10.871 2.343 1.00 61.41 H new ATOM 0 HA ARG A 24 4.529 -8.981 3.245 1.00 72.52 H new ATOM 0 HB2 ARG A 24 7.021 -10.521 3.853 1.00 51.02 H new ATOM 0 HB3 ARG A 24 7.048 -8.778 4.035 1.00 51.02 H new ATOM 0 HG2 ARG A 24 6.439 -9.585 6.163 1.00 0.35 H new ATOM 0 HG3 ARG A 24 4.934 -9.023 5.464 1.00 0.35 H new ATOM 0 HD2 ARG A 24 4.198 -11.065 6.156 1.00 32.30 H new ATOM 0 HD3 ARG A 24 4.827 -11.561 4.597 1.00 32.30 H new ATOM 0 HE ARG A 24 6.772 -11.683 6.812 1.00 33.43 H new ATOM 0 HH11 ARG A 24 4.395 -13.374 4.815 1.00 73.43 H new ATOM 0 HH12 ARG A 24 4.988 -14.977 5.263 1.00 73.43 H new ATOM 0 HH21 ARG A 24 7.499 -13.754 7.406 1.00 54.31 H new ATOM 0 HH22 ARG A 24 6.733 -15.190 6.720 1.00 54.31 H new ATOM 430 N ARG A 25 5.330 -7.619 1.385 1.00 62.35 N ATOM 431 CA ARG A 25 5.782 -6.692 0.353 1.00 52.41 C ATOM 432 C ARG A 25 5.647 -7.335 -1.034 1.00 5.43 C ATOM 433 O ARG A 25 5.136 -8.448 -1.148 1.00 2.45 O ATOM 434 CB ARG A 25 7.223 -6.279 0.664 1.00 2.30 C ATOM 435 CG ARG A 25 7.769 -5.136 -0.161 1.00 32.11 C ATOM 436 CD ARG A 25 9.117 -4.728 0.378 1.00 51.42 C ATOM 437 NE ARG A 25 9.880 -3.918 -0.570 1.00 32.20 N ATOM 438 CZ ARG A 25 11.138 -4.188 -0.911 1.00 0.25 C ATOM 439 NH1 ARG A 25 11.755 -5.239 -0.391 1.00 24.34 N ATOM 440 NH2 ARG A 25 11.782 -3.409 -1.771 1.00 75.43 N ATOM 0 H ARG A 25 4.443 -7.357 1.814 1.00 62.35 H new ATOM 0 HA ARG A 25 5.161 -5.796 0.345 1.00 52.41 H new ATOM 0 HB2 ARG A 25 7.284 -6.004 1.717 1.00 2.30 H new ATOM 0 HB3 ARG A 25 7.869 -7.146 0.523 1.00 2.30 H new ATOM 0 HG2 ARG A 25 7.858 -5.437 -1.205 1.00 32.11 H new ATOM 0 HG3 ARG A 25 7.082 -4.290 -0.131 1.00 32.11 H new ATOM 0 HD2 ARG A 25 8.980 -4.166 1.302 1.00 51.42 H new ATOM 0 HD3 ARG A 25 9.689 -5.621 0.630 1.00 51.42 H new ATOM 0 HE ARG A 25 9.427 -3.107 -0.990 1.00 32.20 H new ATOM 0 HH11 ARG A 25 11.266 -5.842 0.271 1.00 24.34 H new ATOM 0 HH12 ARG A 25 12.719 -5.445 -0.653 1.00 24.34 H new ATOM 0 HH21 ARG A 25 11.313 -2.598 -2.175 1.00 75.43 H new ATOM 0 HH22 ARG A 25 12.746 -3.621 -2.028 1.00 75.43 H new ATOM 454 N PHE A 26 6.054 -6.625 -2.083 1.00 5.40 N ATOM 455 CA PHE A 26 5.966 -7.147 -3.445 1.00 51.01 C ATOM 456 C PHE A 26 7.337 -7.560 -3.977 1.00 15.45 C ATOM 457 O PHE A 26 8.016 -6.757 -4.619 1.00 15.35 O ATOM 458 CB PHE A 26 5.386 -6.101 -4.400 1.00 32.44 C ATOM 459 CG PHE A 26 4.287 -5.268 -3.820 1.00 10.05 C ATOM 460 CD1 PHE A 26 2.974 -5.697 -3.863 1.00 2.53 C ATOM 461 CD2 PHE A 26 4.574 -4.043 -3.239 1.00 42.41 C ATOM 462 CE1 PHE A 26 1.965 -4.919 -3.335 1.00 1.52 C ATOM 463 CE2 PHE A 26 3.570 -3.262 -2.713 1.00 51.41 C ATOM 464 CZ PHE A 26 2.265 -3.701 -2.760 1.00 64.11 C ATOM 0 H PHE A 26 6.448 -5.687 -2.017 1.00 5.40 H new ATOM 0 HA PHE A 26 5.312 -8.018 -3.400 1.00 51.01 H new ATOM 0 HB2 PHE A 26 6.190 -5.441 -4.727 1.00 32.44 H new ATOM 0 HB3 PHE A 26 5.009 -6.608 -5.288 1.00 32.44 H new ATOM 0 HD1 PHE A 26 2.736 -6.649 -4.314 1.00 2.53 H new ATOM 0 HD2 PHE A 26 5.596 -3.697 -3.198 1.00 42.41 H new ATOM 0 HE1 PHE A 26 0.942 -5.262 -3.372 1.00 1.52 H new ATOM 0 HE2 PHE A 26 3.805 -2.308 -2.265 1.00 51.41 H new ATOM 0 HZ PHE A 26 1.476 -3.091 -2.346 1.00 64.11 H new ATOM 474 N PRO A 27 7.784 -8.797 -3.715 1.00 54.22 N ATOM 475 CA PRO A 27 9.022 -9.313 -4.300 1.00 44.31 C ATOM 476 C PRO A 27 8.851 -9.552 -5.799 1.00 35.41 C ATOM 477 O PRO A 27 9.800 -9.449 -6.579 1.00 63.13 O ATOM 478 CB PRO A 27 9.257 -10.640 -3.561 1.00 72.00 C ATOM 479 CG PRO A 27 8.308 -10.633 -2.409 1.00 5.13 C ATOM 480 CD PRO A 27 7.149 -9.787 -2.838 1.00 32.02 C ATOM 0 HA PRO A 27 9.857 -8.621 -4.196 1.00 44.31 H new ATOM 0 HB2 PRO A 27 9.072 -11.491 -4.216 1.00 72.00 H new ATOM 0 HB3 PRO A 27 10.289 -10.720 -3.218 1.00 72.00 H new ATOM 0 HG2 PRO A 27 7.984 -11.644 -2.164 1.00 5.13 H new ATOM 0 HG3 PRO A 27 8.781 -10.224 -1.516 1.00 5.13 H new ATOM 0 HD2 PRO A 27 6.394 -10.371 -3.365 1.00 32.02 H new ATOM 0 HD3 PRO A 27 6.653 -9.317 -1.988 1.00 32.02 H new ATOM 488 N LYS A 28 7.617 -9.859 -6.182 1.00 20.25 N ATOM 489 CA LYS A 28 7.257 -10.076 -7.577 1.00 75.03 C ATOM 490 C LYS A 28 6.828 -8.769 -8.248 1.00 64.12 C ATOM 491 O LYS A 28 7.460 -8.321 -9.206 1.00 74.20 O ATOM 492 CB LYS A 28 6.128 -11.112 -7.674 1.00 63.35 C ATOM 493 CG LYS A 28 5.057 -10.939 -6.605 1.00 71.42 C ATOM 494 CD LYS A 28 3.795 -11.743 -6.892 1.00 4.42 C ATOM 495 CE LYS A 28 4.023 -13.249 -6.849 1.00 64.11 C ATOM 496 NZ LYS A 28 4.605 -13.769 -8.114 1.00 23.22 N ATOM 0 H LYS A 28 6.837 -9.964 -5.533 1.00 20.25 H new ATOM 0 HA LYS A 28 8.137 -10.452 -8.099 1.00 75.03 H new ATOM 0 HB2 LYS A 28 5.664 -11.042 -8.658 1.00 63.35 H new ATOM 0 HB3 LYS A 28 6.554 -12.112 -7.593 1.00 63.35 H new ATOM 0 HG2 LYS A 28 5.463 -11.242 -5.640 1.00 71.42 H new ATOM 0 HG3 LYS A 28 4.798 -9.883 -6.525 1.00 71.42 H new ATOM 0 HD2 LYS A 28 3.028 -11.477 -6.164 1.00 4.42 H new ATOM 0 HD3 LYS A 28 3.411 -11.468 -7.874 1.00 4.42 H new ATOM 0 HE2 LYS A 28 4.688 -13.490 -6.020 1.00 64.11 H new ATOM 0 HE3 LYS A 28 3.076 -13.752 -6.654 1.00 64.11 H new ATOM 0 HZ1 LYS A 28 4.186 -14.695 -8.334 1.00 23.22 H new ATOM 0 HZ2 LYS A 28 4.402 -13.105 -8.888 1.00 23.22 H new ATOM 0 HZ3 LYS A 28 5.634 -13.871 -8.006 1.00 23.22 H new ATOM 510 N SER A 29 5.758 -8.163 -7.721 1.00 65.21 N ATOM 511 CA SER A 29 5.145 -6.963 -8.304 1.00 11.44 C ATOM 512 C SER A 29 4.457 -7.287 -9.636 1.00 4.50 C ATOM 513 O SER A 29 4.518 -8.421 -10.118 1.00 41.01 O ATOM 514 CB SER A 29 6.183 -5.847 -8.495 1.00 23.11 C ATOM 515 OG SER A 29 6.802 -5.508 -7.265 1.00 35.31 O ATOM 0 H SER A 29 5.291 -8.492 -6.876 1.00 65.21 H new ATOM 0 HA SER A 29 4.388 -6.608 -7.605 1.00 11.44 H new ATOM 0 HB2 SER A 29 6.940 -6.169 -9.210 1.00 23.11 H new ATOM 0 HB3 SER A 29 5.700 -4.966 -8.917 1.00 23.11 H new ATOM 0 HG SER A 29 7.459 -4.797 -7.415 1.00 35.31 H new ATOM 521 N THR A 30 3.792 -6.282 -10.211 1.00 60.31 N ATOM 522 CA THR A 30 3.127 -6.407 -11.501 1.00 61.32 C ATOM 523 C THR A 30 2.043 -7.496 -11.504 1.00 63.20 C ATOM 524 O THR A 30 1.879 -8.217 -12.491 1.00 32.24 O ATOM 525 CB THR A 30 4.152 -6.697 -12.609 1.00 64.30 C ATOM 526 OG1 THR A 30 5.438 -6.177 -12.236 1.00 3.35 O ATOM 527 CG2 THR A 30 3.713 -6.043 -13.902 1.00 0.43 C ATOM 0 H THR A 30 3.702 -5.357 -9.790 1.00 60.31 H new ATOM 0 HA THR A 30 2.636 -5.453 -11.692 1.00 61.32 H new ATOM 0 HB THR A 30 4.220 -7.776 -12.748 1.00 64.30 H new ATOM 0 HG1 THR A 30 6.086 -6.367 -12.946 1.00 3.35 H new ATOM 0 HG21 THR A 30 4.444 -6.253 -14.683 1.00 0.43 H new ATOM 0 HG22 THR A 30 2.742 -6.439 -14.199 1.00 0.43 H new ATOM 0 HG23 THR A 30 3.636 -4.965 -13.757 1.00 0.43 H new ATOM 535 N GLU A 31 1.283 -7.597 -10.414 1.00 63.23 N ATOM 536 CA GLU A 31 0.203 -8.577 -10.325 1.00 51.50 C ATOM 537 C GLU A 31 -0.998 -8.015 -9.567 1.00 13.31 C ATOM 538 O GLU A 31 -0.834 -7.282 -8.591 1.00 74.54 O ATOM 539 CB GLU A 31 0.686 -9.859 -9.644 1.00 33.14 C ATOM 540 CG GLU A 31 1.553 -10.739 -10.533 1.00 43.41 C ATOM 541 CD GLU A 31 1.943 -12.045 -9.870 1.00 55.02 C ATOM 542 OE1 GLU A 31 1.061 -12.710 -9.289 1.00 71.44 O ATOM 543 OE2 GLU A 31 3.131 -12.429 -9.945 1.00 13.21 O ATOM 0 H GLU A 31 1.395 -7.015 -9.584 1.00 63.23 H new ATOM 0 HA GLU A 31 -0.108 -8.809 -11.344 1.00 51.50 H new ATOM 0 HB2 GLU A 31 1.251 -9.594 -8.750 1.00 33.14 H new ATOM 0 HB3 GLU A 31 -0.180 -10.433 -9.315 1.00 33.14 H new ATOM 0 HG2 GLU A 31 1.017 -10.953 -11.458 1.00 43.41 H new ATOM 0 HG3 GLU A 31 2.456 -10.193 -10.807 1.00 43.41 H new ATOM 550 N GLY A 32 -2.196 -8.356 -10.041 1.00 70.51 N ATOM 551 CA GLY A 32 -3.426 -7.967 -9.368 1.00 24.12 C ATOM 552 C GLY A 32 -3.678 -6.475 -9.411 1.00 0.54 C ATOM 553 O GLY A 32 -3.091 -5.760 -10.224 1.00 1.43 O ATOM 0 H GLY A 32 -2.337 -8.902 -10.891 1.00 70.51 H new ATOM 0 HA2 GLY A 32 -4.266 -8.485 -9.830 1.00 24.12 H new ATOM 0 HA3 GLY A 32 -3.384 -8.293 -8.329 1.00 24.12 H new ATOM 557 N ASN A 33 -4.555 -6.006 -8.532 1.00 61.23 N ATOM 558 CA ASN A 33 -4.833 -4.580 -8.419 1.00 10.53 C ATOM 559 C ASN A 33 -3.620 -3.888 -7.822 1.00 54.35 C ATOM 560 O ASN A 33 -3.400 -2.692 -8.019 1.00 3.54 O ATOM 561 CB ASN A 33 -6.066 -4.317 -7.545 1.00 42.24 C ATOM 562 CG ASN A 33 -7.355 -4.860 -8.141 1.00 43.04 C ATOM 563 OD1 ASN A 33 -8.017 -4.194 -8.942 1.00 65.34 O ATOM 564 ND2 ASN A 33 -7.742 -6.056 -7.729 1.00 10.03 N ATOM 0 H ASN A 33 -5.086 -6.592 -7.887 1.00 61.23 H new ATOM 0 HA ASN A 33 -5.042 -4.185 -9.413 1.00 10.53 H new ATOM 0 HB2 ASN A 33 -5.910 -4.767 -6.565 1.00 42.24 H new ATOM 0 HB3 ASN A 33 -6.170 -3.243 -7.390 1.00 42.24 H new ATOM 0 HD21 ASN A 33 -8.614 -6.457 -8.074 1.00 10.03 H new ATOM 0 HD22 ASN A 33 -7.168 -6.577 -7.066 1.00 10.03 H new ATOM 571 N LEU A 34 -2.828 -4.671 -7.098 1.00 54.30 N ATOM 572 CA LEU A 34 -1.603 -4.189 -6.479 1.00 64.00 C ATOM 573 C LEU A 34 -0.571 -3.797 -7.529 1.00 33.41 C ATOM 574 O LEU A 34 0.255 -2.912 -7.298 1.00 12.14 O ATOM 575 CB LEU A 34 -1.034 -5.259 -5.554 1.00 24.45 C ATOM 576 CG LEU A 34 -1.949 -5.648 -4.394 1.00 44.11 C ATOM 577 CD1 LEU A 34 -1.293 -6.715 -3.535 1.00 22.24 C ATOM 578 CD2 LEU A 34 -2.300 -4.424 -3.558 1.00 42.31 C ATOM 0 H LEU A 34 -3.019 -5.658 -6.925 1.00 54.30 H new ATOM 0 HA LEU A 34 -1.842 -3.299 -5.896 1.00 64.00 H new ATOM 0 HB2 LEU A 34 -0.816 -6.150 -6.142 1.00 24.45 H new ATOM 0 HB3 LEU A 34 -0.086 -4.904 -5.149 1.00 24.45 H new ATOM 0 HG LEU A 34 -2.872 -6.058 -4.804 1.00 44.11 H new ATOM 0 HD11 LEU A 34 -1.958 -6.980 -2.713 1.00 22.24 H new ATOM 0 HD12 LEU A 34 -1.094 -7.599 -4.141 1.00 22.24 H new ATOM 0 HD13 LEU A 34 -0.355 -6.332 -3.133 1.00 22.24 H new ATOM 0 HD21 LEU A 34 -2.952 -4.720 -2.736 1.00 42.31 H new ATOM 0 HD22 LEU A 34 -1.387 -3.984 -3.156 1.00 42.31 H new ATOM 0 HD23 LEU A 34 -2.812 -3.692 -4.182 1.00 42.31 H new ATOM 590 N GLY A 35 -0.614 -4.467 -8.674 1.00 45.43 N ATOM 591 CA GLY A 35 0.220 -4.083 -9.798 1.00 5.03 C ATOM 592 C GLY A 35 0.049 -2.620 -10.164 1.00 0.34 C ATOM 593 O GLY A 35 1.022 -1.928 -10.456 1.00 64.51 O ATOM 0 H GLY A 35 -1.215 -5.273 -8.845 1.00 45.43 H new ATOM 0 HA2 GLY A 35 1.265 -4.276 -9.556 1.00 5.03 H new ATOM 0 HA3 GLY A 35 -0.027 -4.703 -10.660 1.00 5.03 H new ATOM 597 N GLY A 36 -1.189 -2.147 -10.134 1.00 33.23 N ATOM 598 CA GLY A 36 -1.455 -0.746 -10.400 1.00 14.11 C ATOM 599 C GLY A 36 -1.212 0.110 -9.176 1.00 2.00 C ATOM 600 O GLY A 36 -0.788 1.262 -9.280 1.00 61.44 O ATOM 0 H GLY A 36 -2.016 -2.709 -9.930 1.00 33.23 H new ATOM 0 HA2 GLY A 36 -0.819 -0.403 -11.216 1.00 14.11 H new ATOM 0 HA3 GLY A 36 -2.488 -0.627 -10.728 1.00 14.11 H new ATOM 604 N TRP A 37 -1.468 -0.480 -8.016 1.00 55.13 N ATOM 605 CA TRP A 37 -1.280 0.177 -6.728 1.00 12.11 C ATOM 606 C TRP A 37 0.138 0.723 -6.591 1.00 71.31 C ATOM 607 O TRP A 37 0.338 1.919 -6.353 1.00 22.10 O ATOM 608 CB TRP A 37 -1.542 -0.835 -5.619 1.00 33.41 C ATOM 609 CG TRP A 37 -1.669 -0.211 -4.278 1.00 34.42 C ATOM 610 CD1 TRP A 37 -2.729 0.502 -3.821 1.00 63.11 C ATOM 611 CD2 TRP A 37 -0.707 -0.233 -3.222 1.00 11.12 C ATOM 612 NE1 TRP A 37 -2.490 0.931 -2.548 1.00 54.44 N ATOM 613 CE2 TRP A 37 -1.258 0.490 -2.151 1.00 54.20 C ATOM 614 CE3 TRP A 37 0.563 -0.791 -3.075 1.00 33.01 C ATOM 615 CZ2 TRP A 37 -0.586 0.669 -0.950 1.00 23.42 C ATOM 616 CZ3 TRP A 37 1.232 -0.610 -1.879 1.00 15.22 C ATOM 617 CH2 TRP A 37 0.657 0.115 -0.832 1.00 70.44 C ATOM 0 H TRP A 37 -1.815 -1.436 -7.941 1.00 55.13 H new ATOM 0 HA TRP A 37 -1.975 1.014 -6.655 1.00 12.11 H new ATOM 0 HB2 TRP A 37 -2.456 -1.384 -5.845 1.00 33.41 H new ATOM 0 HB3 TRP A 37 -0.730 -1.562 -5.599 1.00 33.41 H new ATOM 0 HD1 TRP A 37 -3.630 0.701 -4.383 1.00 63.11 H new ATOM 0 HE1 TRP A 37 -3.128 1.491 -1.983 1.00 54.44 H new ATOM 0 HE3 TRP A 37 1.014 -1.353 -3.879 1.00 33.01 H new ATOM 0 HZ2 TRP A 37 -1.030 1.226 -0.138 1.00 23.42 H new ATOM 0 HZ3 TRP A 37 2.216 -1.036 -1.752 1.00 15.22 H new ATOM 0 HH2 TRP A 37 1.207 0.240 0.089 1.00 70.44 H new ATOM 628 N CYS A 38 1.116 -0.158 -6.768 1.00 44.40 N ATOM 629 CA CYS A 38 2.516 0.201 -6.592 1.00 55.15 C ATOM 630 C CYS A 38 2.982 1.191 -7.659 1.00 42.33 C ATOM 631 O CYS A 38 3.841 2.029 -7.399 1.00 44.11 O ATOM 632 CB CYS A 38 3.387 -1.058 -6.610 1.00 45.02 C ATOM 633 SG CYS A 38 3.059 -2.168 -8.001 1.00 11.11 S ATOM 0 H CYS A 38 0.963 -1.131 -7.035 1.00 44.40 H new ATOM 0 HA CYS A 38 2.618 0.692 -5.624 1.00 55.15 H new ATOM 0 HB2 CYS A 38 4.435 -0.760 -6.637 1.00 45.02 H new ATOM 0 HB3 CYS A 38 3.234 -1.605 -5.680 1.00 45.02 H new ATOM 0 HG CYS A 38 1.919 -2.766 -7.820 1.00 11.11 H new ATOM 639 N HIS A 39 2.395 1.106 -8.851 1.00 25.22 N ATOM 640 CA HIS A 39 2.782 1.978 -9.960 1.00 24.35 C ATOM 641 C HIS A 39 2.409 3.434 -9.692 1.00 5.10 C ATOM 642 O HIS A 39 3.144 4.344 -10.071 1.00 15.10 O ATOM 643 CB HIS A 39 2.145 1.513 -11.271 1.00 64.52 C ATOM 644 CG HIS A 39 2.994 0.562 -12.058 1.00 15.23 C ATOM 645 ND1 HIS A 39 2.801 -0.801 -12.061 1.00 44.43 N ATOM 646 CD2 HIS A 39 4.038 0.791 -12.889 1.00 62.32 C ATOM 647 CE1 HIS A 39 3.687 -1.368 -12.858 1.00 54.32 C ATOM 648 NE2 HIS A 39 4.449 -0.425 -13.374 1.00 30.21 N ATOM 0 H HIS A 39 1.652 0.444 -9.074 1.00 25.22 H new ATOM 0 HA HIS A 39 3.866 1.915 -10.050 1.00 24.35 H new ATOM 0 HB2 HIS A 39 1.191 1.034 -11.050 1.00 64.52 H new ATOM 0 HB3 HIS A 39 1.928 2.386 -11.887 1.00 64.52 H new ATOM 0 HD1 HIS A 39 2.085 -1.296 -11.530 1.00 44.43 H new ATOM 0 HD2 HIS A 39 4.468 1.753 -13.126 1.00 62.32 H new ATOM 0 HE1 HIS A 39 3.773 -2.427 -13.054 1.00 54.32 H new ATOM 657 N THR A 40 1.274 3.649 -9.046 1.00 52.02 N ATOM 658 CA THR A 40 0.815 4.998 -8.735 1.00 32.51 C ATOM 659 C THR A 40 1.665 5.621 -7.630 1.00 44.34 C ATOM 660 O THR A 40 2.098 6.771 -7.730 1.00 13.50 O ATOM 661 CB THR A 40 -0.663 4.980 -8.292 1.00 52.44 C ATOM 662 OG1 THR A 40 -1.443 4.225 -9.229 1.00 22.23 O ATOM 663 CG2 THR A 40 -1.223 6.390 -8.183 1.00 2.33 C ATOM 0 H THR A 40 0.651 2.907 -8.726 1.00 52.02 H new ATOM 0 HA THR A 40 0.913 5.598 -9.640 1.00 32.51 H new ATOM 0 HB THR A 40 -0.715 4.513 -7.308 1.00 52.44 H new ATOM 0 HG1 THR A 40 -1.234 3.272 -9.136 1.00 22.23 H new ATOM 0 HG21 THR A 40 -2.266 6.344 -7.869 1.00 2.33 H new ATOM 0 HG22 THR A 40 -0.648 6.954 -7.449 1.00 2.33 H new ATOM 0 HG23 THR A 40 -1.157 6.884 -9.153 1.00 2.33 H new ATOM 671 N GLN A 41 1.926 4.846 -6.588 1.00 34.02 N ATOM 672 CA GLN A 41 2.667 5.342 -5.440 1.00 63.34 C ATOM 673 C GLN A 41 4.167 5.335 -5.700 1.00 11.11 C ATOM 674 O GLN A 41 4.941 5.908 -4.934 1.00 74.21 O ATOM 675 CB GLN A 41 2.303 4.544 -4.201 1.00 11.54 C ATOM 676 CG GLN A 41 0.933 4.927 -3.681 1.00 2.01 C ATOM 677 CD GLN A 41 0.232 3.799 -2.983 1.00 45.02 C ATOM 678 OE1 GLN A 41 0.364 3.614 -1.776 1.00 50.33 O ATOM 679 NE2 GLN A 41 -0.517 3.033 -3.748 1.00 3.33 N ATOM 0 H GLN A 41 1.635 3.871 -6.515 1.00 34.02 H new ATOM 0 HA GLN A 41 2.386 6.381 -5.268 1.00 63.34 H new ATOM 0 HB2 GLN A 41 2.321 3.479 -4.434 1.00 11.54 H new ATOM 0 HB3 GLN A 41 3.049 4.714 -3.425 1.00 11.54 H new ATOM 0 HG2 GLN A 41 1.034 5.766 -2.992 1.00 2.01 H new ATOM 0 HG3 GLN A 41 0.318 5.270 -4.513 1.00 2.01 H new ATOM 0 HE21 GLN A 41 -0.594 3.229 -4.746 1.00 3.33 H new ATOM 0 HE22 GLN A 41 -1.020 2.244 -3.343 1.00 3.33 H new ATOM 688 N ARG A 42 4.560 4.697 -6.797 1.00 35.02 N ATOM 689 CA ARG A 42 5.937 4.742 -7.283 1.00 55.22 C ATOM 690 C ARG A 42 6.354 6.197 -7.495 1.00 31.34 C ATOM 691 O ARG A 42 7.529 6.555 -7.385 1.00 0.02 O ATOM 692 CB ARG A 42 6.026 3.972 -8.605 1.00 10.23 C ATOM 693 CG ARG A 42 7.434 3.711 -9.108 1.00 2.35 C ATOM 694 CD ARG A 42 8.173 2.730 -8.217 1.00 12.12 C ATOM 695 NE ARG A 42 9.200 1.997 -8.959 1.00 51.32 N ATOM 696 CZ ARG A 42 10.475 1.911 -8.589 1.00 31.44 C ATOM 697 NH1 ARG A 42 10.898 2.538 -7.495 1.00 52.14 N ATOM 698 NH2 ARG A 42 11.331 1.198 -9.316 1.00 32.33 N ATOM 0 H ARG A 42 3.935 4.135 -7.375 1.00 35.02 H new ATOM 0 HA ARG A 42 6.605 4.285 -6.553 1.00 55.22 H new ATOM 0 HB2 ARG A 42 5.517 3.015 -8.485 1.00 10.23 H new ATOM 0 HB3 ARG A 42 5.482 4.528 -9.368 1.00 10.23 H new ATOM 0 HG2 ARG A 42 7.391 3.319 -10.124 1.00 2.35 H new ATOM 0 HG3 ARG A 42 7.985 4.650 -9.152 1.00 2.35 H new ATOM 0 HD2 ARG A 42 8.635 3.267 -7.389 1.00 12.12 H new ATOM 0 HD3 ARG A 42 7.463 2.025 -7.784 1.00 12.12 H new ATOM 0 HE ARG A 42 8.920 1.521 -9.816 1.00 51.32 H new ATOM 0 HH11 ARG A 42 10.244 3.087 -6.937 1.00 52.14 H new ATOM 0 HH12 ARG A 42 11.876 2.470 -7.214 1.00 52.14 H new ATOM 0 HH21 ARG A 42 11.010 0.718 -10.157 1.00 32.33 H new ATOM 0 HH22 ARG A 42 12.309 1.132 -9.033 1.00 32.33 H new ATOM 712 N LYS A 43 5.360 7.020 -7.800 1.00 42.02 N ATOM 713 CA LYS A 43 5.552 8.447 -7.996 1.00 33.03 C ATOM 714 C LYS A 43 5.430 9.207 -6.670 1.00 61.42 C ATOM 715 O LYS A 43 6.365 9.887 -6.243 1.00 61.04 O ATOM 716 CB LYS A 43 4.507 8.968 -8.990 1.00 10.33 C ATOM 717 CG LYS A 43 4.369 10.480 -8.983 1.00 52.12 C ATOM 718 CD LYS A 43 3.185 10.940 -9.812 1.00 40.52 C ATOM 719 CE LYS A 43 2.881 12.401 -9.550 1.00 32.24 C ATOM 720 NZ LYS A 43 1.813 12.926 -10.443 1.00 45.31 N ATOM 0 H LYS A 43 4.394 6.713 -7.919 1.00 42.02 H new ATOM 0 HA LYS A 43 6.555 8.612 -8.391 1.00 33.03 H new ATOM 0 HB2 LYS A 43 4.776 8.640 -9.994 1.00 10.33 H new ATOM 0 HB3 LYS A 43 3.540 8.521 -8.757 1.00 10.33 H new ATOM 0 HG2 LYS A 43 4.253 10.830 -7.957 1.00 52.12 H new ATOM 0 HG3 LYS A 43 5.282 10.930 -9.372 1.00 52.12 H new ATOM 0 HD2 LYS A 43 3.397 10.792 -10.871 1.00 40.52 H new ATOM 0 HD3 LYS A 43 2.311 10.334 -9.574 1.00 40.52 H new ATOM 0 HE2 LYS A 43 2.576 12.525 -8.511 1.00 32.24 H new ATOM 0 HE3 LYS A 43 3.788 12.989 -9.688 1.00 32.24 H new ATOM 0 HZ1 LYS A 43 1.641 13.928 -10.226 1.00 45.31 H new ATOM 0 HZ2 LYS A 43 2.113 12.833 -11.435 1.00 45.31 H new ATOM 0 HZ3 LYS A 43 0.938 12.384 -10.294 1.00 45.31 H new ATOM 734 N MET A 44 4.274 9.063 -6.025 1.00 42.20 N ATOM 735 CA MET A 44 3.923 9.834 -4.834 1.00 74.02 C ATOM 736 C MET A 44 4.948 9.671 -3.725 1.00 33.32 C ATOM 737 O MET A 44 5.183 10.597 -2.952 1.00 32.11 O ATOM 738 CB MET A 44 2.555 9.395 -4.303 1.00 31.34 C ATOM 739 CG MET A 44 1.533 9.121 -5.387 1.00 3.44 C ATOM 740 SD MET A 44 1.319 10.505 -6.513 1.00 75.33 S ATOM 741 CE MET A 44 0.336 9.714 -7.780 1.00 21.24 C ATOM 0 H MET A 44 3.551 8.405 -6.315 1.00 42.20 H new ATOM 0 HA MET A 44 3.898 10.882 -5.132 1.00 74.02 H new ATOM 0 HB2 MET A 44 2.682 8.495 -3.701 1.00 31.34 H new ATOM 0 HB3 MET A 44 2.168 10.169 -3.640 1.00 31.34 H new ATOM 0 HG2 MET A 44 1.839 8.242 -5.954 1.00 3.44 H new ATOM 0 HG3 MET A 44 0.575 8.884 -4.924 1.00 3.44 H new ATOM 0 HE1 MET A 44 0.034 10.454 -8.521 1.00 21.24 H new ATOM 0 HE2 MET A 44 0.925 8.935 -8.264 1.00 21.24 H new ATOM 0 HE3 MET A 44 -0.551 9.270 -7.328 1.00 21.24 H new ATOM 751 N ARG A 45 5.545 8.492 -3.646 1.00 63.23 N ATOM 752 CA ARG A 45 6.471 8.173 -2.565 1.00 52.44 C ATOM 753 C ARG A 45 7.638 9.162 -2.529 1.00 15.42 C ATOM 754 O ARG A 45 7.929 9.750 -1.489 1.00 71.13 O ATOM 755 CB ARG A 45 6.982 6.728 -2.726 1.00 33.22 C ATOM 756 CG ARG A 45 7.693 6.147 -1.501 1.00 75.04 C ATOM 757 CD ARG A 45 9.080 6.740 -1.278 1.00 61.13 C ATOM 758 NE ARG A 45 10.018 6.400 -2.348 1.00 74.23 N ATOM 759 CZ ARG A 45 11.304 6.758 -2.347 1.00 72.54 C ATOM 760 NH1 ARG A 45 11.785 7.508 -1.361 1.00 75.11 N ATOM 761 NH2 ARG A 45 12.107 6.376 -3.335 1.00 34.35 N ATOM 0 H ARG A 45 5.406 7.737 -4.318 1.00 63.23 H new ATOM 0 HA ARG A 45 5.941 8.257 -1.616 1.00 52.44 H new ATOM 0 HB2 ARG A 45 6.136 6.086 -2.974 1.00 33.22 H new ATOM 0 HB3 ARG A 45 7.667 6.694 -3.573 1.00 33.22 H new ATOM 0 HG2 ARG A 45 7.082 6.324 -0.616 1.00 75.04 H new ATOM 0 HG3 ARG A 45 7.781 5.067 -1.617 1.00 75.04 H new ATOM 0 HD2 ARG A 45 8.999 7.824 -1.202 1.00 61.13 H new ATOM 0 HD3 ARG A 45 9.475 6.383 -0.327 1.00 61.13 H new ATOM 0 HE ARG A 45 9.670 5.859 -3.139 1.00 74.23 H new ATOM 0 HH11 ARG A 45 11.171 7.810 -0.604 1.00 75.11 H new ATOM 0 HH12 ARG A 45 12.768 7.781 -1.361 1.00 75.11 H new ATOM 0 HH21 ARG A 45 11.741 5.807 -4.098 1.00 34.35 H new ATOM 0 HH22 ARG A 45 13.089 6.652 -3.330 1.00 34.35 H new ATOM 775 N LYS A 46 8.274 9.371 -3.669 1.00 53.33 N ATOM 776 CA LYS A 46 9.471 10.190 -3.723 1.00 34.30 C ATOM 777 C LYS A 46 9.121 11.674 -3.774 1.00 54.12 C ATOM 778 O LYS A 46 9.961 12.533 -3.508 1.00 72.53 O ATOM 779 CB LYS A 46 10.323 9.791 -4.930 1.00 53.02 C ATOM 780 CG LYS A 46 9.728 10.174 -6.276 1.00 3.10 C ATOM 781 CD LYS A 46 10.618 9.709 -7.418 1.00 0.30 C ATOM 782 CE LYS A 46 10.166 10.279 -8.750 1.00 40.25 C ATOM 783 NZ LYS A 46 10.983 9.760 -9.877 1.00 61.40 N ATOM 0 H LYS A 46 7.982 8.986 -4.567 1.00 53.33 H new ATOM 0 HA LYS A 46 10.047 10.019 -2.814 1.00 34.30 H new ATOM 0 HB2 LYS A 46 11.305 10.256 -4.835 1.00 53.02 H new ATOM 0 HB3 LYS A 46 10.478 8.712 -4.909 1.00 53.02 H new ATOM 0 HG2 LYS A 46 8.737 9.731 -6.379 1.00 3.10 H new ATOM 0 HG3 LYS A 46 9.601 11.255 -6.327 1.00 3.10 H new ATOM 0 HD2 LYS A 46 11.647 10.011 -7.223 1.00 0.30 H new ATOM 0 HD3 LYS A 46 10.609 8.620 -7.466 1.00 0.30 H new ATOM 0 HE2 LYS A 46 9.118 10.029 -8.915 1.00 40.25 H new ATOM 0 HE3 LYS A 46 10.234 11.367 -8.722 1.00 40.25 H new ATOM 0 HZ1 LYS A 46 10.644 10.172 -10.770 1.00 61.40 H new ATOM 0 HZ2 LYS A 46 11.980 10.020 -9.732 1.00 61.40 H new ATOM 0 HZ3 LYS A 46 10.898 8.724 -9.919 1.00 61.40 H new ATOM 797 N GLN A 47 7.872 11.968 -4.102 1.00 42.13 N ATOM 798 CA GLN A 47 7.418 13.345 -4.213 1.00 0.44 C ATOM 799 C GLN A 47 6.670 13.788 -2.963 1.00 54.32 C ATOM 800 O GLN A 47 6.158 14.906 -2.898 1.00 62.54 O ATOM 801 CB GLN A 47 6.541 13.509 -5.454 1.00 12.22 C ATOM 802 CG GLN A 47 7.340 13.799 -6.713 1.00 31.42 C ATOM 803 CD GLN A 47 6.482 13.902 -7.959 1.00 32.31 C ATOM 804 OE1 GLN A 47 5.309 14.272 -7.895 1.00 30.52 O ATOM 805 NE2 GLN A 47 7.073 13.594 -9.102 1.00 74.23 N ATOM 0 H GLN A 47 7.154 11.270 -4.296 1.00 42.13 H new ATOM 0 HA GLN A 47 8.295 13.984 -4.312 1.00 0.44 H new ATOM 0 HB2 GLN A 47 5.958 12.600 -5.602 1.00 12.22 H new ATOM 0 HB3 GLN A 47 5.832 14.319 -5.286 1.00 12.22 H new ATOM 0 HG2 GLN A 47 7.888 14.732 -6.580 1.00 31.42 H new ATOM 0 HG3 GLN A 47 8.080 13.012 -6.854 1.00 31.42 H new ATOM 0 HE21 GLN A 47 8.047 13.292 -9.107 1.00 74.23 H new ATOM 0 HE22 GLN A 47 6.554 13.659 -9.978 1.00 74.23 H new ATOM 814 N GLY A 48 6.616 12.909 -1.970 1.00 14.03 N ATOM 815 CA GLY A 48 5.938 13.233 -0.726 1.00 70.50 C ATOM 816 C GLY A 48 4.450 13.456 -0.922 1.00 75.35 C ATOM 817 O GLY A 48 3.814 14.183 -0.160 1.00 2.21 O ATOM 0 H GLY A 48 7.029 11.977 -2.002 1.00 14.03 H new ATOM 0 HA2 GLY A 48 6.091 12.425 -0.010 1.00 70.50 H new ATOM 0 HA3 GLY A 48 6.384 14.129 -0.295 1.00 70.50 H new ATOM 821 N LYS A 49 3.901 12.819 -1.947 1.00 23.42 N ATOM 822 CA LYS A 49 2.491 12.965 -2.286 1.00 73.20 C ATOM 823 C LYS A 49 1.705 11.786 -1.741 1.00 12.54 C ATOM 824 O LYS A 49 0.477 11.751 -1.814 1.00 41.21 O ATOM 825 CB LYS A 49 2.312 13.049 -3.806 1.00 20.43 C ATOM 826 CG LYS A 49 3.108 14.161 -4.477 1.00 73.20 C ATOM 827 CD LYS A 49 2.441 15.524 -4.343 1.00 30.12 C ATOM 828 CE LYS A 49 2.495 16.073 -2.924 1.00 44.54 C ATOM 829 NZ LYS A 49 1.871 17.419 -2.831 1.00 71.41 N ATOM 0 H LYS A 49 4.416 12.190 -2.564 1.00 23.42 H new ATOM 0 HA LYS A 49 2.118 13.886 -1.838 1.00 73.20 H new ATOM 0 HB2 LYS A 49 2.603 12.095 -4.246 1.00 20.43 H new ATOM 0 HB3 LYS A 49 1.254 13.193 -4.027 1.00 20.43 H new ATOM 0 HG2 LYS A 49 4.105 14.204 -4.038 1.00 73.20 H new ATOM 0 HG3 LYS A 49 3.234 13.925 -5.534 1.00 73.20 H new ATOM 0 HD2 LYS A 49 2.926 16.228 -5.018 1.00 30.12 H new ATOM 0 HD3 LYS A 49 1.400 15.446 -4.658 1.00 30.12 H new ATOM 0 HE2 LYS A 49 1.983 15.387 -2.249 1.00 44.54 H new ATOM 0 HE3 LYS A 49 3.533 16.129 -2.595 1.00 44.54 H new ATOM 0 HZ1 LYS A 49 1.927 17.760 -1.850 1.00 71.41 H new ATOM 0 HZ2 LYS A 49 2.375 18.079 -3.457 1.00 71.41 H new ATOM 0 HZ3 LYS A 49 0.874 17.360 -3.121 1.00 71.41 H new ATOM 843 N LEU A 50 2.437 10.820 -1.206 1.00 60.24 N ATOM 844 CA LEU A 50 1.843 9.630 -0.616 1.00 3.43 C ATOM 845 C LEU A 50 0.962 10.014 0.585 1.00 12.02 C ATOM 846 O LEU A 50 1.315 10.913 1.351 1.00 44.21 O ATOM 847 CB LEU A 50 2.983 8.700 -0.180 1.00 72.51 C ATOM 848 CG LEU A 50 3.141 7.392 -0.957 1.00 20.31 C ATOM 849 CD1 LEU A 50 4.328 6.609 -0.423 1.00 14.51 C ATOM 850 CD2 LEU A 50 1.890 6.547 -0.867 1.00 10.13 C ATOM 0 H LEU A 50 3.456 10.839 -1.169 1.00 60.24 H new ATOM 0 HA LEU A 50 1.207 9.123 -1.341 1.00 3.43 H new ATOM 0 HB2 LEU A 50 3.919 9.253 -0.252 1.00 72.51 H new ATOM 0 HB3 LEU A 50 2.838 8.455 0.872 1.00 72.51 H new ATOM 0 HG LEU A 50 3.311 7.642 -2.004 1.00 20.31 H new ATOM 0 HD11 LEU A 50 4.432 5.679 -0.983 1.00 14.51 H new ATOM 0 HD12 LEU A 50 5.235 7.203 -0.534 1.00 14.51 H new ATOM 0 HD13 LEU A 50 4.170 6.382 0.631 1.00 14.51 H new ATOM 0 HD21 LEU A 50 2.033 5.624 -1.429 1.00 10.13 H new ATOM 0 HD22 LEU A 50 1.687 6.308 0.177 1.00 10.13 H new ATOM 0 HD23 LEU A 50 1.047 7.099 -1.284 1.00 10.13 H new ATOM 862 N PRO A 51 -0.199 9.349 0.758 1.00 4.32 N ATOM 863 CA PRO A 51 -1.098 9.601 1.889 1.00 53.24 C ATOM 864 C PRO A 51 -0.606 8.975 3.194 1.00 44.21 C ATOM 865 O PRO A 51 0.127 7.982 3.196 1.00 62.12 O ATOM 866 CB PRO A 51 -2.413 8.956 1.448 1.00 52.01 C ATOM 867 CG PRO A 51 -2.003 7.867 0.522 1.00 23.04 C ATOM 868 CD PRO A 51 -0.759 8.351 -0.170 1.00 31.30 C ATOM 0 HA PRO A 51 -1.178 10.666 2.108 1.00 53.24 H new ATOM 0 HB2 PRO A 51 -2.968 8.564 2.300 1.00 52.01 H new ATOM 0 HB3 PRO A 51 -3.061 9.677 0.950 1.00 52.01 H new ATOM 0 HG2 PRO A 51 -1.810 6.944 1.068 1.00 23.04 H new ATOM 0 HG3 PRO A 51 -2.791 7.652 -0.200 1.00 23.04 H new ATOM 0 HD2 PRO A 51 -0.059 7.535 -0.349 1.00 31.30 H new ATOM 0 HD3 PRO A 51 -0.988 8.792 -1.140 1.00 31.30 H new ATOM 876 N ASN A 52 -1.041 9.563 4.296 1.00 24.22 N ATOM 877 CA ASN A 52 -0.599 9.162 5.631 1.00 1.42 C ATOM 878 C ASN A 52 -1.179 7.814 6.044 1.00 34.11 C ATOM 879 O ASN A 52 -0.434 6.902 6.404 1.00 30.51 O ATOM 880 CB ASN A 52 -0.982 10.224 6.666 1.00 63.43 C ATOM 881 CG ASN A 52 -0.243 11.531 6.461 1.00 25.30 C ATOM 882 OD1 ASN A 52 -0.713 12.418 5.747 1.00 62.12 O ATOM 883 ND2 ASN A 52 0.917 11.664 7.085 1.00 34.10 N ATOM 0 H ASN A 52 -1.711 10.332 4.296 1.00 24.22 H new ATOM 0 HA ASN A 52 0.486 9.065 5.592 1.00 1.42 H new ATOM 0 HB2 ASN A 52 -2.055 10.406 6.614 1.00 63.43 H new ATOM 0 HB3 ASN A 52 -0.771 9.844 7.666 1.00 63.43 H new ATOM 0 HD21 ASN A 52 1.455 12.524 6.983 1.00 34.10 H new ATOM 0 HD22 ASN A 52 1.272 10.906 7.668 1.00 34.10 H new ATOM 890 N ASP A 53 -2.507 7.690 5.984 1.00 13.10 N ATOM 891 CA ASP A 53 -3.196 6.477 6.443 1.00 11.35 C ATOM 892 C ASP A 53 -2.645 5.245 5.746 1.00 32.41 C ATOM 893 O ASP A 53 -2.551 4.172 6.337 1.00 23.11 O ATOM 894 CB ASP A 53 -4.702 6.550 6.176 1.00 35.01 C ATOM 895 CG ASP A 53 -5.389 7.690 6.896 1.00 53.30 C ATOM 896 OD1 ASP A 53 -5.430 7.678 8.142 1.00 13.30 O ATOM 897 OD2 ASP A 53 -5.896 8.603 6.211 1.00 44.02 O ATOM 0 H ASP A 53 -3.128 8.414 5.622 1.00 13.10 H new ATOM 0 HA ASP A 53 -3.024 6.406 7.517 1.00 11.35 H new ATOM 0 HB2 ASP A 53 -4.868 6.656 5.104 1.00 35.01 H new ATOM 0 HB3 ASP A 53 -5.163 5.610 6.479 1.00 35.01 H new ATOM 902 N ARG A 54 -2.273 5.423 4.486 1.00 54.34 N ATOM 903 CA ARG A 54 -1.754 4.341 3.671 1.00 73.50 C ATOM 904 C ARG A 54 -0.542 3.706 4.350 1.00 1.33 C ATOM 905 O ARG A 54 -0.421 2.486 4.395 1.00 25.35 O ATOM 906 CB ARG A 54 -1.385 4.881 2.281 1.00 73.51 C ATOM 907 CG ARG A 54 -1.256 3.823 1.190 1.00 72.31 C ATOM 908 CD ARG A 54 -0.023 2.954 1.367 1.00 2.15 C ATOM 909 NE ARG A 54 1.212 3.734 1.372 1.00 55.03 N ATOM 910 CZ ARG A 54 2.428 3.192 1.400 1.00 5.23 C ATOM 911 NH1 ARG A 54 2.568 1.870 1.397 1.00 55.21 N ATOM 912 NH2 ARG A 54 3.504 3.971 1.421 1.00 73.41 N ATOM 0 H ARG A 54 -2.323 6.320 4.004 1.00 54.34 H new ATOM 0 HA ARG A 54 -2.517 3.571 3.556 1.00 73.50 H new ATOM 0 HB2 ARG A 54 -2.141 5.604 1.977 1.00 73.51 H new ATOM 0 HB3 ARG A 54 -0.441 5.420 2.356 1.00 73.51 H new ATOM 0 HG2 ARG A 54 -2.145 3.192 1.193 1.00 72.31 H new ATOM 0 HG3 ARG A 54 -1.215 4.312 0.217 1.00 72.31 H new ATOM 0 HD2 ARG A 54 -0.103 2.400 2.302 1.00 2.15 H new ATOM 0 HD3 ARG A 54 0.018 2.219 0.564 1.00 2.15 H new ATOM 0 HE ARG A 54 1.139 4.751 1.353 1.00 55.03 H new ATOM 0 HH11 ARG A 54 1.744 1.270 1.373 1.00 55.21 H new ATOM 0 HH12 ARG A 54 3.500 1.456 1.418 1.00 55.21 H new ATOM 0 HH21 ARG A 54 3.399 4.986 1.416 1.00 73.41 H new ATOM 0 HH22 ARG A 54 4.435 3.554 1.442 1.00 73.41 H new ATOM 926 N ARG A 55 0.343 4.531 4.899 1.00 34.01 N ATOM 927 CA ARG A 55 1.527 4.010 5.564 1.00 33.24 C ATOM 928 C ARG A 55 1.146 3.253 6.821 1.00 70.43 C ATOM 929 O ARG A 55 1.614 2.140 7.051 1.00 43.22 O ATOM 930 CB ARG A 55 2.508 5.115 5.954 1.00 33.21 C ATOM 931 CG ARG A 55 3.746 4.547 6.628 1.00 42.12 C ATOM 932 CD ARG A 55 4.486 5.569 7.468 1.00 11.25 C ATOM 933 NE ARG A 55 5.715 4.995 8.015 1.00 60.22 N ATOM 934 CZ ARG A 55 6.926 5.528 7.868 1.00 31.55 C ATOM 935 NH1 ARG A 55 7.077 6.732 7.329 1.00 43.43 N ATOM 936 NH2 ARG A 55 7.993 4.865 8.292 1.00 73.34 N ATOM 0 H ARG A 55 0.264 5.548 4.897 1.00 34.01 H new ATOM 0 HA ARG A 55 2.010 3.346 4.848 1.00 33.24 H new ATOM 0 HB2 ARG A 55 2.800 5.674 5.065 1.00 33.21 H new ATOM 0 HB3 ARG A 55 2.017 5.819 6.626 1.00 33.21 H new ATOM 0 HG2 ARG A 55 3.456 3.707 7.260 1.00 42.12 H new ATOM 0 HG3 ARG A 55 4.420 4.155 5.866 1.00 42.12 H new ATOM 0 HD2 ARG A 55 4.725 6.442 6.861 1.00 11.25 H new ATOM 0 HD3 ARG A 55 3.846 5.912 8.281 1.00 11.25 H new ATOM 0 HE ARG A 55 5.639 4.127 8.545 1.00 60.22 H new ATOM 0 HH11 ARG A 55 6.260 7.260 7.022 1.00 43.43 H new ATOM 0 HH12 ARG A 55 8.010 7.129 7.222 1.00 43.43 H new ATOM 0 HH21 ARG A 55 7.884 3.950 8.729 1.00 73.34 H new ATOM 0 HH22 ARG A 55 8.923 5.270 8.181 1.00 73.34 H new ATOM 950 N LEU A 56 0.285 3.859 7.623 1.00 13.41 N ATOM 951 CA LEU A 56 -0.037 3.320 8.931 1.00 11.43 C ATOM 952 C LEU A 56 -0.760 1.982 8.808 1.00 22.42 C ATOM 953 O LEU A 56 -0.499 1.048 9.567 1.00 25.12 O ATOM 954 CB LEU A 56 -0.880 4.315 9.733 1.00 53.15 C ATOM 955 CG LEU A 56 -0.095 5.438 10.423 1.00 43.45 C ATOM 956 CD1 LEU A 56 0.994 4.852 11.310 1.00 51.20 C ATOM 957 CD2 LEU A 56 0.503 6.399 9.406 1.00 33.52 C ATOM 0 H LEU A 56 -0.202 4.724 7.390 1.00 13.41 H new ATOM 0 HA LEU A 56 0.898 3.152 9.465 1.00 11.43 H new ATOM 0 HB2 LEU A 56 -1.613 4.766 9.064 1.00 53.15 H new ATOM 0 HB3 LEU A 56 -1.436 3.765 10.492 1.00 53.15 H new ATOM 0 HG LEU A 56 -0.789 6.003 11.046 1.00 43.45 H new ATOM 0 HD11 LEU A 56 1.543 5.660 11.794 1.00 51.20 H new ATOM 0 HD12 LEU A 56 0.541 4.216 12.070 1.00 51.20 H new ATOM 0 HD13 LEU A 56 1.679 4.260 10.703 1.00 51.20 H new ATOM 0 HD21 LEU A 56 1.053 7.183 9.926 1.00 33.52 H new ATOM 0 HD22 LEU A 56 1.181 5.856 8.747 1.00 33.52 H new ATOM 0 HD23 LEU A 56 -0.296 6.847 8.815 1.00 33.52 H new ATOM 969 N LEU A 57 -1.655 1.890 7.835 1.00 64.31 N ATOM 970 CA LEU A 57 -2.383 0.654 7.581 1.00 52.52 C ATOM 971 C LEU A 57 -1.443 -0.440 7.074 1.00 50.51 C ATOM 972 O LEU A 57 -1.582 -1.606 7.438 1.00 63.41 O ATOM 973 CB LEU A 57 -3.528 0.897 6.590 1.00 54.45 C ATOM 974 CG LEU A 57 -4.883 1.227 7.233 1.00 15.10 C ATOM 975 CD1 LEU A 57 -4.818 2.522 8.028 1.00 12.52 C ATOM 976 CD2 LEU A 57 -5.969 1.310 6.172 1.00 72.32 C ATOM 0 H LEU A 57 -1.895 2.657 7.207 1.00 64.31 H new ATOM 0 HA LEU A 57 -2.814 0.313 8.522 1.00 52.52 H new ATOM 0 HB2 LEU A 57 -3.248 1.716 5.928 1.00 54.45 H new ATOM 0 HB3 LEU A 57 -3.644 0.010 5.968 1.00 54.45 H new ATOM 0 HG LEU A 57 -5.129 0.422 7.925 1.00 15.10 H new ATOM 0 HD11 LEU A 57 -5.793 2.727 8.470 1.00 12.52 H new ATOM 0 HD12 LEU A 57 -4.074 2.427 8.819 1.00 12.52 H new ATOM 0 HD13 LEU A 57 -4.540 3.342 7.366 1.00 12.52 H new ATOM 0 HD21 LEU A 57 -6.923 1.545 6.645 1.00 72.32 H new ATOM 0 HD22 LEU A 57 -5.718 2.091 5.455 1.00 72.32 H new ATOM 0 HD23 LEU A 57 -6.046 0.354 5.655 1.00 72.32 H new ATOM 988 N LEU A 58 -0.468 -0.053 6.260 1.00 54.41 N ATOM 989 CA LEU A 58 0.541 -0.990 5.779 1.00 24.32 C ATOM 990 C LEU A 58 1.433 -1.447 6.928 1.00 50.52 C ATOM 991 O LEU A 58 1.858 -2.602 6.986 1.00 23.24 O ATOM 992 CB LEU A 58 1.387 -0.352 4.670 1.00 65.51 C ATOM 993 CG LEU A 58 0.916 -0.624 3.236 1.00 14.51 C ATOM 994 CD1 LEU A 58 1.124 -2.083 2.877 1.00 5.23 C ATOM 995 CD2 LEU A 58 -0.545 -0.245 3.058 1.00 13.25 C ATOM 0 H LEU A 58 -0.354 0.902 5.919 1.00 54.41 H new ATOM 0 HA LEU A 58 0.031 -1.860 5.366 1.00 24.32 H new ATOM 0 HB2 LEU A 58 1.407 0.726 4.828 1.00 65.51 H new ATOM 0 HB3 LEU A 58 2.412 -0.708 4.770 1.00 65.51 H new ATOM 0 HG LEU A 58 1.513 -0.006 2.565 1.00 14.51 H new ATOM 0 HD11 LEU A 58 0.784 -2.259 1.856 1.00 5.23 H new ATOM 0 HD12 LEU A 58 2.183 -2.329 2.955 1.00 5.23 H new ATOM 0 HD13 LEU A 58 0.554 -2.711 3.562 1.00 5.23 H new ATOM 0 HD21 LEU A 58 -0.851 -0.449 2.032 1.00 13.25 H new ATOM 0 HD22 LEU A 58 -1.159 -0.830 3.743 1.00 13.25 H new ATOM 0 HD23 LEU A 58 -0.674 0.816 3.271 1.00 13.25 H new ATOM 1007 N ASP A 59 1.699 -0.538 7.850 1.00 61.01 N ATOM 1008 CA ASP A 59 2.492 -0.846 9.032 1.00 2.44 C ATOM 1009 C ASP A 59 1.775 -1.869 9.909 1.00 34.14 C ATOM 1010 O ASP A 59 2.399 -2.760 10.482 1.00 33.24 O ATOM 1011 CB ASP A 59 2.763 0.433 9.831 1.00 23.31 C ATOM 1012 CG ASP A 59 3.601 0.193 11.069 1.00 22.45 C ATOM 1013 OD1 ASP A 59 3.030 -0.127 12.133 1.00 5.23 O ATOM 1014 OD2 ASP A 59 4.837 0.347 10.992 1.00 12.04 O ATOM 0 H ASP A 59 1.375 0.428 7.803 1.00 61.01 H new ATOM 0 HA ASP A 59 3.442 -1.272 8.709 1.00 2.44 H new ATOM 0 HB2 ASP A 59 3.270 1.154 9.190 1.00 23.31 H new ATOM 0 HB3 ASP A 59 1.813 0.880 10.124 1.00 23.31 H new ATOM 1019 N LYS A 60 0.455 -1.751 9.985 1.00 74.21 N ATOM 1020 CA LYS A 60 -0.352 -2.613 10.835 1.00 32.21 C ATOM 1021 C LYS A 60 -0.451 -4.033 10.287 1.00 4.44 C ATOM 1022 O LYS A 60 -0.546 -4.991 11.054 1.00 50.54 O ATOM 1023 CB LYS A 60 -1.744 -2.012 11.008 1.00 14.42 C ATOM 1024 CG LYS A 60 -1.931 -1.265 12.321 1.00 74.11 C ATOM 1025 CD LYS A 60 -0.944 -0.117 12.475 1.00 43.33 C ATOM 1026 CE LYS A 60 -1.098 0.582 13.819 1.00 15.21 C ATOM 1027 NZ LYS A 60 -2.406 1.279 13.942 1.00 21.44 N ATOM 0 H LYS A 60 -0.082 -1.059 9.462 1.00 74.21 H new ATOM 0 HA LYS A 60 0.141 -2.678 11.805 1.00 32.21 H new ATOM 0 HB2 LYS A 60 -1.940 -1.329 10.181 1.00 14.42 H new ATOM 0 HB3 LYS A 60 -2.484 -2.810 10.946 1.00 14.42 H new ATOM 0 HG2 LYS A 60 -2.948 -0.877 12.375 1.00 74.11 H new ATOM 0 HG3 LYS A 60 -1.811 -1.959 13.152 1.00 74.11 H new ATOM 0 HD2 LYS A 60 0.073 -0.496 12.376 1.00 43.33 H new ATOM 0 HD3 LYS A 60 -1.095 0.603 11.671 1.00 43.33 H new ATOM 0 HE2 LYS A 60 -1.001 -0.150 14.621 1.00 15.21 H new ATOM 0 HE3 LYS A 60 -0.290 1.303 13.947 1.00 15.21 H new ATOM 0 HZ1 LYS A 60 -2.414 1.851 14.811 1.00 21.44 H new ATOM 0 HZ2 LYS A 60 -2.548 1.898 13.119 1.00 21.44 H new ATOM 0 HZ3 LYS A 60 -3.171 0.576 13.983 1.00 21.44 H new ATOM 1041 N ILE A 61 -0.426 -4.177 8.967 1.00 52.40 N ATOM 1042 CA ILE A 61 -0.492 -5.502 8.364 1.00 43.21 C ATOM 1043 C ILE A 61 0.894 -6.138 8.303 1.00 42.44 C ATOM 1044 O ILE A 61 1.025 -7.337 8.055 1.00 43.13 O ATOM 1045 CB ILE A 61 -1.130 -5.486 6.956 1.00 24.13 C ATOM 1046 CG1 ILE A 61 -0.401 -4.513 6.023 1.00 61.11 C ATOM 1047 CG2 ILE A 61 -2.609 -5.132 7.052 1.00 3.52 C ATOM 1048 CD1 ILE A 61 -0.974 -4.469 4.622 1.00 62.41 C ATOM 0 H ILE A 61 -0.362 -3.405 8.303 1.00 52.40 H new ATOM 0 HA ILE A 61 -1.138 -6.102 9.005 1.00 43.21 H new ATOM 0 HB ILE A 61 -1.034 -6.485 6.530 1.00 24.13 H new ATOM 0 HG12 ILE A 61 -0.440 -3.512 6.454 1.00 61.11 H new ATOM 0 HG13 ILE A 61 0.650 -4.795 5.967 1.00 61.11 H new ATOM 0 HG21 ILE A 61 -3.047 -5.124 6.054 1.00 3.52 H new ATOM 0 HG22 ILE A 61 -3.121 -5.872 7.667 1.00 3.52 H new ATOM 0 HG23 ILE A 61 -2.719 -4.146 7.504 1.00 3.52 H new ATOM 0 HD11 ILE A 61 -0.407 -3.759 4.019 1.00 62.41 H new ATOM 0 HD12 ILE A 61 -0.910 -5.460 4.172 1.00 62.41 H new ATOM 0 HD13 ILE A 61 -2.017 -4.157 4.665 1.00 62.41 H new ATOM 1060 N GLY A 62 1.924 -5.331 8.535 1.00 40.54 N ATOM 1061 CA GLY A 62 3.272 -5.859 8.637 1.00 52.22 C ATOM 1062 C GLY A 62 4.090 -5.679 7.373 1.00 5.15 C ATOM 1063 O GLY A 62 4.915 -6.532 7.035 1.00 72.53 O ATOM 0 H GLY A 62 1.849 -4.321 8.654 1.00 40.54 H new ATOM 0 HA2 GLY A 62 3.784 -5.368 9.465 1.00 52.22 H new ATOM 0 HA3 GLY A 62 3.220 -6.921 8.879 1.00 52.22 H new ATOM 1067 N PHE A 63 3.873 -4.574 6.676 1.00 40.21 N ATOM 1068 CA PHE A 63 4.631 -4.268 5.469 1.00 13.23 C ATOM 1069 C PHE A 63 6.038 -3.821 5.830 1.00 52.33 C ATOM 1070 O PHE A 63 6.224 -2.909 6.633 1.00 53.34 O ATOM 1071 CB PHE A 63 3.917 -3.183 4.659 1.00 54.33 C ATOM 1072 CG PHE A 63 4.587 -2.836 3.358 1.00 25.41 C ATOM 1073 CD1 PHE A 63 4.376 -3.609 2.229 1.00 21.21 C ATOM 1074 CD2 PHE A 63 5.415 -1.730 3.263 1.00 43.41 C ATOM 1075 CE1 PHE A 63 4.980 -3.285 1.029 1.00 73.10 C ATOM 1076 CE2 PHE A 63 6.023 -1.402 2.066 1.00 40.24 C ATOM 1077 CZ PHE A 63 5.805 -2.182 0.947 1.00 52.52 C ATOM 0 H PHE A 63 3.177 -3.872 6.925 1.00 40.21 H new ATOM 0 HA PHE A 63 4.700 -5.169 4.860 1.00 13.23 H new ATOM 0 HB2 PHE A 63 2.899 -3.512 4.453 1.00 54.33 H new ATOM 0 HB3 PHE A 63 3.844 -2.282 5.268 1.00 54.33 H new ATOM 0 HD1 PHE A 63 3.733 -4.474 2.287 1.00 21.21 H new ATOM 0 HD2 PHE A 63 5.588 -1.116 4.135 1.00 43.41 H new ATOM 0 HE1 PHE A 63 4.806 -3.895 0.155 1.00 73.10 H new ATOM 0 HE2 PHE A 63 6.667 -0.537 2.006 1.00 40.24 H new ATOM 0 HZ PHE A 63 6.279 -1.929 0.010 1.00 52.52 H new ATOM 1087 N VAL A 64 7.022 -4.477 5.238 1.00 33.12 N ATOM 1088 CA VAL A 64 8.411 -4.185 5.520 1.00 63.13 C ATOM 1089 C VAL A 64 8.929 -3.079 4.599 1.00 42.22 C ATOM 1090 O VAL A 64 8.683 -3.089 3.389 1.00 50.41 O ATOM 1091 CB VAL A 64 9.271 -5.464 5.384 1.00 3.41 C ATOM 1092 CG1 VAL A 64 9.237 -6.010 3.961 1.00 0.03 C ATOM 1093 CG2 VAL A 64 10.699 -5.204 5.832 1.00 10.12 C ATOM 0 H VAL A 64 6.879 -5.220 4.554 1.00 33.12 H new ATOM 0 HA VAL A 64 8.487 -3.830 6.548 1.00 63.13 H new ATOM 0 HB VAL A 64 8.841 -6.223 6.038 1.00 3.41 H new ATOM 0 HG11 VAL A 64 9.852 -6.908 3.901 1.00 0.03 H new ATOM 0 HG12 VAL A 64 8.210 -6.254 3.689 1.00 0.03 H new ATOM 0 HG13 VAL A 64 9.625 -5.258 3.274 1.00 0.03 H new ATOM 0 HG21 VAL A 64 11.285 -6.117 5.728 1.00 10.12 H new ATOM 0 HG22 VAL A 64 11.137 -4.419 5.215 1.00 10.12 H new ATOM 0 HG23 VAL A 64 10.701 -4.889 6.875 1.00 10.12 H new ATOM 1103 N TRP A 65 9.626 -2.116 5.185 1.00 73.23 N ATOM 1104 CA TRP A 65 10.115 -0.958 4.449 1.00 71.34 C ATOM 1105 C TRP A 65 11.608 -1.086 4.155 1.00 35.41 C ATOM 1106 O TRP A 65 12.352 -0.105 4.203 1.00 41.12 O ATOM 1107 CB TRP A 65 9.856 0.313 5.258 1.00 44.00 C ATOM 1108 CG TRP A 65 8.410 0.529 5.597 1.00 23.23 C ATOM 1109 CD1 TRP A 65 7.768 0.136 6.736 1.00 22.43 C ATOM 1110 CD2 TRP A 65 7.428 1.188 4.792 1.00 75.23 C ATOM 1111 NE1 TRP A 65 6.447 0.508 6.686 1.00 54.53 N ATOM 1112 CE2 TRP A 65 6.214 1.155 5.503 1.00 73.52 C ATOM 1113 CE3 TRP A 65 7.457 1.806 3.538 1.00 30.11 C ATOM 1114 CZ2 TRP A 65 5.042 1.712 5.001 1.00 12.32 C ATOM 1115 CZ3 TRP A 65 6.294 2.360 3.042 1.00 51.51 C ATOM 1116 CH2 TRP A 65 5.100 2.309 3.771 1.00 22.32 C ATOM 0 H TRP A 65 9.867 -2.114 6.176 1.00 73.23 H new ATOM 0 HA TRP A 65 9.582 -0.905 3.500 1.00 71.34 H new ATOM 0 HB2 TRP A 65 10.434 0.269 6.181 1.00 44.00 H new ATOM 0 HB3 TRP A 65 10.220 1.172 4.695 1.00 44.00 H new ATOM 0 HD1 TRP A 65 8.232 -0.391 7.557 1.00 22.43 H new ATOM 0 HE1 TRP A 65 5.753 0.331 7.412 1.00 54.53 H new ATOM 0 HE3 TRP A 65 8.373 1.849 2.968 1.00 30.11 H new ATOM 0 HZ2 TRP A 65 4.120 1.675 5.562 1.00 12.32 H new ATOM 0 HZ3 TRP A 65 6.305 2.841 2.075 1.00 51.51 H new ATOM 0 HH2 TRP A 65 4.206 2.750 3.354 1.00 22.32 H new ATOM 1127 N SER A 66 12.038 -2.297 3.846 1.00 4.13 N ATOM 1128 CA SER A 66 13.433 -2.555 3.526 1.00 11.31 C ATOM 1129 C SER A 66 13.708 -2.318 2.042 1.00 42.12 C ATOM 1130 O SER A 66 13.241 -3.070 1.186 1.00 54.41 O ATOM 1131 CB SER A 66 13.789 -3.993 3.908 1.00 21.23 C ATOM 1132 OG SER A 66 12.884 -4.912 3.317 1.00 13.32 O ATOM 0 H SER A 66 11.439 -3.121 3.810 1.00 4.13 H new ATOM 0 HA SER A 66 14.054 -1.864 4.096 1.00 11.31 H new ATOM 0 HB2 SER A 66 14.805 -4.218 3.585 1.00 21.23 H new ATOM 0 HB3 SER A 66 13.768 -4.102 4.992 1.00 21.23 H new ATOM 0 HG SER A 66 12.667 -4.619 2.407 1.00 13.32 H new ATOM 1138 N LEU A 67 14.455 -1.266 1.736 1.00 13.41 N ATOM 1139 CA LEU A 67 14.803 -0.957 0.357 1.00 43.25 C ATOM 1140 C LEU A 67 16.141 -1.586 -0.010 1.00 71.34 C ATOM 1141 O LEU A 67 17.198 -1.084 0.369 1.00 1.13 O ATOM 1142 CB LEU A 67 14.863 0.561 0.117 1.00 51.32 C ATOM 1143 CG LEU A 67 13.515 1.284 0.001 1.00 34.45 C ATOM 1144 CD1 LEU A 67 12.804 1.349 1.345 1.00 51.22 C ATOM 1145 CD2 LEU A 67 13.720 2.681 -0.566 1.00 72.14 C ATOM 0 H LEU A 67 14.831 -0.613 2.424 1.00 13.41 H new ATOM 0 HA LEU A 67 14.021 -1.374 -0.278 1.00 43.25 H new ATOM 0 HB2 LEU A 67 15.425 1.015 0.933 1.00 51.32 H new ATOM 0 HB3 LEU A 67 15.428 0.741 -0.798 1.00 51.32 H new ATOM 0 HG LEU A 67 12.881 0.716 -0.679 1.00 34.45 H new ATOM 0 HD11 LEU A 67 11.852 1.867 1.228 1.00 51.22 H new ATOM 0 HD12 LEU A 67 12.624 0.338 1.711 1.00 51.22 H new ATOM 0 HD13 LEU A 67 13.426 1.888 2.060 1.00 51.22 H new ATOM 0 HD21 LEU A 67 12.758 3.187 -0.645 1.00 72.14 H new ATOM 0 HD22 LEU A 67 14.375 3.249 0.094 1.00 72.14 H new ATOM 0 HD23 LEU A 67 14.174 2.610 -1.554 1.00 72.14 H new ATOM 1157 N GLU A 68 16.088 -2.696 -0.729 1.00 5.30 N ATOM 1158 CA GLU A 68 17.298 -3.346 -1.209 1.00 1.10 C ATOM 1159 C GLU A 68 17.578 -2.910 -2.646 1.00 4.41 C ATOM 1160 O GLU A 68 18.729 -2.842 -3.079 1.00 2.22 O ATOM 1161 CB GLU A 68 17.175 -4.875 -1.123 1.00 51.23 C ATOM 1162 CG GLU A 68 16.241 -5.497 -2.155 1.00 23.14 C ATOM 1163 CD GLU A 68 14.781 -5.172 -1.924 1.00 70.12 C ATOM 1164 OE1 GLU A 68 14.313 -4.110 -2.401 1.00 11.13 O ATOM 1165 OE2 GLU A 68 14.087 -5.984 -1.292 1.00 4.40 O ATOM 0 H GLU A 68 15.222 -3.165 -0.993 1.00 5.30 H new ATOM 0 HA GLU A 68 18.131 -3.045 -0.574 1.00 1.10 H new ATOM 0 HB2 GLU A 68 18.166 -5.313 -1.239 1.00 51.23 H new ATOM 0 HB3 GLU A 68 16.823 -5.142 -0.127 1.00 51.23 H new ATOM 0 HG2 GLU A 68 16.529 -5.152 -3.148 1.00 23.14 H new ATOM 0 HG3 GLU A 68 16.370 -6.579 -2.144 1.00 23.14 H new ATOM 1172 N HIS A 69 16.511 -2.612 -3.376 1.00 4.14 N ATOM 1173 CA HIS A 69 16.623 -2.136 -4.746 1.00 33.15 C ATOM 1174 C HIS A 69 16.957 -0.650 -4.766 1.00 34.30 C ATOM 1175 O HIS A 69 16.106 0.194 -4.485 1.00 64.11 O ATOM 1176 CB HIS A 69 15.323 -2.386 -5.521 1.00 74.44 C ATOM 1177 CG HIS A 69 15.078 -3.823 -5.863 1.00 24.44 C ATOM 1178 ND1 HIS A 69 14.475 -4.708 -5.000 1.00 21.40 N ATOM 1179 CD2 HIS A 69 15.344 -4.526 -6.990 1.00 73.23 C ATOM 1180 CE1 HIS A 69 14.378 -5.890 -5.577 1.00 45.52 C ATOM 1181 NE2 HIS A 69 14.897 -5.809 -6.786 1.00 32.41 N ATOM 0 H HIS A 69 15.552 -2.693 -3.038 1.00 4.14 H new ATOM 0 HA HIS A 69 17.428 -2.690 -5.229 1.00 33.15 H new ATOM 0 HB2 HIS A 69 14.485 -2.017 -4.930 1.00 74.44 H new ATOM 0 HB3 HIS A 69 15.345 -1.804 -6.442 1.00 74.44 H new ATOM 0 HD1 HIS A 69 14.152 -4.485 -4.059 1.00 21.40 H new ATOM 0 HD2 HIS A 69 15.819 -4.148 -7.883 1.00 73.23 H new ATOM 0 HE1 HIS A 69 13.946 -6.775 -5.134 1.00 45.52 H new ATOM 1190 N HIS A 70 18.203 -0.342 -5.078 1.00 71.01 N ATOM 1191 CA HIS A 70 18.649 1.038 -5.175 1.00 33.31 C ATOM 1192 C HIS A 70 18.922 1.384 -6.632 1.00 71.22 C ATOM 1193 O HIS A 70 18.552 0.628 -7.534 1.00 72.43 O ATOM 1194 CB HIS A 70 19.906 1.262 -4.330 1.00 33.00 C ATOM 1195 CG HIS A 70 19.705 0.991 -2.870 1.00 73.41 C ATOM 1196 ND1 HIS A 70 18.994 1.830 -2.037 1.00 24.14 N ATOM 1197 CD2 HIS A 70 20.124 -0.038 -2.092 1.00 54.31 C ATOM 1198 CE1 HIS A 70 18.988 1.329 -0.815 1.00 42.15 C ATOM 1199 NE2 HIS A 70 19.662 0.199 -0.825 1.00 4.23 N ATOM 0 H HIS A 70 18.929 -1.033 -5.270 1.00 71.01 H new ATOM 0 HA HIS A 70 17.864 1.690 -4.792 1.00 33.31 H new ATOM 0 HB2 HIS A 70 20.704 0.620 -4.703 1.00 33.00 H new ATOM 0 HB3 HIS A 70 20.240 2.292 -4.457 1.00 33.00 H new ATOM 0 HD2 HIS A 70 20.712 -0.886 -2.412 1.00 54.31 H new ATOM 0 HE1 HIS A 70 18.511 1.772 0.047 1.00 42.15 H new ATOM 0 HE2 HIS A 70 19.816 -0.405 -0.017 1.00 4.23 H new ATOM 1208 N HIS A 71 19.561 2.514 -6.871 1.00 11.13 N ATOM 1209 CA HIS A 71 19.855 2.932 -8.230 1.00 52.24 C ATOM 1210 C HIS A 71 21.302 3.363 -8.379 1.00 50.40 C ATOM 1211 O HIS A 71 21.743 4.327 -7.753 1.00 44.24 O ATOM 1212 CB HIS A 71 18.940 4.078 -8.669 1.00 21.13 C ATOM 1213 CG HIS A 71 17.521 3.667 -8.895 1.00 24.03 C ATOM 1214 ND1 HIS A 71 17.148 2.758 -9.858 1.00 63.23 N ATOM 1215 CD2 HIS A 71 16.381 4.046 -8.277 1.00 11.41 C ATOM 1216 CE1 HIS A 71 15.842 2.600 -9.822 1.00 14.23 C ATOM 1217 NE2 HIS A 71 15.347 3.370 -8.872 1.00 21.31 N ATOM 0 H HIS A 71 19.885 3.156 -6.147 1.00 11.13 H new ATOM 0 HA HIS A 71 19.677 2.068 -8.870 1.00 52.24 H new ATOM 0 HB2 HIS A 71 18.965 4.861 -7.911 1.00 21.13 H new ATOM 0 HB3 HIS A 71 19.333 4.512 -9.588 1.00 21.13 H new ATOM 0 HD2 HIS A 71 16.299 4.752 -7.464 1.00 11.41 H new ATOM 0 HE1 HIS A 71 15.270 1.947 -10.464 1.00 14.23 H new ATOM 0 HE2 HIS A 71 14.361 3.449 -8.622 1.00 21.31 H new ATOM 1226 N HIS A 72 22.038 2.631 -9.193 1.00 24.24 N ATOM 1227 CA HIS A 72 23.348 3.070 -9.633 1.00 13.12 C ATOM 1228 C HIS A 72 23.199 3.758 -10.974 1.00 50.00 C ATOM 1229 O HIS A 72 22.591 3.207 -11.893 1.00 22.03 O ATOM 1230 CB HIS A 72 24.333 1.902 -9.735 1.00 31.02 C ATOM 1231 CG HIS A 72 25.028 1.600 -8.449 1.00 3.02 C ATOM 1232 ND1 HIS A 72 24.856 0.426 -7.746 1.00 30.33 N ATOM 1233 CD2 HIS A 72 25.910 2.336 -7.738 1.00 30.22 C ATOM 1234 CE1 HIS A 72 25.600 0.459 -6.657 1.00 23.41 C ATOM 1235 NE2 HIS A 72 26.248 1.606 -6.629 1.00 65.23 N ATOM 0 H HIS A 72 21.749 1.726 -9.564 1.00 24.24 H new ATOM 0 HA HIS A 72 23.755 3.764 -8.897 1.00 13.12 H new ATOM 0 HB2 HIS A 72 23.798 1.013 -10.068 1.00 31.02 H new ATOM 0 HB3 HIS A 72 25.078 2.130 -10.497 1.00 31.02 H new ATOM 0 HD2 HIS A 72 26.280 3.317 -7.996 1.00 30.22 H new ATOM 0 HE1 HIS A 72 25.667 -0.322 -5.914 1.00 23.41 H new ATOM 0 HE2 HIS A 72 26.896 1.902 -5.900 1.00 65.23 H new ATOM 1244 N HIS A 73 23.731 4.964 -11.081 1.00 34.24 N ATOM 1245 CA HIS A 73 23.531 5.772 -12.271 1.00 65.25 C ATOM 1246 C HIS A 73 24.266 5.171 -13.454 1.00 54.03 C ATOM 1247 O HIS A 73 25.471 4.938 -13.394 1.00 32.23 O ATOM 1248 CB HIS A 73 24.009 7.208 -12.048 1.00 62.13 C ATOM 1249 CG HIS A 73 23.607 8.141 -13.151 1.00 63.12 C ATOM 1250 ND1 HIS A 73 24.189 8.132 -14.401 1.00 31.42 N ATOM 1251 CD2 HIS A 73 22.651 9.097 -13.191 1.00 4.12 C ATOM 1252 CE1 HIS A 73 23.610 9.042 -15.158 1.00 74.43 C ATOM 1253 NE2 HIS A 73 22.674 9.643 -14.451 1.00 25.43 N ATOM 0 H HIS A 73 24.303 5.404 -10.360 1.00 34.24 H new ATOM 0 HA HIS A 73 22.462 5.788 -12.483 1.00 65.25 H new ATOM 0 HB2 HIS A 73 23.606 7.576 -11.104 1.00 62.13 H new ATOM 0 HB3 HIS A 73 25.095 7.212 -11.954 1.00 62.13 H new ATOM 0 HD1 HIS A 73 24.949 7.517 -14.694 1.00 31.42 H new ATOM 0 HD2 HIS A 73 21.992 9.379 -12.383 1.00 4.12 H new ATOM 0 HE1 HIS A 73 23.861 9.259 -16.186 1.00 74.43 H new ATOM 1262 N HIS A 74 23.531 4.911 -14.516 1.00 42.11 N ATOM 1263 CA HIS A 74 24.128 4.439 -15.750 1.00 53.52 C ATOM 1264 C HIS A 74 24.493 5.632 -16.616 1.00 65.34 C ATOM 1265 O HIS A 74 23.765 5.912 -17.590 1.00 38.08 O ATOM 1266 CB HIS A 74 23.164 3.515 -16.497 1.00 33.40 C ATOM 1267 CG HIS A 74 22.819 2.265 -15.743 1.00 10.23 C ATOM 1268 ND1 HIS A 74 21.875 2.230 -14.741 1.00 14.14 N ATOM 1269 CD2 HIS A 74 23.299 1.004 -15.844 1.00 60.13 C ATOM 1270 CE1 HIS A 74 21.789 1.007 -14.259 1.00 33.22 C ATOM 1271 NE2 HIS A 74 22.642 0.240 -14.910 1.00 74.10 N ATOM 1272 OXT HIS A 74 25.472 6.330 -16.276 1.00 38.08 O ATOM 0 H HIS A 74 22.517 5.019 -14.550 1.00 42.11 H new ATOM 0 HA HIS A 74 25.028 3.870 -15.517 1.00 53.52 H new ATOM 0 HB2 HIS A 74 22.247 4.062 -16.715 1.00 33.40 H new ATOM 0 HB3 HIS A 74 23.607 3.240 -17.454 1.00 33.40 H new ATOM 0 HD2 HIS A 74 24.058 0.661 -16.532 1.00 60.13 H new ATOM 0 HE1 HIS A 74 21.131 0.686 -13.465 1.00 33.22 H new ATOM 0 HE2 HIS A 74 22.790 -0.756 -14.747 1.00 74.10 H new TER 1281 HIS A 74