USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 639 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.107 (180deg=-0.111) USER MOD Single : A 3 GLN : amide:sc= -3.23! X(o=-3.2!,f=-3.1) USER MOD Single : A 7 ASN :FLIP amide:sc= -3.3! C(o=-4.8!,f=-3.3!) USER MOD Single : A 11 MET CE :methyl 139:sc= -0.634 (180deg=-2.17) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 131:sc= -0.722 (180deg=-1.34) USER MOD Single : A 20 THR OG1 : rot -65:sc= 1.18 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.91 F(o=-1.9,f=-0.91) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.282 K(o=-0.28,f=-4.1!) USER MOD Single : A 40 HIS : no HD1:sc= -0.734 K(o=-0.73,f=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.222 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.558 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 165:sc= -0.0574 USER MOD Single : A 59 ASN : amide:sc= -0.424 K(o=-0.42,f=-3!) USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= 0.791 (180deg=-0.247) USER MOD Single : A 70 SER OG : rot -94:sc= 1.02 USER MOD Single : A 73 HIS : no HD1:sc= -0.887 X(o=-0.89,f=-0.4) USER MOD Single : A 74 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 75 HIS : no HE2:sc= 0.128 K(o=0.13,f=-1.3) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc=-0.00253 X(o=-0.0025,f=-0.0026) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.576 -11.758 -5.792 1.00 74.24 N ATOM 2 CA MET A 1 -2.656 -10.738 -6.369 1.00 34.51 C ATOM 3 C MET A 1 -1.244 -10.821 -5.765 1.00 53.01 C ATOM 4 O MET A 1 -0.313 -10.186 -6.266 1.00 51.45 O ATOM 5 CB MET A 1 -3.218 -9.325 -6.155 1.00 33.21 C ATOM 6 CG MET A 1 -3.352 -8.920 -4.691 1.00 4.32 C ATOM 7 SD MET A 1 -3.917 -7.219 -4.496 1.00 32.42 S ATOM 8 CE MET A 1 -3.973 -7.071 -2.709 1.00 25.24 C ATOM 0 H1 MET A 1 -4.520 -11.654 -6.216 1.00 74.24 H new ATOM 0 H2 MET A 1 -3.209 -12.710 -5.994 1.00 74.24 H new ATOM 0 H3 MET A 1 -3.642 -11.623 -4.763 1.00 74.24 H new ATOM 0 HA MET A 1 -2.580 -10.949 -7.436 1.00 34.51 H new ATOM 0 HB2 MET A 1 -2.571 -8.608 -6.661 1.00 33.21 H new ATOM 0 HB3 MET A 1 -4.197 -9.260 -6.629 1.00 33.21 H new ATOM 0 HG2 MET A 1 -4.052 -9.592 -4.194 1.00 4.32 H new ATOM 0 HG3 MET A 1 -2.389 -9.039 -4.195 1.00 4.32 H new ATOM 0 HE1 MET A 1 -4.306 -6.069 -2.437 1.00 25.24 H new ATOM 0 HE2 MET A 1 -4.668 -7.807 -2.305 1.00 25.24 H new ATOM 0 HE3 MET A 1 -2.979 -7.247 -2.298 1.00 25.24 H new ATOM 20 N ALA A 2 -1.087 -11.590 -4.687 1.00 12.52 N ATOM 21 CA ALA A 2 0.209 -11.717 -4.007 1.00 32.32 C ATOM 22 C ALA A 2 0.279 -12.992 -3.153 1.00 34.12 C ATOM 23 O ALA A 2 -0.693 -13.366 -2.493 1.00 44.34 O ATOM 24 CB ALA A 2 0.473 -10.491 -3.137 1.00 74.14 C ATOM 0 H ALA A 2 -1.838 -12.135 -4.264 1.00 12.52 H new ATOM 0 HA ALA A 2 0.979 -11.786 -4.776 1.00 32.32 H new ATOM 0 HB1 ALA A 2 1.437 -10.599 -2.639 1.00 74.14 H new ATOM 0 HB2 ALA A 2 0.485 -9.598 -3.761 1.00 74.14 H new ATOM 0 HB3 ALA A 2 -0.314 -10.400 -2.388 1.00 74.14 H new ATOM 30 N GLN A 3 1.434 -13.650 -3.169 1.00 43.42 N ATOM 31 CA GLN A 3 1.651 -14.862 -2.375 1.00 54.01 C ATOM 32 C GLN A 3 2.076 -14.500 -0.944 1.00 64.51 C ATOM 33 O GLN A 3 3.218 -14.114 -0.699 1.00 22.13 O ATOM 34 CB GLN A 3 2.706 -15.750 -3.063 1.00 41.11 C ATOM 35 CG GLN A 3 2.938 -17.120 -2.411 1.00 3.11 C ATOM 36 CD GLN A 3 3.927 -17.091 -1.252 1.00 0.24 C ATOM 37 OE1 GLN A 3 4.850 -16.286 -1.221 1.00 53.23 O ATOM 38 NE2 GLN A 3 3.747 -17.972 -0.290 1.00 34.22 N ATOM 0 H GLN A 3 2.240 -13.365 -3.725 1.00 43.42 H new ATOM 0 HA GLN A 3 0.717 -15.421 -2.310 1.00 54.01 H new ATOM 0 HB2 GLN A 3 2.406 -15.906 -4.099 1.00 41.11 H new ATOM 0 HB3 GLN A 3 3.653 -15.211 -3.083 1.00 41.11 H new ATOM 0 HG2 GLN A 3 1.984 -17.507 -2.053 1.00 3.11 H new ATOM 0 HG3 GLN A 3 3.300 -17.815 -3.168 1.00 3.11 H new ATOM 0 HE21 GLN A 3 2.970 -18.631 -0.341 1.00 34.22 H new ATOM 0 HE22 GLN A 3 4.384 -17.995 0.506 1.00 34.22 H new ATOM 47 N ILE A 4 1.139 -14.595 -0.003 1.00 22.34 N ATOM 48 CA ILE A 4 1.423 -14.299 1.408 1.00 71.14 C ATOM 49 C ILE A 4 1.320 -15.570 2.272 1.00 41.21 C ATOM 50 O ILE A 4 0.394 -15.735 3.074 1.00 55.11 O ATOM 51 CB ILE A 4 0.473 -13.200 1.965 1.00 72.13 C ATOM 52 CG1 ILE A 4 0.491 -11.956 1.054 1.00 2.31 C ATOM 53 CG2 ILE A 4 0.865 -12.819 3.397 1.00 2.53 C ATOM 54 CD1 ILE A 4 1.848 -11.282 0.948 1.00 24.43 C ATOM 0 H ILE A 4 0.175 -14.874 -0.187 1.00 22.34 H new ATOM 0 HA ILE A 4 2.445 -13.923 1.456 1.00 71.14 H new ATOM 0 HB ILE A 4 -0.540 -13.602 1.982 1.00 72.13 H new ATOM 0 HG12 ILE A 4 0.163 -12.246 0.056 1.00 2.31 H new ATOM 0 HG13 ILE A 4 -0.233 -11.233 1.430 1.00 2.31 H new ATOM 0 HG21 ILE A 4 0.188 -12.049 3.767 1.00 2.53 H new ATOM 0 HG22 ILE A 4 0.800 -13.698 4.038 1.00 2.53 H new ATOM 0 HG23 ILE A 4 1.886 -12.438 3.406 1.00 2.53 H new ATOM 0 HD11 ILE A 4 1.774 -10.417 0.289 1.00 24.43 H new ATOM 0 HD12 ILE A 4 2.172 -10.958 1.937 1.00 24.43 H new ATOM 0 HD13 ILE A 4 2.573 -11.987 0.541 1.00 24.43 H new ATOM 66 N ILE A 5 2.258 -16.492 2.062 1.00 53.13 N ATOM 67 CA ILE A 5 2.325 -17.736 2.842 1.00 51.31 C ATOM 68 C ILE A 5 3.762 -17.998 3.327 1.00 0.23 C ATOM 69 O ILE A 5 4.674 -18.201 2.516 1.00 51.23 O ATOM 70 CB ILE A 5 1.843 -18.981 2.033 1.00 40.21 C ATOM 71 CG1 ILE A 5 0.369 -18.849 1.587 1.00 12.53 C ATOM 72 CG2 ILE A 5 2.033 -20.259 2.852 1.00 22.44 C ATOM 73 CD1 ILE A 5 0.166 -18.008 0.342 1.00 54.12 C ATOM 0 H ILE A 5 2.988 -16.404 1.355 1.00 53.13 H new ATOM 0 HA ILE A 5 1.655 -17.596 3.690 1.00 51.31 H new ATOM 0 HB ILE A 5 2.455 -19.037 1.133 1.00 40.21 H new ATOM 0 HG12 ILE A 5 -0.035 -19.846 1.408 1.00 12.53 H new ATOM 0 HG13 ILE A 5 -0.208 -18.414 2.403 1.00 12.53 H new ATOM 0 HG21 ILE A 5 1.692 -21.117 2.272 1.00 22.44 H new ATOM 0 HG22 ILE A 5 3.088 -20.382 3.095 1.00 22.44 H new ATOM 0 HG23 ILE A 5 1.454 -20.190 3.773 1.00 22.44 H new ATOM 0 HD11 ILE A 5 -0.896 -17.968 0.099 1.00 54.12 H new ATOM 0 HD12 ILE A 5 0.536 -16.998 0.521 1.00 54.12 H new ATOM 0 HD13 ILE A 5 0.712 -18.453 -0.490 1.00 54.12 H new ATOM 85 N PHE A 6 3.956 -17.982 4.647 1.00 14.22 N ATOM 86 CA PHE A 6 5.261 -18.281 5.252 1.00 21.52 C ATOM 87 C PHE A 6 5.138 -18.470 6.773 1.00 32.30 C ATOM 88 O PHE A 6 4.261 -17.884 7.412 1.00 22.53 O ATOM 89 CB PHE A 6 6.266 -17.159 4.946 1.00 12.10 C ATOM 90 CG PHE A 6 7.666 -17.444 5.438 1.00 25.44 C ATOM 91 CD1 PHE A 6 8.484 -18.334 4.758 1.00 24.22 C ATOM 92 CD2 PHE A 6 8.162 -16.823 6.578 1.00 61.14 C ATOM 93 CE1 PHE A 6 9.766 -18.599 5.203 1.00 43.24 C ATOM 94 CE2 PHE A 6 9.443 -17.086 7.027 1.00 31.43 C ATOM 95 CZ PHE A 6 10.244 -17.975 6.339 1.00 12.20 C ATOM 0 H PHE A 6 3.224 -17.764 5.323 1.00 14.22 H new ATOM 0 HA PHE A 6 5.622 -19.213 4.817 1.00 21.52 H new ATOM 0 HB2 PHE A 6 6.296 -16.994 3.869 1.00 12.10 H new ATOM 0 HB3 PHE A 6 5.913 -16.233 5.400 1.00 12.10 H new ATOM 0 HD1 PHE A 6 8.115 -18.826 3.870 1.00 24.22 H new ATOM 0 HD2 PHE A 6 7.539 -16.127 7.120 1.00 61.14 H new ATOM 0 HE1 PHE A 6 10.393 -19.293 4.663 1.00 43.24 H new ATOM 0 HE2 PHE A 6 9.816 -16.597 7.915 1.00 31.43 H new ATOM 0 HZ PHE A 6 11.244 -18.183 6.689 1.00 12.20 H new ATOM 105 N ASN A 7 6.013 -19.301 7.339 1.00 24.13 N ATOM 106 CA ASN A 7 6.058 -19.519 8.793 1.00 32.43 C ATOM 107 C ASN A 7 7.396 -20.158 9.222 1.00 70.25 C ATOM 108 O ASN A 7 8.095 -20.772 8.412 1.00 71.14 O ATOM 109 CB ASN A 7 4.880 -20.399 9.235 1.00 25.20 C ATOM 110 CG ASN A 7 4.768 -20.531 10.746 1.00 31.43 C ATOM 111 OD1 ASN A 7 5.077 -19.471 11.470 1.00 61.14 O flip ATOM 112 ND2 ASN A 7 4.388 -21.572 11.261 1.00 22.13 N flip ATOM 0 H ASN A 7 6.704 -19.838 6.815 1.00 24.13 H new ATOM 0 HA ASN A 7 5.978 -18.548 9.282 1.00 32.43 H new ATOM 0 HB2 ASN A 7 3.954 -19.979 8.843 1.00 25.20 H new ATOM 0 HB3 ASN A 7 4.991 -21.391 8.797 1.00 25.20 H new ATOM 0 HD21 ASN A 7 4.156 -22.375 10.677 1.00 22.13 H new ATOM 0 HD22 ASN A 7 4.303 -21.638 12.275 1.00 22.13 H new ATOM 119 N GLU A 8 7.740 -20.019 10.503 1.00 42.41 N ATOM 120 CA GLU A 8 9.033 -20.486 11.024 1.00 2.55 C ATOM 121 C GLU A 8 8.896 -21.205 12.382 1.00 15.25 C ATOM 122 O GLU A 8 9.837 -21.232 13.176 1.00 40.01 O ATOM 123 CB GLU A 8 10.001 -19.293 11.159 1.00 1.31 C ATOM 124 CG GLU A 8 9.497 -18.167 12.068 1.00 12.05 C ATOM 125 CD GLU A 8 8.333 -17.387 11.469 1.00 42.12 C ATOM 126 OE1 GLU A 8 8.580 -16.491 10.635 1.00 61.11 O ATOM 127 OE2 GLU A 8 7.168 -17.670 11.825 1.00 23.23 O ATOM 0 H GLU A 8 7.140 -19.585 11.205 1.00 42.41 H new ATOM 0 HA GLU A 8 9.428 -21.211 10.312 1.00 2.55 H new ATOM 0 HB2 GLU A 8 10.954 -19.656 11.545 1.00 1.31 H new ATOM 0 HB3 GLU A 8 10.194 -18.884 10.167 1.00 1.31 H new ATOM 0 HG2 GLU A 8 9.188 -18.591 13.024 1.00 12.05 H new ATOM 0 HG3 GLU A 8 10.318 -17.480 12.274 1.00 12.05 H new ATOM 134 N GLU A 9 7.738 -21.810 12.637 1.00 44.54 N ATOM 135 CA GLU A 9 7.512 -22.540 13.894 1.00 30.21 C ATOM 136 C GLU A 9 8.265 -23.888 13.923 1.00 12.43 C ATOM 137 O GLU A 9 7.817 -24.876 13.338 1.00 41.00 O ATOM 138 CB GLU A 9 6.010 -22.785 14.111 1.00 34.11 C ATOM 139 CG GLU A 9 5.178 -21.516 14.287 1.00 34.40 C ATOM 140 CD GLU A 9 5.487 -20.773 15.578 1.00 64.25 C ATOM 141 OE1 GLU A 9 5.044 -21.233 16.650 1.00 62.40 O ATOM 142 OE2 GLU A 9 6.155 -19.716 15.524 1.00 64.13 O ATOM 0 H GLU A 9 6.943 -21.813 11.998 1.00 44.54 H new ATOM 0 HA GLU A 9 7.902 -21.918 14.700 1.00 30.21 H new ATOM 0 HB2 GLU A 9 5.620 -23.345 13.261 1.00 34.11 H new ATOM 0 HB3 GLU A 9 5.881 -23.413 14.992 1.00 34.11 H new ATOM 0 HG2 GLU A 9 5.356 -20.852 13.441 1.00 34.40 H new ATOM 0 HG3 GLU A 9 4.120 -21.777 14.270 1.00 34.40 H new ATOM 149 N TRP A 10 9.420 -23.912 14.584 1.00 52.43 N ATOM 150 CA TRP A 10 10.169 -25.162 14.806 1.00 32.22 C ATOM 151 C TRP A 10 9.767 -25.801 16.147 1.00 52.41 C ATOM 152 O TRP A 10 9.657 -25.109 17.160 1.00 42.32 O ATOM 153 CB TRP A 10 11.684 -24.894 14.791 1.00 61.00 C ATOM 154 CG TRP A 10 12.215 -24.466 13.450 1.00 45.21 C ATOM 155 CD1 TRP A 10 12.063 -23.246 12.857 1.00 20.33 C ATOM 156 CD2 TRP A 10 12.997 -25.255 12.544 1.00 64.33 C ATOM 157 NE1 TRP A 10 12.692 -23.230 11.638 1.00 71.43 N ATOM 158 CE2 TRP A 10 13.275 -24.451 11.422 1.00 74.05 C ATOM 159 CE3 TRP A 10 13.489 -26.564 12.574 1.00 64.31 C ATOM 160 CZ2 TRP A 10 14.022 -24.914 10.342 1.00 25.14 C ATOM 161 CZ3 TRP A 10 14.229 -27.022 11.501 1.00 50.41 C ATOM 162 CH2 TRP A 10 14.490 -26.198 10.397 1.00 22.43 C ATOM 0 H TRP A 10 9.864 -23.083 14.978 1.00 52.43 H new ATOM 0 HA TRP A 10 9.924 -25.852 13.998 1.00 32.22 H new ATOM 0 HB2 TRP A 10 11.913 -24.121 15.525 1.00 61.00 H new ATOM 0 HB3 TRP A 10 12.206 -25.798 15.106 1.00 61.00 H new ATOM 0 HD1 TRP A 10 11.525 -22.413 13.286 1.00 20.33 H new ATOM 0 HE1 TRP A 10 12.721 -22.438 10.996 1.00 71.43 H new ATOM 0 HE3 TRP A 10 13.294 -27.205 13.421 1.00 64.31 H new ATOM 0 HZ2 TRP A 10 14.225 -24.281 9.491 1.00 25.14 H new ATOM 0 HZ3 TRP A 10 14.613 -28.031 11.513 1.00 50.41 H new ATOM 0 HH2 TRP A 10 15.072 -26.585 9.574 1.00 22.43 H new ATOM 173 N MET A 11 9.554 -27.118 16.155 1.00 11.55 N ATOM 174 CA MET A 11 9.123 -27.820 17.374 1.00 2.11 C ATOM 175 C MET A 11 9.437 -29.327 17.315 1.00 41.52 C ATOM 176 O MET A 11 9.325 -29.955 16.264 1.00 42.43 O ATOM 177 CB MET A 11 7.621 -27.592 17.596 1.00 54.34 C ATOM 178 CG MET A 11 6.758 -27.990 16.406 1.00 13.55 C ATOM 179 SD MET A 11 5.037 -27.481 16.598 1.00 32.22 S ATOM 180 CE MET A 11 5.223 -25.701 16.719 1.00 1.44 C ATOM 0 H MET A 11 9.671 -27.720 15.340 1.00 11.55 H new ATOM 0 HA MET A 11 9.683 -27.410 18.214 1.00 2.11 H new ATOM 0 HB2 MET A 11 7.302 -28.159 18.470 1.00 54.34 H new ATOM 0 HB3 MET A 11 7.452 -26.539 17.820 1.00 54.34 H new ATOM 0 HG2 MET A 11 7.167 -27.543 15.500 1.00 13.55 H new ATOM 0 HG3 MET A 11 6.801 -29.071 16.276 1.00 13.55 H new ATOM 0 HE1 MET A 11 4.433 -25.213 16.148 1.00 1.44 H new ATOM 0 HE2 MET A 11 5.155 -25.398 17.764 1.00 1.44 H new ATOM 0 HE3 MET A 11 6.194 -25.409 16.319 1.00 1.44 H new ATOM 190 N VAL A 12 9.833 -29.900 18.454 1.00 45.42 N ATOM 191 CA VAL A 12 10.156 -31.336 18.536 1.00 0.44 C ATOM 192 C VAL A 12 8.887 -32.209 18.528 1.00 12.33 C ATOM 193 O VAL A 12 7.776 -31.695 18.622 1.00 1.34 O ATOM 194 CB VAL A 12 10.989 -31.660 19.805 1.00 61.04 C ATOM 195 CG1 VAL A 12 12.308 -30.889 19.797 1.00 11.11 C ATOM 196 CG2 VAL A 12 10.187 -31.365 21.075 1.00 4.32 C ATOM 0 H VAL A 12 9.939 -29.396 19.335 1.00 45.42 H new ATOM 0 HA VAL A 12 10.748 -31.568 17.651 1.00 0.44 H new ATOM 0 HB VAL A 12 11.221 -32.725 19.797 1.00 61.04 H new ATOM 0 HG11 VAL A 12 12.876 -31.131 20.695 1.00 11.11 H new ATOM 0 HG12 VAL A 12 12.886 -31.167 18.916 1.00 11.11 H new ATOM 0 HG13 VAL A 12 12.104 -29.819 19.774 1.00 11.11 H new ATOM 0 HG21 VAL A 12 10.792 -31.600 21.950 1.00 4.32 H new ATOM 0 HG22 VAL A 12 9.913 -30.310 21.096 1.00 4.32 H new ATOM 0 HG23 VAL A 12 9.283 -31.974 21.084 1.00 4.32 H new ATOM 206 N GLU A 13 9.068 -33.532 18.441 1.00 53.02 N ATOM 207 CA GLU A 13 7.945 -34.490 18.362 1.00 34.00 C ATOM 208 C GLU A 13 6.843 -34.210 19.404 1.00 73.44 C ATOM 209 O GLU A 13 5.676 -34.010 19.052 1.00 14.20 O ATOM 210 CB GLU A 13 8.471 -35.922 18.544 1.00 25.24 C ATOM 211 CG GLU A 13 7.378 -36.989 18.538 1.00 43.51 C ATOM 212 CD GLU A 13 7.910 -38.378 18.859 1.00 71.12 C ATOM 213 OE1 GLU A 13 8.296 -38.616 20.021 1.00 65.12 O ATOM 214 OE2 GLU A 13 7.964 -39.230 17.949 1.00 42.22 O ATOM 0 H GLU A 13 9.988 -33.972 18.423 1.00 53.02 H new ATOM 0 HA GLU A 13 7.494 -34.371 17.377 1.00 34.00 H new ATOM 0 HB2 GLU A 13 9.183 -36.141 17.748 1.00 25.24 H new ATOM 0 HB3 GLU A 13 9.017 -35.981 19.485 1.00 25.24 H new ATOM 0 HG2 GLU A 13 6.611 -36.721 19.265 1.00 43.51 H new ATOM 0 HG3 GLU A 13 6.898 -37.006 17.560 1.00 43.51 H new ATOM 221 N LYS A 14 7.223 -34.205 20.682 1.00 35.13 N ATOM 222 CA LYS A 14 6.274 -33.992 21.785 1.00 24.42 C ATOM 223 C LYS A 14 5.474 -32.688 21.612 1.00 73.34 C ATOM 224 O LYS A 14 4.287 -32.629 21.928 1.00 41.23 O ATOM 225 CB LYS A 14 7.027 -34.000 23.128 1.00 22.21 C ATOM 226 CG LYS A 14 6.128 -34.023 24.366 1.00 52.51 C ATOM 227 CD LYS A 14 5.735 -32.623 24.838 1.00 15.10 C ATOM 228 CE LYS A 14 6.936 -31.844 25.369 1.00 34.32 C ATOM 229 NZ LYS A 14 6.540 -30.526 25.929 1.00 43.11 N ATOM 0 H LYS A 14 8.187 -34.347 20.984 1.00 35.13 H new ATOM 0 HA LYS A 14 5.553 -34.809 21.773 1.00 24.42 H new ATOM 0 HB2 LYS A 14 7.683 -34.870 23.156 1.00 22.21 H new ATOM 0 HB3 LYS A 14 7.666 -33.118 23.176 1.00 22.21 H new ATOM 0 HG2 LYS A 14 5.226 -34.593 24.144 1.00 52.51 H new ATOM 0 HG3 LYS A 14 6.643 -34.543 25.174 1.00 52.51 H new ATOM 0 HD2 LYS A 14 5.283 -32.075 24.011 1.00 15.10 H new ATOM 0 HD3 LYS A 14 4.979 -32.702 25.619 1.00 15.10 H new ATOM 0 HE2 LYS A 14 7.436 -32.430 26.140 1.00 34.32 H new ATOM 0 HE3 LYS A 14 7.656 -31.695 24.564 1.00 34.32 H new ATOM 0 HZ1 LYS A 14 7.384 -30.029 26.278 1.00 43.11 H new ATOM 0 HZ2 LYS A 14 6.085 -29.956 25.187 1.00 43.11 H new ATOM 0 HZ3 LYS A 14 5.873 -30.669 26.714 1.00 43.11 H new ATOM 243 N ALA A 15 6.125 -31.646 21.109 1.00 51.22 N ATOM 244 CA ALA A 15 5.451 -30.369 20.869 1.00 30.51 C ATOM 245 C ALA A 15 4.573 -30.434 19.611 1.00 53.33 C ATOM 246 O ALA A 15 3.434 -29.961 19.604 1.00 31.41 O ATOM 247 CB ALA A 15 6.482 -29.253 20.744 1.00 52.13 C ATOM 0 H ALA A 15 7.114 -31.656 20.859 1.00 51.22 H new ATOM 0 HA ALA A 15 4.801 -30.159 21.718 1.00 30.51 H new ATOM 0 HB1 ALA A 15 5.973 -28.306 20.565 1.00 52.13 H new ATOM 0 HB2 ALA A 15 7.060 -29.186 21.666 1.00 52.13 H new ATOM 0 HB3 ALA A 15 7.151 -29.468 19.911 1.00 52.13 H new ATOM 253 N LEU A 16 5.108 -31.054 18.563 1.00 62.31 N ATOM 254 CA LEU A 16 4.433 -31.156 17.267 1.00 45.11 C ATOM 255 C LEU A 16 3.070 -31.856 17.403 1.00 44.11 C ATOM 256 O LEU A 16 2.057 -31.368 16.895 1.00 34.24 O ATOM 257 CB LEU A 16 5.352 -31.904 16.273 1.00 52.15 C ATOM 258 CG LEU A 16 4.949 -31.864 14.782 1.00 33.14 C ATOM 259 CD1 LEU A 16 3.800 -32.827 14.478 1.00 23.14 C ATOM 260 CD2 LEU A 16 4.590 -30.438 14.361 1.00 53.21 C ATOM 0 H LEU A 16 6.024 -31.502 18.586 1.00 62.31 H new ATOM 0 HA LEU A 16 4.238 -30.154 16.886 1.00 45.11 H new ATOM 0 HB2 LEU A 16 6.357 -31.491 16.364 1.00 52.15 H new ATOM 0 HB3 LEU A 16 5.407 -32.948 16.582 1.00 52.15 H new ATOM 0 HG LEU A 16 5.809 -32.193 14.199 1.00 33.14 H new ATOM 0 HD11 LEU A 16 3.547 -32.769 13.419 1.00 23.14 H new ATOM 0 HD12 LEU A 16 4.104 -33.845 14.723 1.00 23.14 H new ATOM 0 HD13 LEU A 16 2.930 -32.555 15.075 1.00 23.14 H new ATOM 0 HD21 LEU A 16 4.309 -30.429 13.308 1.00 53.21 H new ATOM 0 HD22 LEU A 16 3.754 -30.080 14.963 1.00 53.21 H new ATOM 0 HD23 LEU A 16 5.451 -29.786 14.512 1.00 53.21 H new ATOM 272 N MET A 17 3.043 -32.991 18.104 1.00 51.34 N ATOM 273 CA MET A 17 1.800 -33.749 18.292 1.00 11.44 C ATOM 274 C MET A 17 0.715 -32.899 18.983 1.00 43.24 C ATOM 275 O MET A 17 -0.472 -33.034 18.692 1.00 21.34 O ATOM 276 CB MET A 17 2.060 -35.035 19.096 1.00 63.14 C ATOM 277 CG MET A 17 2.558 -34.799 20.516 1.00 11.31 C ATOM 278 SD MET A 17 2.783 -36.334 21.440 1.00 1.11 S ATOM 279 CE MET A 17 4.038 -37.152 20.457 1.00 3.12 C ATOM 0 H MET A 17 3.862 -33.406 18.549 1.00 51.34 H new ATOM 0 HA MET A 17 1.434 -34.021 17.302 1.00 11.44 H new ATOM 0 HB2 MET A 17 1.138 -35.615 19.139 1.00 63.14 H new ATOM 0 HB3 MET A 17 2.793 -35.641 18.563 1.00 63.14 H new ATOM 0 HG2 MET A 17 3.504 -34.260 20.480 1.00 11.31 H new ATOM 0 HG3 MET A 17 1.848 -34.162 21.044 1.00 11.31 H new ATOM 0 HE1 MET A 17 4.838 -37.504 21.108 1.00 3.12 H new ATOM 0 HE2 MET A 17 3.596 -38.000 19.935 1.00 3.12 H new ATOM 0 HE3 MET A 17 4.445 -36.450 19.729 1.00 3.12 H new ATOM 289 N VAL A 18 1.130 -32.016 19.888 1.00 41.22 N ATOM 290 CA VAL A 18 0.195 -31.127 20.588 1.00 35.31 C ATOM 291 C VAL A 18 -0.317 -30.011 19.657 1.00 22.35 C ATOM 292 O VAL A 18 -1.517 -29.735 19.592 1.00 1.13 O ATOM 293 CB VAL A 18 0.858 -30.485 21.836 1.00 52.41 C ATOM 294 CG1 VAL A 18 -0.138 -29.616 22.604 1.00 4.40 C ATOM 295 CG2 VAL A 18 1.459 -31.558 22.745 1.00 41.50 C ATOM 0 H VAL A 18 2.106 -31.894 20.157 1.00 41.22 H new ATOM 0 HA VAL A 18 -0.648 -31.740 20.907 1.00 35.31 H new ATOM 0 HB VAL A 18 1.666 -29.840 21.491 1.00 52.41 H new ATOM 0 HG11 VAL A 18 0.354 -29.179 23.473 1.00 4.40 H new ATOM 0 HG12 VAL A 18 -0.502 -28.820 21.955 1.00 4.40 H new ATOM 0 HG13 VAL A 18 -0.978 -30.229 22.932 1.00 4.40 H new ATOM 0 HG21 VAL A 18 1.918 -31.084 23.613 1.00 41.50 H new ATOM 0 HG22 VAL A 18 0.673 -32.237 23.076 1.00 41.50 H new ATOM 0 HG23 VAL A 18 2.215 -32.119 22.195 1.00 41.50 H new ATOM 305 N ARG A 19 0.605 -29.389 18.925 1.00 11.01 N ATOM 306 CA ARG A 19 0.275 -28.268 18.034 1.00 63.53 C ATOM 307 C ARG A 19 -0.562 -28.715 16.819 1.00 11.45 C ATOM 308 O ARG A 19 -1.351 -27.937 16.279 1.00 42.10 O ATOM 309 CB ARG A 19 1.564 -27.592 17.545 1.00 74.50 C ATOM 310 CG ARG A 19 2.519 -27.177 18.663 1.00 24.12 C ATOM 311 CD ARG A 19 1.942 -26.081 19.552 1.00 74.23 C ATOM 312 NE ARG A 19 2.875 -25.709 20.618 1.00 33.24 N ATOM 313 CZ ARG A 19 3.057 -24.490 21.051 1.00 63.51 C ATOM 314 NH1 ARG A 19 2.395 -23.498 20.548 1.00 71.11 N ATOM 315 NH2 ARG A 19 3.912 -24.271 21.991 1.00 64.30 N ATOM 0 H ARG A 19 1.593 -29.641 18.929 1.00 11.01 H new ATOM 0 HA ARG A 19 -0.325 -27.563 18.610 1.00 63.53 H new ATOM 0 HB2 ARG A 19 2.085 -28.273 16.872 1.00 74.50 H new ATOM 0 HB3 ARG A 19 1.299 -26.709 16.963 1.00 74.50 H new ATOM 0 HG2 ARG A 19 2.757 -28.048 19.274 1.00 24.12 H new ATOM 0 HG3 ARG A 19 3.455 -26.829 18.226 1.00 24.12 H new ATOM 0 HD2 ARG A 19 1.711 -25.204 18.947 1.00 74.23 H new ATOM 0 HD3 ARG A 19 1.004 -26.422 19.990 1.00 74.23 H new ATOM 0 HE ARG A 19 3.420 -26.453 21.052 1.00 33.24 H new ATOM 0 HH11 ARG A 19 1.719 -23.662 19.802 1.00 71.11 H new ATOM 0 HH12 ARG A 19 2.549 -22.552 20.898 1.00 71.11 H new ATOM 0 HH21 ARG A 19 4.440 -25.047 22.391 1.00 64.30 H new ATOM 0 HH22 ARG A 19 4.060 -23.322 22.335 1.00 64.30 H new ATOM 329 N THR A 20 -0.376 -29.962 16.383 1.00 15.43 N ATOM 330 CA THR A 20 -1.087 -30.488 15.201 1.00 21.12 C ATOM 331 C THR A 20 -2.295 -31.355 15.579 1.00 31.42 C ATOM 332 O THR A 20 -3.275 -31.422 14.835 1.00 12.11 O ATOM 333 CB THR A 20 -0.154 -31.342 14.312 1.00 54.33 C ATOM 334 OG1 THR A 20 0.339 -32.466 15.062 1.00 22.54 O ATOM 335 CG2 THR A 20 1.017 -30.516 13.785 1.00 52.31 C ATOM 0 H THR A 20 0.257 -30.629 16.824 1.00 15.43 H new ATOM 0 HA THR A 20 -1.431 -29.609 14.656 1.00 21.12 H new ATOM 0 HB THR A 20 -0.730 -31.697 13.457 1.00 54.33 H new ATOM 0 HG1 THR A 20 0.906 -32.147 15.795 1.00 22.54 H new ATOM 0 HG21 THR A 20 1.655 -31.144 13.163 1.00 52.31 H new ATOM 0 HG22 THR A 20 0.638 -29.684 13.191 1.00 52.31 H new ATOM 0 HG23 THR A 20 1.596 -30.129 14.624 1.00 52.31 H new ATOM 343 N GLY A 21 -2.223 -32.025 16.727 1.00 22.13 N ATOM 344 CA GLY A 21 -3.287 -32.943 17.132 1.00 41.23 C ATOM 345 C GLY A 21 -2.936 -34.407 16.875 1.00 5.32 C ATOM 346 O GLY A 21 -3.692 -35.311 17.239 1.00 31.34 O ATOM 0 H GLY A 21 -1.449 -31.952 17.387 1.00 22.13 H new ATOM 0 HA2 GLY A 21 -3.495 -32.805 18.193 1.00 41.23 H new ATOM 0 HA3 GLY A 21 -4.201 -32.693 16.593 1.00 41.23 H new ATOM 350 N LEU A 22 -1.784 -34.641 16.245 1.00 73.01 N ATOM 351 CA LEU A 22 -1.300 -36.002 15.981 1.00 12.44 C ATOM 352 C LEU A 22 -0.759 -36.672 17.255 1.00 44.42 C ATOM 353 O LEU A 22 -0.875 -36.138 18.360 1.00 71.21 O ATOM 354 CB LEU A 22 -0.202 -35.982 14.896 1.00 31.45 C ATOM 355 CG LEU A 22 -0.696 -35.918 13.437 1.00 4.52 C ATOM 356 CD1 LEU A 22 -1.554 -34.680 13.189 1.00 4.31 C ATOM 357 CD2 LEU A 22 0.485 -35.955 12.467 1.00 62.31 C ATOM 0 H LEU A 22 -1.165 -33.905 15.906 1.00 73.01 H new ATOM 0 HA LEU A 22 -2.150 -36.586 15.627 1.00 12.44 H new ATOM 0 HB2 LEU A 22 0.445 -35.124 15.078 1.00 31.45 H new ATOM 0 HB3 LEU A 22 0.412 -36.875 15.012 1.00 31.45 H new ATOM 0 HG LEU A 22 -1.320 -36.794 13.261 1.00 4.52 H new ATOM 0 HD11 LEU A 22 -1.884 -34.668 12.150 1.00 4.31 H new ATOM 0 HD12 LEU A 22 -2.423 -34.702 13.846 1.00 4.31 H new ATOM 0 HD13 LEU A 22 -0.968 -33.784 13.393 1.00 4.31 H new ATOM 0 HD21 LEU A 22 0.116 -35.909 11.442 1.00 62.31 H new ATOM 0 HD22 LEU A 22 1.138 -35.103 12.656 1.00 62.31 H new ATOM 0 HD23 LEU A 22 1.044 -36.880 12.610 1.00 62.31 H new ATOM 369 N GLY A 23 -0.170 -37.851 17.083 1.00 23.13 N ATOM 370 CA GLY A 23 0.414 -38.581 18.200 1.00 42.24 C ATOM 371 C GLY A 23 1.651 -39.368 17.791 1.00 33.10 C ATOM 372 O GLY A 23 1.923 -39.517 16.600 1.00 22.25 O ATOM 0 H GLY A 23 -0.085 -38.320 16.181 1.00 23.13 H new ATOM 0 HA2 GLY A 23 0.677 -37.880 18.992 1.00 42.24 H new ATOM 0 HA3 GLY A 23 -0.328 -39.264 18.613 1.00 42.24 H new ATOM 376 N ALA A 24 2.387 -39.888 18.773 1.00 72.23 N ATOM 377 CA ALA A 24 3.646 -40.605 18.514 1.00 35.11 C ATOM 378 C ALA A 24 3.476 -41.720 17.467 1.00 12.22 C ATOM 379 O ALA A 24 4.224 -41.785 16.489 1.00 41.23 O ATOM 380 CB ALA A 24 4.199 -41.183 19.815 1.00 15.52 C ATOM 0 H ALA A 24 2.136 -39.828 19.760 1.00 72.23 H new ATOM 0 HA ALA A 24 4.354 -39.883 18.107 1.00 35.11 H new ATOM 0 HB1 ALA A 24 5.130 -41.711 19.611 1.00 15.52 H new ATOM 0 HB2 ALA A 24 4.387 -40.374 20.521 1.00 15.52 H new ATOM 0 HB3 ALA A 24 3.474 -41.876 20.242 1.00 15.52 H new ATOM 386 N ARG A 25 2.474 -42.575 17.670 1.00 71.34 N ATOM 387 CA ARG A 25 2.225 -43.720 16.782 1.00 35.32 C ATOM 388 C ARG A 25 1.923 -43.269 15.341 1.00 72.15 C ATOM 389 O ARG A 25 2.287 -43.941 14.373 1.00 20.15 O ATOM 390 CB ARG A 25 1.054 -44.551 17.316 1.00 52.04 C ATOM 391 CG ARG A 25 0.944 -45.935 16.688 1.00 31.52 C ATOM 392 CD ARG A 25 -0.304 -46.678 17.156 1.00 50.32 C ATOM 393 NE ARG A 25 -0.243 -48.102 16.834 1.00 24.34 N ATOM 394 CZ ARG A 25 -1.150 -48.755 16.161 1.00 10.51 C ATOM 395 NH1 ARG A 25 -2.179 -48.148 15.664 1.00 43.32 N ATOM 396 NH2 ARG A 25 -1.014 -50.027 15.982 1.00 62.42 N ATOM 0 H ARG A 25 1.816 -42.499 18.445 1.00 71.34 H new ATOM 0 HA ARG A 25 3.131 -44.326 16.763 1.00 35.32 H new ATOM 0 HB2 ARG A 25 1.160 -44.660 18.395 1.00 52.04 H new ATOM 0 HB3 ARG A 25 0.125 -44.008 17.140 1.00 52.04 H new ATOM 0 HG2 ARG A 25 0.923 -45.840 15.602 1.00 31.52 H new ATOM 0 HG3 ARG A 25 1.829 -46.519 16.940 1.00 31.52 H new ATOM 0 HD2 ARG A 25 -0.418 -46.554 18.233 1.00 50.32 H new ATOM 0 HD3 ARG A 25 -1.185 -46.238 16.689 1.00 50.32 H new ATOM 0 HE ARG A 25 0.570 -48.625 17.160 1.00 24.34 H new ATOM 0 HH11 ARG A 25 -2.291 -47.143 15.796 1.00 43.32 H new ATOM 0 HH12 ARG A 25 -2.878 -48.675 15.141 1.00 43.32 H new ATOM 0 HH21 ARG A 25 -0.203 -50.512 16.365 1.00 62.42 H new ATOM 0 HH22 ARG A 25 -1.718 -50.546 15.457 1.00 62.42 H new ATOM 410 N GLN A 26 1.247 -42.132 15.208 1.00 71.44 N ATOM 411 CA GLN A 26 0.907 -41.582 13.892 1.00 71.44 C ATOM 412 C GLN A 26 2.112 -40.870 13.246 1.00 3.12 C ATOM 413 O GLN A 26 2.353 -41.005 12.045 1.00 54.21 O ATOM 414 CB GLN A 26 -0.290 -40.626 14.023 1.00 52.42 C ATOM 415 CG GLN A 26 -0.729 -39.989 12.708 1.00 34.10 C ATOM 416 CD GLN A 26 -2.060 -39.253 12.805 1.00 51.13 C ATOM 417 OE1 GLN A 26 -2.404 -38.776 13.988 1.00 24.22 O flip ATOM 418 NE2 GLN A 26 -2.786 -39.133 11.826 1.00 34.31 N flip ATOM 0 H GLN A 26 0.922 -41.570 15.994 1.00 71.44 H new ATOM 0 HA GLN A 26 0.633 -42.408 13.235 1.00 71.44 H new ATOM 0 HB2 GLN A 26 -1.132 -41.172 14.448 1.00 52.42 H new ATOM 0 HB3 GLN A 26 -0.034 -39.836 14.729 1.00 52.42 H new ATOM 0 HG2 GLN A 26 0.040 -39.291 12.377 1.00 34.10 H new ATOM 0 HG3 GLN A 26 -0.806 -40.764 11.946 1.00 34.10 H new ATOM 0 HE21 GLN A 26 -2.494 -39.512 10.925 1.00 34.31 H new ATOM 0 HE22 GLN A 26 -3.683 -38.654 11.912 1.00 34.31 H new ATOM 427 N ILE A 27 2.877 -40.129 14.050 1.00 13.33 N ATOM 428 CA ILE A 27 4.046 -39.396 13.546 1.00 32.12 C ATOM 429 C ILE A 27 5.142 -40.357 13.058 1.00 31.11 C ATOM 430 O ILE A 27 5.725 -40.153 11.990 1.00 54.12 O ATOM 431 CB ILE A 27 4.638 -38.440 14.616 1.00 5.41 C ATOM 432 CG1 ILE A 27 3.590 -37.401 15.052 1.00 43.42 C ATOM 433 CG2 ILE A 27 5.891 -37.742 14.081 1.00 5.45 C ATOM 434 CD1 ILE A 27 4.066 -36.470 16.151 1.00 11.04 C ATOM 0 H ILE A 27 2.711 -40.019 15.050 1.00 13.33 H new ATOM 0 HA ILE A 27 3.695 -38.798 12.705 1.00 32.12 H new ATOM 0 HB ILE A 27 4.919 -39.033 15.486 1.00 5.41 H new ATOM 0 HG12 ILE A 27 3.301 -36.806 14.186 1.00 43.42 H new ATOM 0 HG13 ILE A 27 2.696 -37.923 15.393 1.00 43.42 H new ATOM 0 HG21 ILE A 27 6.291 -37.076 14.846 1.00 5.45 H new ATOM 0 HG22 ILE A 27 6.641 -38.489 13.822 1.00 5.45 H new ATOM 0 HG23 ILE A 27 5.634 -37.163 13.194 1.00 5.45 H new ATOM 0 HD11 ILE A 27 3.271 -35.768 16.402 1.00 11.04 H new ATOM 0 HD12 ILE A 27 4.328 -37.053 17.034 1.00 11.04 H new ATOM 0 HD13 ILE A 27 4.942 -35.919 15.807 1.00 11.04 H new ATOM 446 N GLU A 28 5.413 -41.411 13.834 1.00 55.12 N ATOM 447 CA GLU A 28 6.405 -42.416 13.437 1.00 32.12 C ATOM 448 C GLU A 28 6.052 -43.025 12.073 1.00 11.52 C ATOM 449 O GLU A 28 6.929 -43.280 11.252 1.00 72.13 O ATOM 450 CB GLU A 28 6.532 -43.521 14.498 1.00 13.12 C ATOM 451 CG GLU A 28 5.277 -44.366 14.682 1.00 14.02 C ATOM 452 CD GLU A 28 5.475 -45.512 15.661 1.00 24.32 C ATOM 453 OE1 GLU A 28 5.923 -46.596 15.232 1.00 74.11 O ATOM 454 OE2 GLU A 28 5.187 -45.338 16.860 1.00 65.34 O ATOM 0 H GLU A 28 4.964 -41.590 14.732 1.00 55.12 H new ATOM 0 HA GLU A 28 7.368 -41.913 13.353 1.00 32.12 H new ATOM 0 HB2 GLU A 28 7.359 -44.176 14.225 1.00 13.12 H new ATOM 0 HB3 GLU A 28 6.790 -43.063 15.453 1.00 13.12 H new ATOM 0 HG2 GLU A 28 4.465 -43.730 15.034 1.00 14.02 H new ATOM 0 HG3 GLU A 28 4.971 -44.768 13.716 1.00 14.02 H new ATOM 461 N SER A 29 4.757 -43.233 11.834 1.00 21.03 N ATOM 462 CA SER A 29 4.276 -43.738 10.539 1.00 14.42 C ATOM 463 C SER A 29 4.645 -42.774 9.401 1.00 15.22 C ATOM 464 O SER A 29 5.200 -43.183 8.379 1.00 4.51 O ATOM 465 CB SER A 29 2.756 -43.951 10.570 1.00 31.14 C ATOM 466 OG SER A 29 2.277 -44.444 9.327 1.00 43.41 O ATOM 0 H SER A 29 4.019 -43.061 12.517 1.00 21.03 H new ATOM 0 HA SER A 29 4.763 -44.696 10.355 1.00 14.42 H new ATOM 0 HB2 SER A 29 2.501 -44.653 11.364 1.00 31.14 H new ATOM 0 HB3 SER A 29 2.260 -43.010 10.806 1.00 31.14 H new ATOM 0 HG SER A 29 1.307 -44.571 9.378 1.00 43.41 H new ATOM 472 N TYR A 30 4.351 -41.487 9.588 1.00 21.02 N ATOM 473 CA TYR A 30 4.716 -40.461 8.600 1.00 15.25 C ATOM 474 C TYR A 30 6.242 -40.348 8.430 1.00 54.24 C ATOM 475 O TYR A 30 6.728 -39.998 7.353 1.00 2.31 O ATOM 476 CB TYR A 30 4.131 -39.094 8.985 1.00 11.23 C ATOM 477 CG TYR A 30 2.629 -38.980 8.783 1.00 51.33 C ATOM 478 CD1 TYR A 30 2.081 -38.965 7.503 1.00 11.24 C ATOM 479 CD2 TYR A 30 1.762 -38.882 9.865 1.00 2.25 C ATOM 480 CE1 TYR A 30 0.716 -38.860 7.311 1.00 11.22 C ATOM 481 CE2 TYR A 30 0.396 -38.776 9.679 1.00 12.40 C ATOM 482 CZ TYR A 30 -0.122 -38.763 8.402 1.00 74.43 C ATOM 483 OH TYR A 30 -1.483 -38.653 8.215 1.00 43.33 O ATOM 0 H TYR A 30 3.864 -41.127 10.409 1.00 21.02 H new ATOM 0 HA TYR A 30 4.291 -40.773 7.646 1.00 15.25 H new ATOM 0 HB2 TYR A 30 4.362 -38.894 10.031 1.00 11.23 H new ATOM 0 HB3 TYR A 30 4.625 -38.321 8.396 1.00 11.23 H new ATOM 0 HD1 TYR A 30 2.734 -39.037 6.645 1.00 11.24 H new ATOM 0 HD2 TYR A 30 2.162 -38.889 10.868 1.00 2.25 H new ATOM 0 HE1 TYR A 30 0.308 -38.854 6.311 1.00 11.22 H new ATOM 0 HE2 TYR A 30 -0.263 -38.704 10.532 1.00 12.40 H new ATOM 0 HH TYR A 30 -1.929 -38.596 9.086 1.00 43.33 H new ATOM 493 N ARG A 31 6.996 -40.650 9.489 1.00 10.11 N ATOM 494 CA ARG A 31 8.466 -40.631 9.419 1.00 22.40 C ATOM 495 C ARG A 31 9.016 -41.771 8.553 1.00 22.32 C ATOM 496 O ARG A 31 10.198 -41.779 8.202 1.00 2.43 O ATOM 497 CB ARG A 31 9.091 -40.696 10.821 1.00 24.44 C ATOM 498 CG ARG A 31 8.910 -39.419 11.628 1.00 53.24 C ATOM 499 CD ARG A 31 9.732 -39.427 12.912 1.00 42.25 C ATOM 500 NE ARG A 31 9.288 -40.449 13.858 1.00 64.02 N ATOM 501 CZ ARG A 31 9.057 -40.219 15.122 1.00 73.13 C ATOM 502 NH1 ARG A 31 9.258 -39.045 15.624 1.00 30.40 N ATOM 503 NH2 ARG A 31 8.648 -41.170 15.893 1.00 44.20 N ATOM 0 H ARG A 31 6.620 -40.909 10.401 1.00 10.11 H new ATOM 0 HA ARG A 31 8.742 -39.686 8.951 1.00 22.40 H new ATOM 0 HB2 ARG A 31 8.648 -41.528 11.369 1.00 24.44 H new ATOM 0 HB3 ARG A 31 10.156 -40.908 10.726 1.00 24.44 H new ATOM 0 HG2 ARG A 31 9.199 -38.562 11.019 1.00 53.24 H new ATOM 0 HG3 ARG A 31 7.856 -39.293 11.874 1.00 53.24 H new ATOM 0 HD2 ARG A 31 10.781 -39.596 12.667 1.00 42.25 H new ATOM 0 HD3 ARG A 31 9.669 -38.447 13.385 1.00 42.25 H new ATOM 0 HE ARG A 31 9.151 -41.398 13.510 1.00 64.02 H new ATOM 0 HH11 ARG A 31 9.600 -38.289 15.031 1.00 30.40 H new ATOM 0 HH12 ARG A 31 9.075 -38.875 16.613 1.00 30.40 H new ATOM 0 HH21 ARG A 31 8.504 -42.106 15.515 1.00 44.20 H new ATOM 0 HH22 ARG A 31 8.469 -40.985 16.880 1.00 44.20 H new ATOM 517 N GLN A 32 8.161 -42.731 8.213 1.00 74.02 N ATOM 518 CA GLN A 32 8.560 -43.857 7.367 1.00 51.11 C ATOM 519 C GLN A 32 8.372 -43.538 5.871 1.00 50.24 C ATOM 520 O GLN A 32 8.626 -44.388 5.018 1.00 54.23 O ATOM 521 CB GLN A 32 7.757 -45.111 7.750 1.00 54.41 C ATOM 522 CG GLN A 32 7.867 -45.479 9.229 1.00 31.33 C ATOM 523 CD GLN A 32 7.123 -46.754 9.582 1.00 61.20 C ATOM 524 OE1 GLN A 32 5.939 -46.732 9.908 1.00 74.12 O ATOM 525 NE2 GLN A 32 7.812 -47.875 9.531 1.00 74.52 N ATOM 0 H GLN A 32 7.185 -42.754 8.510 1.00 74.02 H new ATOM 0 HA GLN A 32 9.621 -44.043 7.533 1.00 51.11 H new ATOM 0 HB2 GLN A 32 6.708 -44.951 7.501 1.00 54.41 H new ATOM 0 HB3 GLN A 32 8.103 -45.952 7.148 1.00 54.41 H new ATOM 0 HG2 GLN A 32 8.919 -45.595 9.491 1.00 31.33 H new ATOM 0 HG3 GLN A 32 7.476 -44.659 9.831 1.00 31.33 H new ATOM 0 HE21 GLN A 32 8.794 -47.858 9.256 1.00 74.52 H new ATOM 0 HE22 GLN A 32 7.364 -48.760 9.766 1.00 74.52 H new ATOM 534 N GLY A 33 7.944 -42.308 5.553 1.00 43.12 N ATOM 535 CA GLY A 33 7.724 -41.945 4.153 1.00 14.35 C ATOM 536 C GLY A 33 7.607 -40.441 3.893 1.00 64.41 C ATOM 537 O GLY A 33 8.304 -39.901 3.029 1.00 62.20 O ATOM 0 H GLY A 33 7.749 -41.568 6.228 1.00 43.12 H new ATOM 0 HA2 GLY A 33 8.546 -42.340 3.556 1.00 14.35 H new ATOM 0 HA3 GLY A 33 6.813 -42.432 3.804 1.00 14.35 H new ATOM 541 N ALA A 34 6.728 -39.764 4.630 1.00 2.33 N ATOM 542 CA ALA A 34 6.400 -38.355 4.352 1.00 44.32 C ATOM 543 C ALA A 34 7.447 -37.360 4.900 1.00 71.31 C ATOM 544 O ALA A 34 7.743 -36.343 4.263 1.00 51.40 O ATOM 545 CB ALA A 34 5.022 -38.028 4.914 1.00 43.40 C ATOM 0 H ALA A 34 6.227 -40.162 5.425 1.00 2.33 H new ATOM 0 HA ALA A 34 6.405 -38.239 3.268 1.00 44.32 H new ATOM 0 HB1 ALA A 34 4.783 -36.985 4.707 1.00 43.40 H new ATOM 0 HB2 ALA A 34 4.276 -38.671 4.447 1.00 43.40 H new ATOM 0 HB3 ALA A 34 5.020 -38.193 5.991 1.00 43.40 H new ATOM 551 N TRP A 35 7.990 -37.634 6.085 1.00 51.23 N ATOM 552 CA TRP A 35 8.966 -36.728 6.717 1.00 43.22 C ATOM 553 C TRP A 35 10.328 -36.758 5.988 1.00 11.53 C ATOM 554 O TRP A 35 10.883 -37.825 5.728 1.00 10.01 O ATOM 555 CB TRP A 35 9.161 -37.094 8.198 1.00 5.24 C ATOM 556 CG TRP A 35 8.136 -36.537 9.164 1.00 33.40 C ATOM 557 CD1 TRP A 35 8.353 -36.287 10.489 1.00 2.43 C ATOM 558 CD2 TRP A 35 6.767 -36.155 8.913 1.00 52.40 C ATOM 559 NE1 TRP A 35 7.218 -35.800 11.079 1.00 72.43 N ATOM 560 CE2 TRP A 35 6.232 -35.706 10.139 1.00 65.14 C ATOM 561 CE3 TRP A 35 5.934 -36.152 7.788 1.00 53.03 C ATOM 562 CZ2 TRP A 35 4.921 -35.261 10.268 1.00 13.53 C ATOM 563 CZ3 TRP A 35 4.630 -35.706 7.920 1.00 34.13 C ATOM 564 CH2 TRP A 35 4.135 -35.269 9.151 1.00 3.34 C ATOM 0 H TRP A 35 7.777 -38.470 6.630 1.00 51.23 H new ATOM 0 HA TRP A 35 8.565 -35.717 6.645 1.00 43.22 H new ATOM 0 HB2 TRP A 35 9.160 -38.180 8.286 1.00 5.24 H new ATOM 0 HB3 TRP A 35 10.148 -36.750 8.509 1.00 5.24 H new ATOM 0 HD1 TRP A 35 9.290 -36.451 11.000 1.00 2.43 H new ATOM 0 HE1 TRP A 35 7.124 -35.548 12.063 1.00 72.43 H new ATOM 0 HE3 TRP A 35 6.303 -36.492 6.832 1.00 53.03 H new ATOM 0 HZ2 TRP A 35 4.537 -34.921 11.219 1.00 13.53 H new ATOM 0 HZ3 TRP A 35 3.983 -35.696 7.055 1.00 34.13 H new ATOM 0 HH2 TRP A 35 3.112 -34.931 9.221 1.00 3.34 H new ATOM 575 N ILE A 36 10.861 -35.573 5.671 1.00 75.13 N ATOM 576 CA ILE A 36 12.139 -35.447 4.948 1.00 72.12 C ATOM 577 C ILE A 36 13.081 -34.455 5.656 1.00 31.32 C ATOM 578 O ILE A 36 12.700 -33.310 5.920 1.00 24.33 O ATOM 579 CB ILE A 36 11.904 -34.961 3.492 1.00 61.35 C ATOM 580 CG1 ILE A 36 10.967 -35.925 2.740 1.00 43.24 C ATOM 581 CG2 ILE A 36 13.233 -34.810 2.748 1.00 25.52 C ATOM 582 CD1 ILE A 36 10.594 -35.458 1.348 1.00 5.42 C ATOM 0 H ILE A 36 10.427 -34.680 5.904 1.00 75.13 H new ATOM 0 HA ILE A 36 12.600 -36.435 4.934 1.00 72.12 H new ATOM 0 HB ILE A 36 11.425 -33.983 3.535 1.00 61.35 H new ATOM 0 HG12 ILE A 36 11.447 -36.901 2.669 1.00 43.24 H new ATOM 0 HG13 ILE A 36 10.056 -36.060 3.324 1.00 43.24 H new ATOM 0 HG21 ILE A 36 13.044 -34.469 1.730 1.00 25.52 H new ATOM 0 HG22 ILE A 36 13.858 -34.082 3.264 1.00 25.52 H new ATOM 0 HG23 ILE A 36 13.745 -35.772 2.719 1.00 25.52 H new ATOM 0 HD11 ILE A 36 9.933 -36.190 0.884 1.00 5.42 H new ATOM 0 HD12 ILE A 36 10.084 -34.497 1.411 1.00 5.42 H new ATOM 0 HD13 ILE A 36 11.496 -35.351 0.746 1.00 5.42 H new ATOM 594 N GLU A 37 14.306 -34.889 5.961 1.00 12.00 N ATOM 595 CA GLU A 37 15.289 -34.019 6.620 1.00 24.33 C ATOM 596 C GLU A 37 15.757 -32.900 5.670 1.00 33.51 C ATOM 597 O GLU A 37 15.760 -33.064 4.450 1.00 13.44 O ATOM 598 CB GLU A 37 16.486 -34.843 7.125 1.00 12.41 C ATOM 599 CG GLU A 37 17.471 -34.043 7.972 1.00 30.52 C ATOM 600 CD GLU A 37 18.563 -34.900 8.596 1.00 44.13 C ATOM 601 OE1 GLU A 37 19.610 -35.113 7.945 1.00 43.10 O ATOM 602 OE2 GLU A 37 18.390 -35.356 9.746 1.00 34.52 O ATOM 0 H GLU A 37 14.642 -35.832 5.765 1.00 12.00 H new ATOM 0 HA GLU A 37 14.808 -33.551 7.479 1.00 24.33 H new ATOM 0 HB2 GLU A 37 16.115 -35.683 7.712 1.00 12.41 H new ATOM 0 HB3 GLU A 37 17.014 -35.262 6.268 1.00 12.41 H new ATOM 0 HG2 GLU A 37 17.932 -33.274 7.352 1.00 30.52 H new ATOM 0 HG3 GLU A 37 16.925 -33.529 8.763 1.00 30.52 H new ATOM 609 N GLY A 38 16.134 -31.758 6.236 1.00 44.42 N ATOM 610 CA GLY A 38 16.472 -30.590 5.431 1.00 71.45 C ATOM 611 C GLY A 38 15.241 -29.792 4.996 1.00 14.04 C ATOM 612 O GLY A 38 15.258 -28.559 4.985 1.00 2.25 O ATOM 0 H GLY A 38 16.213 -31.617 7.243 1.00 44.42 H new ATOM 0 HA2 GLY A 38 17.137 -29.941 6.002 1.00 71.45 H new ATOM 0 HA3 GLY A 38 17.022 -30.911 4.547 1.00 71.45 H new ATOM 616 N VAL A 39 14.169 -30.500 4.639 1.00 21.31 N ATOM 617 CA VAL A 39 12.928 -29.863 4.176 1.00 40.01 C ATOM 618 C VAL A 39 11.881 -29.738 5.301 1.00 51.40 C ATOM 619 O VAL A 39 11.516 -28.636 5.699 1.00 71.44 O ATOM 620 CB VAL A 39 12.305 -30.650 2.995 1.00 64.24 C ATOM 621 CG1 VAL A 39 11.096 -29.909 2.425 1.00 33.31 C ATOM 622 CG2 VAL A 39 13.346 -30.917 1.909 1.00 25.34 C ATOM 0 H VAL A 39 14.132 -31.519 4.661 1.00 21.31 H new ATOM 0 HA VAL A 39 13.204 -28.861 3.847 1.00 40.01 H new ATOM 0 HB VAL A 39 11.961 -31.613 3.374 1.00 64.24 H new ATOM 0 HG11 VAL A 39 10.676 -30.481 1.597 1.00 33.31 H new ATOM 0 HG12 VAL A 39 10.342 -29.790 3.203 1.00 33.31 H new ATOM 0 HG13 VAL A 39 11.406 -28.927 2.067 1.00 33.31 H new ATOM 0 HG21 VAL A 39 12.885 -31.471 1.091 1.00 25.34 H new ATOM 0 HG22 VAL A 39 13.732 -29.969 1.534 1.00 25.34 H new ATOM 0 HG23 VAL A 39 14.165 -31.502 2.326 1.00 25.34 H new ATOM 632 N HIS A 40 11.389 -30.876 5.803 1.00 10.04 N ATOM 633 CA HIS A 40 10.336 -30.880 6.837 1.00 1.12 C ATOM 634 C HIS A 40 10.907 -30.916 8.270 1.00 14.12 C ATOM 635 O HIS A 40 10.164 -30.731 9.231 1.00 32.10 O ATOM 636 CB HIS A 40 9.382 -32.069 6.631 1.00 32.23 C ATOM 637 CG HIS A 40 8.486 -31.956 5.427 1.00 41.12 C ATOM 638 ND1 HIS A 40 8.608 -30.971 4.468 1.00 45.34 N ATOM 639 CD2 HIS A 40 7.441 -32.727 5.030 1.00 53.13 C ATOM 640 CE1 HIS A 40 7.687 -31.146 3.539 1.00 34.21 C ATOM 641 NE2 HIS A 40 6.968 -32.201 3.853 1.00 20.10 N ATOM 0 H HIS A 40 11.698 -31.804 5.515 1.00 10.04 H new ATOM 0 HA HIS A 40 9.789 -29.944 6.726 1.00 1.12 H new ATOM 0 HB2 HIS A 40 9.973 -32.980 6.543 1.00 32.23 H new ATOM 0 HB3 HIS A 40 8.761 -32.177 7.520 1.00 32.23 H new ATOM 0 HD2 HIS A 40 7.054 -33.594 5.545 1.00 53.13 H new ATOM 0 HE1 HIS A 40 7.547 -30.526 2.666 1.00 34.21 H new ATOM 0 HE2 HIS A 40 6.186 -32.569 3.311 1.00 20.10 H new ATOM 650 N PHE A 41 12.208 -31.184 8.407 1.00 61.43 N ATOM 651 CA PHE A 41 12.871 -31.191 9.727 1.00 45.45 C ATOM 652 C PHE A 41 14.395 -31.301 9.577 1.00 70.15 C ATOM 653 O PHE A 41 14.897 -31.482 8.472 1.00 0.31 O ATOM 654 CB PHE A 41 12.356 -32.358 10.591 1.00 33.12 C ATOM 655 CG PHE A 41 12.764 -33.730 10.103 1.00 74.44 C ATOM 656 CD1 PHE A 41 11.994 -34.416 9.176 1.00 41.35 C ATOM 657 CD2 PHE A 41 13.919 -34.336 10.582 1.00 54.13 C ATOM 658 CE1 PHE A 41 12.368 -35.675 8.741 1.00 34.24 C ATOM 659 CE2 PHE A 41 14.296 -35.591 10.148 1.00 75.02 C ATOM 660 CZ PHE A 41 13.519 -36.261 9.226 1.00 72.04 C ATOM 0 H PHE A 41 12.828 -31.399 7.626 1.00 61.43 H new ATOM 0 HA PHE A 41 12.631 -30.248 10.219 1.00 45.45 H new ATOM 0 HB2 PHE A 41 12.719 -32.226 11.610 1.00 33.12 H new ATOM 0 HB3 PHE A 41 11.268 -32.310 10.632 1.00 33.12 H new ATOM 0 HD1 PHE A 41 11.093 -33.963 8.790 1.00 41.35 H new ATOM 0 HD2 PHE A 41 14.531 -33.817 11.305 1.00 54.13 H new ATOM 0 HE1 PHE A 41 11.758 -36.200 8.021 1.00 34.24 H new ATOM 0 HE2 PHE A 41 15.197 -36.047 10.530 1.00 75.02 H new ATOM 0 HZ PHE A 41 13.811 -37.243 8.884 1.00 72.04 H new ATOM 670 N LYS A 42 15.127 -31.195 10.689 1.00 33.21 N ATOM 671 CA LYS A 42 16.583 -31.418 10.677 1.00 52.34 C ATOM 672 C LYS A 42 17.166 -31.541 12.095 1.00 75.15 C ATOM 673 O LYS A 42 16.469 -31.352 13.096 1.00 23.22 O ATOM 674 CB LYS A 42 17.317 -30.303 9.911 1.00 30.34 C ATOM 675 CG LYS A 42 17.165 -28.911 10.517 1.00 43.13 C ATOM 676 CD LYS A 42 18.128 -27.908 9.879 1.00 63.10 C ATOM 677 CE LYS A 42 17.924 -27.787 8.371 1.00 14.32 C ATOM 678 NZ LYS A 42 18.917 -26.870 7.749 1.00 52.42 N ATOM 0 H LYS A 42 14.743 -30.958 11.604 1.00 33.21 H new ATOM 0 HA LYS A 42 16.741 -32.366 10.162 1.00 52.34 H new ATOM 0 HB2 LYS A 42 18.377 -30.550 9.863 1.00 30.34 H new ATOM 0 HB3 LYS A 42 16.948 -30.281 8.886 1.00 30.34 H new ATOM 0 HG2 LYS A 42 16.140 -28.566 10.384 1.00 43.13 H new ATOM 0 HG3 LYS A 42 17.348 -28.959 11.590 1.00 43.13 H new ATOM 0 HD2 LYS A 42 17.990 -26.931 10.342 1.00 63.10 H new ATOM 0 HD3 LYS A 42 19.154 -28.214 10.081 1.00 63.10 H new ATOM 0 HE2 LYS A 42 18.004 -28.773 7.913 1.00 14.32 H new ATOM 0 HE3 LYS A 42 16.917 -27.423 8.169 1.00 14.32 H new ATOM 0 HZ1 LYS A 42 18.745 -26.815 6.725 1.00 52.42 H new ATOM 0 HZ2 LYS A 42 18.824 -25.922 8.167 1.00 52.42 H new ATOM 0 HZ3 LYS A 42 19.877 -27.231 7.920 1.00 52.42 H new ATOM 692 N ARG A 43 18.459 -31.864 12.159 1.00 23.13 N ATOM 693 CA ARG A 43 19.177 -32.020 13.433 1.00 1.13 C ATOM 694 C ARG A 43 19.708 -30.678 13.963 1.00 33.41 C ATOM 695 O ARG A 43 20.501 -30.001 13.302 1.00 10.33 O ATOM 696 CB ARG A 43 20.347 -32.996 13.255 1.00 13.24 C ATOM 697 CG ARG A 43 19.927 -34.453 13.085 1.00 44.44 C ATOM 698 CD ARG A 43 20.992 -35.257 12.352 1.00 3.11 C ATOM 699 NE ARG A 43 21.051 -34.889 10.937 1.00 63.21 N ATOM 700 CZ ARG A 43 22.096 -34.392 10.333 1.00 61.11 C ATOM 701 NH1 ARG A 43 23.199 -34.176 10.975 1.00 74.44 N ATOM 702 NH2 ARG A 43 22.029 -34.109 9.076 1.00 4.33 N ATOM 0 H ARG A 43 19.039 -32.025 11.335 1.00 23.13 H new ATOM 0 HA ARG A 43 18.468 -32.412 14.162 1.00 1.13 H new ATOM 0 HB2 ARG A 43 20.928 -32.693 12.384 1.00 13.24 H new ATOM 0 HB3 ARG A 43 21.005 -32.918 14.120 1.00 13.24 H new ATOM 0 HG2 ARG A 43 19.743 -34.897 14.064 1.00 44.44 H new ATOM 0 HG3 ARG A 43 18.989 -34.501 12.532 1.00 44.44 H new ATOM 0 HD2 ARG A 43 21.964 -35.087 12.816 1.00 3.11 H new ATOM 0 HD3 ARG A 43 20.776 -36.321 12.445 1.00 3.11 H new ATOM 0 HE ARG A 43 20.209 -35.032 10.379 1.00 63.21 H new ATOM 0 HH11 ARG A 43 23.262 -34.395 11.969 1.00 74.44 H new ATOM 0 HH12 ARG A 43 24.006 -33.787 10.487 1.00 74.44 H new ATOM 0 HH21 ARG A 43 21.164 -34.274 8.562 1.00 4.33 H new ATOM 0 HH22 ARG A 43 22.841 -33.720 8.597 1.00 4.33 H new ATOM 716 N VAL A 44 19.270 -30.311 15.162 1.00 54.31 N ATOM 717 CA VAL A 44 19.745 -29.102 15.842 1.00 34.52 C ATOM 718 C VAL A 44 20.643 -29.464 17.042 1.00 14.15 C ATOM 719 O VAL A 44 20.479 -30.519 17.661 1.00 62.34 O ATOM 720 CB VAL A 44 18.550 -28.229 16.314 1.00 10.11 C ATOM 721 CG1 VAL A 44 19.029 -26.975 17.042 1.00 42.55 C ATOM 722 CG2 VAL A 44 17.660 -27.853 15.128 1.00 22.12 C ATOM 0 H VAL A 44 18.577 -30.839 15.693 1.00 54.31 H new ATOM 0 HA VAL A 44 20.335 -28.528 15.128 1.00 34.52 H new ATOM 0 HB VAL A 44 17.964 -28.819 17.018 1.00 10.11 H new ATOM 0 HG11 VAL A 44 18.168 -26.387 17.359 1.00 42.55 H new ATOM 0 HG12 VAL A 44 19.613 -27.263 17.916 1.00 42.55 H new ATOM 0 HG13 VAL A 44 19.648 -26.379 16.372 1.00 42.55 H new ATOM 0 HG21 VAL A 44 16.828 -27.242 15.477 1.00 22.12 H new ATOM 0 HG22 VAL A 44 18.243 -27.290 14.399 1.00 22.12 H new ATOM 0 HG23 VAL A 44 17.274 -28.759 14.661 1.00 22.12 H new ATOM 732 N SER A 45 21.599 -28.588 17.357 1.00 74.34 N ATOM 733 CA SER A 45 22.556 -28.823 18.452 1.00 62.13 C ATOM 734 C SER A 45 21.855 -29.036 19.805 1.00 20.34 C ATOM 735 O SER A 45 20.853 -28.383 20.106 1.00 71.12 O ATOM 736 CB SER A 45 23.529 -27.641 18.568 1.00 42.32 C ATOM 737 OG SER A 45 24.254 -27.444 17.363 1.00 45.20 O ATOM 0 H SER A 45 21.735 -27.703 16.869 1.00 74.34 H new ATOM 0 HA SER A 45 23.100 -29.735 18.208 1.00 62.13 H new ATOM 0 HB2 SER A 45 22.975 -26.735 18.813 1.00 42.32 H new ATOM 0 HB3 SER A 45 24.225 -27.820 19.388 1.00 42.32 H new ATOM 0 HG SER A 45 24.863 -26.684 17.468 1.00 45.20 H new ATOM 743 N PRO A 46 22.370 -29.965 20.640 1.00 61.22 N ATOM 744 CA PRO A 46 21.845 -30.200 21.996 1.00 53.24 C ATOM 745 C PRO A 46 22.205 -29.061 22.970 1.00 62.13 C ATOM 746 O PRO A 46 23.101 -28.260 22.698 1.00 10.21 O ATOM 747 CB PRO A 46 22.521 -31.518 22.431 1.00 51.02 C ATOM 748 CG PRO A 46 23.191 -32.057 21.204 1.00 1.52 C ATOM 749 CD PRO A 46 23.487 -30.867 20.335 1.00 11.10 C ATOM 0 HA PRO A 46 20.756 -30.247 22.003 1.00 53.24 H new ATOM 0 HB2 PRO A 46 23.245 -31.342 23.227 1.00 51.02 H new ATOM 0 HB3 PRO A 46 21.787 -32.225 22.818 1.00 51.02 H new ATOM 0 HG2 PRO A 46 24.107 -32.589 21.462 1.00 1.52 H new ATOM 0 HG3 PRO A 46 22.545 -32.766 20.687 1.00 1.52 H new ATOM 0 HD2 PRO A 46 24.450 -30.417 20.577 1.00 11.10 H new ATOM 0 HD3 PRO A 46 23.517 -31.133 19.278 1.00 11.10 H new ATOM 757 N SER A 47 21.513 -29.005 24.108 1.00 33.32 N ATOM 758 CA SER A 47 21.713 -27.923 25.085 1.00 44.35 C ATOM 759 C SER A 47 22.961 -28.142 25.954 1.00 2.11 C ATOM 760 O SER A 47 23.918 -27.365 25.891 1.00 31.41 O ATOM 761 CB SER A 47 20.479 -27.780 25.990 1.00 20.25 C ATOM 762 OG SER A 47 20.238 -28.963 26.745 1.00 4.41 O ATOM 0 H SER A 47 20.810 -29.692 24.380 1.00 33.32 H new ATOM 0 HA SER A 47 21.861 -27.007 24.513 1.00 44.35 H new ATOM 0 HB2 SER A 47 20.621 -26.938 26.668 1.00 20.25 H new ATOM 0 HB3 SER A 47 19.605 -27.554 25.380 1.00 20.25 H new ATOM 0 HG SER A 47 19.447 -28.835 27.310 1.00 4.41 H new ATOM 768 N GLY A 48 22.948 -29.206 26.756 1.00 14.55 N ATOM 769 CA GLY A 48 24.015 -29.435 27.728 1.00 15.54 C ATOM 770 C GLY A 48 25.310 -29.975 27.123 1.00 72.32 C ATOM 771 O GLY A 48 26.369 -29.358 27.255 1.00 53.42 O ATOM 0 H GLY A 48 22.217 -29.917 26.752 1.00 14.55 H new ATOM 0 HA2 GLY A 48 24.230 -28.498 28.241 1.00 15.54 H new ATOM 0 HA3 GLY A 48 23.659 -30.137 28.482 1.00 15.54 H new ATOM 775 N GLU A 49 25.235 -31.132 26.467 1.00 3.54 N ATOM 776 CA GLU A 49 26.435 -31.793 25.931 1.00 33.52 C ATOM 777 C GLU A 49 26.295 -32.123 24.438 1.00 21.12 C ATOM 778 O GLU A 49 25.206 -32.431 23.950 1.00 14.50 O ATOM 779 CB GLU A 49 26.730 -33.076 26.721 1.00 72.33 C ATOM 780 CG GLU A 49 27.074 -32.833 28.188 1.00 53.14 C ATOM 781 CD GLU A 49 27.359 -34.119 28.949 1.00 5.10 C ATOM 782 OE1 GLU A 49 28.499 -34.627 28.862 1.00 35.34 O ATOM 783 OE2 GLU A 49 26.450 -34.621 29.643 1.00 23.45 O ATOM 0 H GLU A 49 24.364 -31.633 26.292 1.00 3.54 H new ATOM 0 HA GLU A 49 27.265 -31.095 26.040 1.00 33.52 H new ATOM 0 HB2 GLU A 49 25.862 -33.733 26.665 1.00 72.33 H new ATOM 0 HB3 GLU A 49 27.558 -33.601 26.246 1.00 72.33 H new ATOM 0 HG2 GLU A 49 27.945 -32.180 28.249 1.00 53.14 H new ATOM 0 HG3 GLU A 49 26.248 -32.308 28.668 1.00 53.14 H new ATOM 790 N LYS A 50 27.417 -32.072 23.727 1.00 64.45 N ATOM 791 CA LYS A 50 27.453 -32.348 22.288 1.00 25.10 C ATOM 792 C LYS A 50 27.491 -33.861 22.011 1.00 30.23 C ATOM 793 O LYS A 50 28.454 -34.542 22.362 1.00 4.04 O ATOM 794 CB LYS A 50 28.681 -31.663 21.678 1.00 43.33 C ATOM 795 CG LYS A 50 28.691 -30.148 21.883 1.00 33.54 C ATOM 796 CD LYS A 50 30.058 -29.533 21.585 1.00 2.42 C ATOM 797 CE LYS A 50 31.123 -30.010 22.569 1.00 34.21 C ATOM 798 NZ LYS A 50 32.432 -29.339 22.344 1.00 45.23 N ATOM 0 H LYS A 50 28.326 -31.839 24.127 1.00 64.45 H new ATOM 0 HA LYS A 50 26.546 -31.954 21.831 1.00 25.10 H new ATOM 0 HB2 LYS A 50 29.582 -32.089 22.119 1.00 43.33 H new ATOM 0 HB3 LYS A 50 28.716 -31.879 20.610 1.00 43.33 H new ATOM 0 HG2 LYS A 50 27.941 -29.691 21.238 1.00 33.54 H new ATOM 0 HG3 LYS A 50 28.409 -29.920 22.911 1.00 33.54 H new ATOM 0 HD2 LYS A 50 30.359 -29.792 20.570 1.00 2.42 H new ATOM 0 HD3 LYS A 50 29.984 -28.446 21.628 1.00 2.42 H new ATOM 0 HE2 LYS A 50 30.787 -29.817 23.588 1.00 34.21 H new ATOM 0 HE3 LYS A 50 31.248 -31.089 22.473 1.00 34.21 H new ATOM 0 HZ1 LYS A 50 33.126 -29.692 23.033 1.00 45.23 H new ATOM 0 HZ2 LYS A 50 32.766 -29.544 21.381 1.00 45.23 H new ATOM 0 HZ3 LYS A 50 32.320 -28.312 22.461 1.00 45.23 H new ATOM 812 N THR A 51 26.433 -34.384 21.393 1.00 30.30 N ATOM 813 CA THR A 51 26.327 -35.825 21.109 1.00 12.33 C ATOM 814 C THR A 51 26.236 -36.106 19.607 1.00 35.14 C ATOM 815 O THR A 51 26.038 -35.195 18.799 1.00 62.34 O ATOM 816 CB THR A 51 25.080 -36.449 21.781 1.00 14.51 C ATOM 817 OG1 THR A 51 23.878 -35.878 21.232 1.00 25.10 O ATOM 818 CG2 THR A 51 25.105 -36.239 23.289 1.00 35.44 C ATOM 0 H THR A 51 25.633 -33.835 21.077 1.00 30.30 H new ATOM 0 HA THR A 51 27.234 -36.273 21.514 1.00 12.33 H new ATOM 0 HB THR A 51 25.095 -37.520 21.581 1.00 14.51 H new ATOM 0 HG1 THR A 51 23.097 -36.282 21.664 1.00 25.10 H new ATOM 0 HG21 THR A 51 24.217 -36.688 23.734 1.00 35.44 H new ATOM 0 HG22 THR A 51 25.996 -36.707 23.707 1.00 35.44 H new ATOM 0 HG23 THR A 51 25.120 -35.171 23.507 1.00 35.44 H new ATOM 826 N LEU A 52 26.370 -37.379 19.242 1.00 71.22 N ATOM 827 CA LEU A 52 26.184 -37.819 17.855 1.00 54.01 C ATOM 828 C LEU A 52 24.687 -37.975 17.539 1.00 41.32 C ATOM 829 O LEU A 52 24.294 -38.170 16.388 1.00 13.22 O ATOM 830 CB LEU A 52 26.913 -39.154 17.602 1.00 54.32 C ATOM 831 CG LEU A 52 28.453 -39.121 17.705 1.00 32.42 C ATOM 832 CD1 LEU A 52 29.036 -38.037 16.803 1.00 75.24 C ATOM 833 CD2 LEU A 52 28.914 -38.931 19.150 1.00 42.02 C ATOM 0 H LEU A 52 26.608 -38.130 19.889 1.00 71.22 H new ATOM 0 HA LEU A 52 26.610 -37.059 17.199 1.00 54.01 H new ATOM 0 HB2 LEU A 52 26.538 -39.889 18.314 1.00 54.32 H new ATOM 0 HB3 LEU A 52 26.644 -39.508 16.607 1.00 54.32 H new ATOM 0 HG LEU A 52 28.826 -40.087 17.364 1.00 32.42 H new ATOM 0 HD11 LEU A 52 30.122 -38.034 16.893 1.00 75.24 H new ATOM 0 HD12 LEU A 52 28.759 -38.237 15.768 1.00 75.24 H new ATOM 0 HD13 LEU A 52 28.644 -37.065 17.102 1.00 75.24 H new ATOM 0 HD21 LEU A 52 30.003 -38.913 19.185 1.00 42.02 H new ATOM 0 HD22 LEU A 52 28.523 -37.990 19.536 1.00 42.02 H new ATOM 0 HD23 LEU A 52 28.545 -39.755 19.761 1.00 42.02 H new ATOM 845 N ARG A 53 23.863 -37.896 18.584 1.00 20.35 N ATOM 846 CA ARG A 53 22.408 -38.024 18.454 1.00 62.11 C ATOM 847 C ARG A 53 21.747 -36.675 18.112 1.00 41.14 C ATOM 848 O ARG A 53 20.894 -36.596 17.225 1.00 31.23 O ATOM 849 CB ARG A 53 21.821 -38.573 19.762 1.00 3.12 C ATOM 850 CG ARG A 53 22.384 -39.933 20.172 1.00 13.13 C ATOM 851 CD ARG A 53 22.047 -41.021 19.158 1.00 21.15 C ATOM 852 NE ARG A 53 20.603 -41.162 18.965 1.00 5.20 N ATOM 853 CZ ARG A 53 20.053 -41.762 17.945 1.00 42.03 C ATOM 854 NH1 ARG A 53 20.783 -42.333 17.038 1.00 32.44 N ATOM 855 NH2 ARG A 53 18.768 -41.806 17.844 1.00 71.13 N ATOM 0 H ARG A 53 24.181 -37.742 19.541 1.00 20.35 H new ATOM 0 HA ARG A 53 22.202 -38.713 17.635 1.00 62.11 H new ATOM 0 HB2 ARG A 53 22.010 -37.857 20.562 1.00 3.12 H new ATOM 0 HB3 ARG A 53 20.739 -38.656 19.657 1.00 3.12 H new ATOM 0 HG2 ARG A 53 23.466 -39.860 20.279 1.00 13.13 H new ATOM 0 HG3 ARG A 53 21.985 -40.211 21.148 1.00 13.13 H new ATOM 0 HD2 ARG A 53 22.519 -40.786 18.204 1.00 21.15 H new ATOM 0 HD3 ARG A 53 22.462 -41.971 19.494 1.00 21.15 H new ATOM 0 HE ARG A 53 19.986 -40.765 19.674 1.00 5.20 H new ATOM 0 HH11 ARG A 53 21.800 -42.317 17.117 1.00 32.44 H new ATOM 0 HH12 ARG A 53 20.340 -42.799 16.246 1.00 32.44 H new ATOM 0 HH21 ARG A 53 18.185 -41.373 18.560 1.00 71.13 H new ATOM 0 HH22 ARG A 53 18.335 -42.274 17.048 1.00 71.13 H new ATOM 869 N GLY A 54 22.130 -35.623 18.838 1.00 31.33 N ATOM 870 CA GLY A 54 21.573 -34.292 18.599 1.00 1.43 C ATOM 871 C GLY A 54 20.103 -34.165 19.006 1.00 41.35 C ATOM 872 O GLY A 54 19.560 -35.038 19.691 1.00 0.44 O ATOM 0 H GLY A 54 22.818 -35.666 19.590 1.00 31.33 H new ATOM 0 HA2 GLY A 54 22.159 -33.557 19.150 1.00 1.43 H new ATOM 0 HA3 GLY A 54 21.671 -34.050 17.541 1.00 1.43 H new ATOM 876 N THR A 55 19.461 -33.070 18.596 1.00 55.25 N ATOM 877 CA THR A 55 18.031 -32.846 18.872 1.00 44.04 C ATOM 878 C THR A 55 17.277 -32.520 17.577 1.00 43.52 C ATOM 879 O THR A 55 17.546 -31.507 16.936 1.00 73.32 O ATOM 880 CB THR A 55 17.815 -31.685 19.877 1.00 52.12 C ATOM 881 OG1 THR A 55 18.584 -31.904 21.072 1.00 23.10 O ATOM 882 CG2 THR A 55 16.339 -31.542 20.246 1.00 24.32 C ATOM 0 H THR A 55 19.906 -32.319 18.069 1.00 55.25 H new ATOM 0 HA THR A 55 17.645 -33.767 19.309 1.00 44.04 H new ATOM 0 HB THR A 55 18.147 -30.766 19.394 1.00 52.12 H new ATOM 0 HG1 THR A 55 18.438 -31.162 21.695 1.00 23.10 H new ATOM 0 HG21 THR A 55 16.218 -30.720 20.952 1.00 24.32 H new ATOM 0 HG22 THR A 55 15.758 -31.337 19.347 1.00 24.32 H new ATOM 0 HG23 THR A 55 15.987 -32.467 20.702 1.00 24.32 H new ATOM 890 N THR A 56 16.336 -33.376 17.191 1.00 63.01 N ATOM 891 CA THR A 56 15.619 -33.209 15.917 1.00 11.12 C ATOM 892 C THR A 56 14.357 -32.349 16.071 1.00 64.14 C ATOM 893 O THR A 56 13.402 -32.735 16.752 1.00 65.11 O ATOM 894 CB THR A 56 15.220 -34.577 15.311 1.00 42.22 C ATOM 895 OG1 THR A 56 16.388 -35.400 15.126 1.00 10.13 O ATOM 896 CG2 THR A 56 14.496 -34.402 13.978 1.00 15.40 C ATOM 0 H THR A 56 16.048 -34.190 17.734 1.00 63.01 H new ATOM 0 HA THR A 56 16.311 -32.699 15.246 1.00 11.12 H new ATOM 0 HB THR A 56 14.540 -35.065 16.009 1.00 42.22 H new ATOM 0 HG1 THR A 56 16.123 -36.263 14.744 1.00 10.13 H new ATOM 0 HG21 THR A 56 14.229 -35.380 13.578 1.00 15.40 H new ATOM 0 HG22 THR A 56 13.592 -33.813 14.130 1.00 15.40 H new ATOM 0 HG23 THR A 56 15.150 -33.888 13.274 1.00 15.40 H new ATOM 904 N TRP A 57 14.357 -31.187 15.423 1.00 24.32 N ATOM 905 CA TRP A 57 13.202 -30.282 15.435 1.00 72.42 C ATOM 906 C TRP A 57 12.411 -30.387 14.121 1.00 73.51 C ATOM 907 O TRP A 57 12.992 -30.381 13.033 1.00 74.55 O ATOM 908 CB TRP A 57 13.661 -28.832 15.652 1.00 21.35 C ATOM 909 CG TRP A 57 14.243 -28.575 17.016 1.00 21.44 C ATOM 910 CD1 TRP A 57 15.391 -29.102 17.536 1.00 13.52 C ATOM 911 CD2 TRP A 57 13.707 -27.713 18.028 1.00 33.34 C ATOM 912 NE1 TRP A 57 15.602 -28.617 18.803 1.00 70.51 N ATOM 913 CE2 TRP A 57 14.581 -27.768 19.130 1.00 43.42 C ATOM 914 CE3 TRP A 57 12.573 -26.901 18.110 1.00 71.24 C ATOM 915 CZ2 TRP A 57 14.357 -27.043 20.296 1.00 74.21 C ATOM 916 CZ3 TRP A 57 12.350 -26.183 19.270 1.00 73.05 C ATOM 917 CH2 TRP A 57 13.239 -26.257 20.350 1.00 4.12 C ATOM 0 H TRP A 57 15.148 -30.845 14.878 1.00 24.32 H new ATOM 0 HA TRP A 57 12.551 -30.577 16.258 1.00 72.42 H new ATOM 0 HB2 TRP A 57 14.405 -28.580 14.897 1.00 21.35 H new ATOM 0 HB3 TRP A 57 12.812 -28.166 15.498 1.00 21.35 H new ATOM 0 HD1 TRP A 57 16.039 -29.799 17.025 1.00 13.52 H new ATOM 0 HE1 TRP A 57 16.392 -28.852 19.403 1.00 70.51 H new ATOM 0 HE3 TRP A 57 11.883 -26.835 17.282 1.00 71.24 H new ATOM 0 HZ2 TRP A 57 15.042 -27.099 21.129 1.00 74.21 H new ATOM 0 HZ3 TRP A 57 11.475 -25.554 19.345 1.00 73.05 H new ATOM 0 HH2 TRP A 57 13.038 -25.683 21.242 1.00 4.12 H new ATOM 928 N TYR A 58 11.090 -30.490 14.234 1.00 63.23 N ATOM 929 CA TYR A 58 10.207 -30.592 13.065 1.00 63.41 C ATOM 930 C TYR A 58 9.630 -29.219 12.678 1.00 53.12 C ATOM 931 O TYR A 58 9.321 -28.393 13.541 1.00 2.51 O ATOM 932 CB TYR A 58 9.057 -31.572 13.348 1.00 15.41 C ATOM 933 CG TYR A 58 9.512 -32.983 13.682 1.00 73.32 C ATOM 934 CD1 TYR A 58 9.905 -33.862 12.680 1.00 54.22 C ATOM 935 CD2 TYR A 58 9.542 -33.437 14.997 1.00 3.42 C ATOM 936 CE1 TYR A 58 10.316 -35.149 12.978 1.00 2.22 C ATOM 937 CE2 TYR A 58 9.950 -34.723 15.301 1.00 2.13 C ATOM 938 CZ TYR A 58 10.334 -35.575 14.289 1.00 62.44 C ATOM 939 OH TYR A 58 10.737 -36.861 14.589 1.00 73.44 O ATOM 0 H TYR A 58 10.600 -30.506 15.128 1.00 63.23 H new ATOM 0 HA TYR A 58 10.804 -30.963 12.232 1.00 63.41 H new ATOM 0 HB2 TYR A 58 8.462 -31.188 14.177 1.00 15.41 H new ATOM 0 HB3 TYR A 58 8.403 -31.609 12.477 1.00 15.41 H new ATOM 0 HD1 TYR A 58 9.889 -33.535 11.651 1.00 54.22 H new ATOM 0 HD2 TYR A 58 9.241 -32.773 15.794 1.00 3.42 H new ATOM 0 HE1 TYR A 58 10.622 -35.817 12.187 1.00 2.22 H new ATOM 0 HE2 TYR A 58 9.967 -35.058 16.328 1.00 2.13 H new ATOM 0 HH TYR A 58 10.922 -36.930 15.549 1.00 73.44 H new ATOM 949 N ASN A 59 9.488 -28.984 11.374 1.00 31.30 N ATOM 950 CA ASN A 59 8.909 -27.737 10.862 1.00 41.13 C ATOM 951 C ASN A 59 7.373 -27.781 10.878 1.00 31.24 C ATOM 952 O ASN A 59 6.750 -28.445 10.041 1.00 71.52 O ATOM 953 CB ASN A 59 9.394 -27.467 9.431 1.00 52.43 C ATOM 954 CG ASN A 59 10.901 -27.325 9.329 1.00 43.13 C ATOM 955 OD1 ASN A 59 11.651 -27.928 10.084 1.00 5.12 O ATOM 956 ND2 ASN A 59 11.358 -26.529 8.382 1.00 24.04 N ATOM 0 H ASN A 59 9.767 -29.643 10.647 1.00 31.30 H new ATOM 0 HA ASN A 59 9.240 -26.932 11.518 1.00 41.13 H new ATOM 0 HB2 ASN A 59 9.067 -28.281 8.784 1.00 52.43 H new ATOM 0 HB3 ASN A 59 8.924 -26.556 9.060 1.00 52.43 H new ATOM 0 HD21 ASN A 59 12.363 -26.402 8.263 1.00 24.04 H new ATOM 0 HD22 ASN A 59 10.706 -26.040 7.768 1.00 24.04 H new ATOM 963 N TYR A 60 6.764 -27.068 11.825 1.00 54.21 N ATOM 964 CA TYR A 60 5.300 -26.968 11.892 1.00 64.43 C ATOM 965 C TYR A 60 4.701 -26.417 10.578 1.00 20.22 C ATOM 966 O TYR A 60 3.710 -26.955 10.094 1.00 42.13 O ATOM 967 CB TYR A 60 4.852 -26.100 13.080 1.00 61.14 C ATOM 968 CG TYR A 60 3.340 -25.963 13.202 1.00 31.41 C ATOM 969 CD1 TYR A 60 2.570 -27.002 13.714 1.00 74.12 C ATOM 970 CD2 TYR A 60 2.684 -24.798 12.804 1.00 40.32 C ATOM 971 CE1 TYR A 60 1.196 -26.888 13.824 1.00 41.31 C ATOM 972 CE2 TYR A 60 1.310 -24.678 12.913 1.00 24.12 C ATOM 973 CZ TYR A 60 0.570 -25.725 13.423 1.00 65.32 C ATOM 974 OH TYR A 60 -0.802 -25.612 13.530 1.00 31.33 O ATOM 0 H TYR A 60 7.256 -26.552 12.555 1.00 54.21 H new ATOM 0 HA TYR A 60 4.923 -27.980 12.038 1.00 64.43 H new ATOM 0 HB2 TYR A 60 5.245 -26.530 14.001 1.00 61.14 H new ATOM 0 HB3 TYR A 60 5.291 -25.107 12.979 1.00 61.14 H new ATOM 0 HD1 TYR A 60 3.054 -27.914 14.031 1.00 74.12 H new ATOM 0 HD2 TYR A 60 3.259 -23.976 12.404 1.00 40.32 H new ATOM 0 HE1 TYR A 60 0.615 -27.706 14.222 1.00 41.31 H new ATOM 0 HE2 TYR A 60 0.819 -23.769 12.600 1.00 24.12 H new ATOM 0 HH TYR A 60 -1.084 -24.731 13.206 1.00 31.33 H new ATOM 984 N PRO A 61 5.276 -25.336 9.979 1.00 4.22 N ATOM 985 CA PRO A 61 4.807 -24.807 8.681 1.00 23.32 C ATOM 986 C PRO A 61 4.686 -25.892 7.594 1.00 43.23 C ATOM 987 O PRO A 61 3.718 -25.914 6.836 1.00 51.50 O ATOM 988 CB PRO A 61 5.884 -23.770 8.293 1.00 61.11 C ATOM 989 CG PRO A 61 7.009 -23.979 9.255 1.00 40.43 C ATOM 990 CD PRO A 61 6.387 -24.526 10.505 1.00 65.32 C ATOM 0 HA PRO A 61 3.804 -24.388 8.765 1.00 23.32 H new ATOM 0 HB2 PRO A 61 6.215 -23.915 7.265 1.00 61.11 H new ATOM 0 HB3 PRO A 61 5.493 -22.755 8.362 1.00 61.11 H new ATOM 0 HG2 PRO A 61 7.745 -24.673 8.850 1.00 40.43 H new ATOM 0 HG3 PRO A 61 7.530 -23.043 9.456 1.00 40.43 H new ATOM 0 HD2 PRO A 61 7.092 -25.128 11.079 1.00 65.32 H new ATOM 0 HD3 PRO A 61 6.034 -23.732 11.164 1.00 65.32 H new ATOM 998 N GLU A 62 5.666 -26.794 7.533 1.00 32.34 N ATOM 999 CA GLU A 62 5.667 -27.876 6.538 1.00 53.42 C ATOM 1000 C GLU A 62 4.512 -28.862 6.766 1.00 21.31 C ATOM 1001 O GLU A 62 3.794 -29.230 5.833 1.00 51.31 O ATOM 1002 CB GLU A 62 7.010 -28.622 6.574 1.00 11.15 C ATOM 1003 CG GLU A 62 8.192 -27.795 6.074 1.00 64.03 C ATOM 1004 CD GLU A 62 8.021 -27.330 4.636 1.00 61.13 C ATOM 1005 OE1 GLU A 62 8.176 -28.159 3.715 1.00 41.04 O ATOM 1006 OE2 GLU A 62 7.715 -26.139 4.420 1.00 41.10 O ATOM 0 H GLU A 62 6.471 -26.800 8.159 1.00 32.34 H new ATOM 0 HA GLU A 62 5.527 -27.423 5.556 1.00 53.42 H new ATOM 0 HB2 GLU A 62 7.210 -28.941 7.597 1.00 11.15 H new ATOM 0 HB3 GLU A 62 6.929 -29.525 5.969 1.00 11.15 H new ATOM 0 HG2 GLU A 62 8.320 -26.926 6.719 1.00 64.03 H new ATOM 0 HG3 GLU A 62 9.103 -28.388 6.153 1.00 64.03 H new ATOM 1013 N ILE A 63 4.338 -29.286 8.010 1.00 74.23 N ATOM 1014 CA ILE A 63 3.283 -30.240 8.361 1.00 20.50 C ATOM 1015 C ILE A 63 1.892 -29.580 8.298 1.00 72.53 C ATOM 1016 O ILE A 63 0.917 -30.197 7.870 1.00 15.44 O ATOM 1017 CB ILE A 63 3.533 -30.830 9.771 1.00 51.51 C ATOM 1018 CG1 ILE A 63 4.936 -31.461 9.826 1.00 64.02 C ATOM 1019 CG2 ILE A 63 2.458 -31.856 10.136 1.00 4.42 C ATOM 1020 CD1 ILE A 63 5.340 -31.956 11.199 1.00 24.31 C ATOM 0 H ILE A 63 4.913 -28.987 8.798 1.00 74.23 H new ATOM 0 HA ILE A 63 3.308 -31.049 7.631 1.00 20.50 H new ATOM 0 HB ILE A 63 3.478 -30.025 10.503 1.00 51.51 H new ATOM 0 HG12 ILE A 63 4.975 -32.295 9.125 1.00 64.02 H new ATOM 0 HG13 ILE A 63 5.666 -30.726 9.488 1.00 64.02 H new ATOM 0 HG21 ILE A 63 2.658 -32.254 11.131 1.00 4.42 H new ATOM 0 HG22 ILE A 63 1.479 -31.376 10.127 1.00 4.42 H new ATOM 0 HG23 ILE A 63 2.470 -32.669 9.410 1.00 4.42 H new ATOM 0 HD11 ILE A 63 6.341 -32.386 11.151 1.00 24.31 H new ATOM 0 HD12 ILE A 63 5.336 -31.123 11.902 1.00 24.31 H new ATOM 0 HD13 ILE A 63 4.634 -32.716 11.534 1.00 24.31 H new ATOM 1032 N ASN A 64 1.819 -28.316 8.713 1.00 63.12 N ATOM 1033 CA ASN A 64 0.589 -27.518 8.598 1.00 23.15 C ATOM 1034 C ASN A 64 0.205 -27.346 7.120 1.00 64.34 C ATOM 1035 O ASN A 64 -0.962 -27.462 6.745 1.00 54.43 O ATOM 1036 CB ASN A 64 0.784 -26.142 9.252 1.00 2.41 C ATOM 1037 CG ASN A 64 -0.475 -25.288 9.213 1.00 61.14 C ATOM 1038 OD1 ASN A 64 -0.733 -24.587 8.243 1.00 25.11 O ATOM 1039 ND2 ASN A 64 -1.261 -25.327 10.273 1.00 65.22 N ATOM 0 H ASN A 64 2.601 -27.816 9.136 1.00 63.12 H new ATOM 0 HA ASN A 64 -0.215 -28.042 9.114 1.00 23.15 H new ATOM 0 HB2 ASN A 64 1.094 -26.278 10.288 1.00 2.41 H new ATOM 0 HB3 ASN A 64 1.592 -25.614 8.744 1.00 2.41 H new ATOM 0 HD21 ASN A 64 -2.110 -24.763 10.299 1.00 65.22 H new ATOM 0 HD22 ASN A 64 -1.019 -25.921 11.066 1.00 65.22 H new ATOM 1046 N LYS A 65 1.211 -27.063 6.293 1.00 4.15 N ATOM 1047 CA LYS A 65 1.044 -26.989 4.838 1.00 30.34 C ATOM 1048 C LYS A 65 0.450 -28.297 4.289 1.00 70.24 C ATOM 1049 O LYS A 65 -0.400 -28.280 3.401 1.00 1.53 O ATOM 1050 CB LYS A 65 2.404 -26.693 4.187 1.00 72.00 C ATOM 1051 CG LYS A 65 2.400 -26.686 2.659 1.00 13.02 C ATOM 1052 CD LYS A 65 3.763 -26.279 2.096 1.00 61.41 C ATOM 1053 CE LYS A 65 4.889 -27.160 2.634 1.00 50.21 C ATOM 1054 NZ LYS A 65 6.225 -26.725 2.144 1.00 55.05 N ATOM 0 H LYS A 65 2.163 -26.879 6.610 1.00 4.15 H new ATOM 0 HA LYS A 65 0.348 -26.185 4.598 1.00 30.34 H new ATOM 0 HB2 LYS A 65 2.755 -25.723 4.539 1.00 72.00 H new ATOM 0 HB3 LYS A 65 3.124 -27.436 4.530 1.00 72.00 H new ATOM 0 HG2 LYS A 65 2.134 -27.677 2.290 1.00 13.02 H new ATOM 0 HG3 LYS A 65 1.636 -25.997 2.299 1.00 13.02 H new ATOM 0 HD2 LYS A 65 3.740 -26.344 1.008 1.00 61.41 H new ATOM 0 HD3 LYS A 65 3.964 -25.238 2.349 1.00 61.41 H new ATOM 0 HE2 LYS A 65 4.878 -27.136 3.724 1.00 50.21 H new ATOM 0 HE3 LYS A 65 4.713 -28.194 2.336 1.00 50.21 H new ATOM 0 HZ1 LYS A 65 6.788 -27.560 1.885 1.00 55.05 H new ATOM 0 HZ2 LYS A 65 6.107 -26.115 1.310 1.00 55.05 H new ATOM 0 HZ3 LYS A 65 6.714 -26.196 2.894 1.00 55.05 H new ATOM 1068 N PHE A 66 0.900 -29.427 4.838 1.00 64.03 N ATOM 1069 CA PHE A 66 0.347 -30.742 4.487 1.00 74.44 C ATOM 1070 C PHE A 66 -1.126 -30.868 4.920 1.00 15.13 C ATOM 1071 O PHE A 66 -1.976 -31.293 4.136 1.00 13.43 O ATOM 1072 CB PHE A 66 1.188 -31.857 5.134 1.00 64.21 C ATOM 1073 CG PHE A 66 0.617 -33.245 4.955 1.00 23.22 C ATOM 1074 CD1 PHE A 66 0.714 -33.902 3.736 1.00 74.51 C ATOM 1075 CD2 PHE A 66 -0.019 -33.890 6.008 1.00 71.31 C ATOM 1076 CE1 PHE A 66 0.190 -35.170 3.572 1.00 44.32 C ATOM 1077 CE2 PHE A 66 -0.545 -35.157 5.848 1.00 52.51 C ATOM 1078 CZ PHE A 66 -0.439 -35.799 4.629 1.00 52.34 C ATOM 0 H PHE A 66 1.648 -29.460 5.530 1.00 64.03 H new ATOM 0 HA PHE A 66 0.385 -30.845 3.403 1.00 74.44 H new ATOM 0 HB2 PHE A 66 2.192 -31.832 4.711 1.00 64.21 H new ATOM 0 HB3 PHE A 66 1.286 -31.651 6.200 1.00 64.21 H new ATOM 0 HD1 PHE A 66 1.205 -33.416 2.906 1.00 74.51 H new ATOM 0 HD2 PHE A 66 -0.103 -33.395 6.964 1.00 71.31 H new ATOM 0 HE1 PHE A 66 0.272 -35.669 2.618 1.00 44.32 H new ATOM 0 HE2 PHE A 66 -1.039 -35.646 6.675 1.00 52.51 H new ATOM 0 HZ PHE A 66 -0.847 -36.791 4.503 1.00 52.34 H new ATOM 1088 N ILE A 67 -1.420 -30.506 6.171 1.00 15.42 N ATOM 1089 CA ILE A 67 -2.794 -30.555 6.699 1.00 4.41 C ATOM 1090 C ILE A 67 -3.755 -29.703 5.849 1.00 53.44 C ATOM 1091 O ILE A 67 -4.861 -30.135 5.511 1.00 11.21 O ATOM 1092 CB ILE A 67 -2.851 -30.073 8.175 1.00 13.52 C ATOM 1093 CG1 ILE A 67 -1.967 -30.964 9.066 1.00 63.35 C ATOM 1094 CG2 ILE A 67 -4.291 -30.060 8.689 1.00 35.34 C ATOM 1095 CD1 ILE A 67 -1.914 -30.529 10.518 1.00 71.55 C ATOM 0 H ILE A 67 -0.727 -30.175 6.842 1.00 15.42 H new ATOM 0 HA ILE A 67 -3.110 -31.597 6.653 1.00 4.41 H new ATOM 0 HB ILE A 67 -2.468 -29.053 8.215 1.00 13.52 H new ATOM 0 HG12 ILE A 67 -2.337 -31.988 9.018 1.00 63.35 H new ATOM 0 HG13 ILE A 67 -0.954 -30.972 8.663 1.00 63.35 H new ATOM 0 HG21 ILE A 67 -4.305 -29.719 9.724 1.00 35.34 H new ATOM 0 HG22 ILE A 67 -4.890 -29.386 8.077 1.00 35.34 H new ATOM 0 HG23 ILE A 67 -4.706 -31.066 8.633 1.00 35.34 H new ATOM 0 HD11 ILE A 67 -1.271 -31.208 11.078 1.00 71.55 H new ATOM 0 HD12 ILE A 67 -1.514 -29.517 10.580 1.00 71.55 H new ATOM 0 HD13 ILE A 67 -2.918 -30.549 10.941 1.00 71.55 H new ATOM 1107 N ARG A 68 -3.322 -28.492 5.510 1.00 10.10 N ATOM 1108 CA ARG A 68 -4.107 -27.598 4.651 1.00 2.32 C ATOM 1109 C ARG A 68 -4.264 -28.181 3.235 1.00 1.12 C ATOM 1110 O ARG A 68 -5.375 -28.388 2.760 1.00 41.15 O ATOM 1111 CB ARG A 68 -3.438 -26.214 4.568 1.00 11.13 C ATOM 1112 CG ARG A 68 -3.436 -25.430 5.882 1.00 35.03 C ATOM 1113 CD ARG A 68 -2.673 -24.113 5.748 1.00 63.42 C ATOM 1114 NE ARG A 68 -3.193 -23.279 4.663 1.00 41.35 N ATOM 1115 CZ ARG A 68 -2.499 -22.923 3.611 1.00 52.50 C ATOM 1116 NH1 ARG A 68 -1.268 -23.305 3.464 1.00 73.13 N ATOM 1117 NH2 ARG A 68 -3.038 -22.180 2.703 1.00 70.03 N ATOM 0 H ARG A 68 -2.430 -28.103 5.816 1.00 10.10 H new ATOM 0 HA ARG A 68 -5.098 -27.496 5.094 1.00 2.32 H new ATOM 0 HB2 ARG A 68 -2.408 -26.342 4.234 1.00 11.13 H new ATOM 0 HB3 ARG A 68 -3.948 -25.623 3.808 1.00 11.13 H new ATOM 0 HG2 ARG A 68 -4.463 -25.227 6.187 1.00 35.03 H new ATOM 0 HG3 ARG A 68 -2.983 -26.035 6.667 1.00 35.03 H new ATOM 0 HD2 ARG A 68 -2.734 -23.563 6.687 1.00 63.42 H new ATOM 0 HD3 ARG A 68 -1.619 -24.323 5.569 1.00 63.42 H new ATOM 0 HE ARG A 68 -4.158 -22.954 4.731 1.00 41.35 H new ATOM 0 HH11 ARG A 68 -0.828 -23.891 4.173 1.00 73.13 H new ATOM 0 HH12 ARG A 68 -0.740 -23.019 2.639 1.00 73.13 H new ATOM 0 HH21 ARG A 68 -4.004 -21.870 2.805 1.00 70.03 H new ATOM 0 HH22 ARG A 68 -2.497 -21.903 1.884 1.00 70.03 H new ATOM 1131 N ASP A 69 -3.135 -28.465 2.587 1.00 63.13 N ATOM 1132 CA ASP A 69 -3.115 -28.909 1.187 1.00 12.10 C ATOM 1133 C ASP A 69 -3.927 -30.202 0.964 1.00 71.11 C ATOM 1134 O ASP A 69 -4.600 -30.350 -0.061 1.00 61.12 O ATOM 1135 CB ASP A 69 -1.661 -29.109 0.739 1.00 75.32 C ATOM 1136 CG ASP A 69 -1.534 -29.366 -0.753 1.00 61.45 C ATOM 1137 OD1 ASP A 69 -1.412 -28.386 -1.524 1.00 2.50 O ATOM 1138 OD2 ASP A 69 -1.554 -30.540 -1.168 1.00 54.14 O ATOM 0 H ASP A 69 -2.210 -28.395 3.012 1.00 63.13 H new ATOM 0 HA ASP A 69 -3.590 -28.134 0.586 1.00 12.10 H new ATOM 0 HB2 ASP A 69 -1.080 -28.225 1.001 1.00 75.32 H new ATOM 0 HB3 ASP A 69 -1.229 -29.948 1.285 1.00 75.32 H new ATOM 1143 N SER A 70 -3.868 -31.127 1.924 1.00 23.24 N ATOM 1144 CA SER A 70 -4.545 -32.428 1.790 1.00 51.34 C ATOM 1145 C SER A 70 -6.034 -32.348 2.162 1.00 71.34 C ATOM 1146 O SER A 70 -6.905 -32.549 1.313 1.00 41.13 O ATOM 1147 CB SER A 70 -3.857 -33.481 2.671 1.00 34.20 C ATOM 1148 OG SER A 70 -3.934 -33.131 4.045 1.00 23.32 O ATOM 0 H SER A 70 -3.362 -31.005 2.801 1.00 23.24 H new ATOM 0 HA SER A 70 -4.474 -32.717 0.741 1.00 51.34 H new ATOM 0 HB2 SER A 70 -4.325 -34.453 2.514 1.00 34.20 H new ATOM 0 HB3 SER A 70 -2.812 -33.579 2.376 1.00 34.20 H new ATOM 0 HG SER A 70 -3.126 -32.640 4.303 1.00 23.32 H new ATOM 1154 N LEU A 71 -6.322 -32.043 3.426 1.00 3.24 N ATOM 1155 CA LEU A 71 -7.706 -32.016 3.922 1.00 55.33 C ATOM 1156 C LEU A 71 -8.475 -30.778 3.428 1.00 60.41 C ATOM 1157 O LEU A 71 -9.633 -30.877 3.013 1.00 42.52 O ATOM 1158 CB LEU A 71 -7.713 -32.055 5.458 1.00 33.11 C ATOM 1159 CG LEU A 71 -9.103 -32.099 6.115 1.00 3.24 C ATOM 1160 CD1 LEU A 71 -9.846 -33.374 5.734 1.00 54.34 C ATOM 1161 CD2 LEU A 71 -8.986 -31.970 7.631 1.00 70.31 C ATOM 0 H LEU A 71 -5.620 -31.811 4.128 1.00 3.24 H new ATOM 0 HA LEU A 71 -8.212 -32.897 3.527 1.00 55.33 H new ATOM 0 HB2 LEU A 71 -7.149 -32.929 5.784 1.00 33.11 H new ATOM 0 HB3 LEU A 71 -7.183 -31.177 5.828 1.00 33.11 H new ATOM 0 HG LEU A 71 -9.680 -31.252 5.745 1.00 3.24 H new ATOM 0 HD11 LEU A 71 -10.826 -33.381 6.211 1.00 54.34 H new ATOM 0 HD12 LEU A 71 -9.969 -33.414 4.652 1.00 54.34 H new ATOM 0 HD13 LEU A 71 -9.275 -34.241 6.066 1.00 54.34 H new ATOM 0 HD21 LEU A 71 -9.980 -32.003 8.077 1.00 70.31 H new ATOM 0 HD22 LEU A 71 -8.386 -32.792 8.021 1.00 70.31 H new ATOM 0 HD23 LEU A 71 -8.508 -31.022 7.880 1.00 70.31 H new ATOM 1173 N GLU A 72 -7.819 -29.622 3.479 1.00 12.40 N ATOM 1174 CA GLU A 72 -8.434 -28.339 3.113 1.00 12.23 C ATOM 1175 C GLU A 72 -9.724 -28.038 3.891 1.00 22.24 C ATOM 1176 O GLU A 72 -10.834 -28.186 3.372 1.00 21.20 O ATOM 1177 CB GLU A 72 -8.682 -28.252 1.593 1.00 72.44 C ATOM 1178 CG GLU A 72 -7.604 -27.483 0.836 1.00 41.20 C ATOM 1179 CD GLU A 72 -7.635 -25.983 1.119 1.00 51.43 C ATOM 1180 OE1 GLU A 72 -7.232 -25.562 2.228 1.00 11.44 O ATOM 1181 OE2 GLU A 72 -8.068 -25.214 0.233 1.00 12.52 O ATOM 0 H GLU A 72 -6.846 -29.543 3.775 1.00 12.40 H new ATOM 0 HA GLU A 72 -7.714 -27.571 3.397 1.00 12.23 H new ATOM 0 HB2 GLU A 72 -8.748 -29.261 1.187 1.00 72.44 H new ATOM 0 HB3 GLU A 72 -9.646 -27.774 1.418 1.00 72.44 H new ATOM 0 HG2 GLU A 72 -6.625 -27.879 1.106 1.00 41.20 H new ATOM 0 HG3 GLU A 72 -7.730 -27.649 -0.234 1.00 41.20 H new ATOM 1188 N HIS A 73 -9.569 -27.624 5.145 1.00 32.43 N ATOM 1189 CA HIS A 73 -10.685 -27.062 5.901 1.00 22.43 C ATOM 1190 C HIS A 73 -10.886 -25.604 5.472 1.00 22.42 C ATOM 1191 O HIS A 73 -10.086 -24.731 5.808 1.00 3.43 O ATOM 1192 CB HIS A 73 -10.452 -27.180 7.421 1.00 53.21 C ATOM 1193 CG HIS A 73 -9.110 -26.693 7.891 1.00 30.45 C ATOM 1194 ND1 HIS A 73 -8.051 -27.538 8.144 1.00 71.40 N ATOM 1195 CD2 HIS A 73 -8.658 -25.444 8.167 1.00 43.45 C ATOM 1196 CE1 HIS A 73 -7.014 -26.835 8.551 1.00 45.31 C ATOM 1197 NE2 HIS A 73 -7.352 -25.565 8.575 1.00 54.43 N ATOM 0 H HIS A 73 -8.688 -27.666 5.657 1.00 32.43 H new ATOM 0 HA HIS A 73 -11.591 -27.628 5.684 1.00 22.43 H new ATOM 0 HB2 HIS A 73 -11.229 -26.617 7.939 1.00 53.21 H new ATOM 0 HB3 HIS A 73 -10.567 -28.224 7.712 1.00 53.21 H new ATOM 0 HD2 HIS A 73 -9.220 -24.526 8.082 1.00 43.45 H new ATOM 0 HE1 HIS A 73 -6.048 -27.235 8.820 1.00 45.31 H new ATOM 0 HE2 HIS A 73 -6.743 -24.795 8.852 1.00 54.43 H new ATOM 1206 N HIS A 74 -11.942 -25.363 4.701 1.00 44.50 N ATOM 1207 CA HIS A 74 -12.143 -24.073 4.030 1.00 10.23 C ATOM 1208 C HIS A 74 -12.182 -22.905 5.025 1.00 25.23 C ATOM 1209 O HIS A 74 -13.247 -22.528 5.523 1.00 24.23 O ATOM 1210 CB HIS A 74 -13.426 -24.106 3.194 1.00 13.31 C ATOM 1211 CG HIS A 74 -13.545 -25.330 2.338 1.00 72.42 C ATOM 1212 ND1 HIS A 74 -12.782 -25.541 1.210 1.00 32.04 N ATOM 1213 CD2 HIS A 74 -14.338 -26.421 2.458 1.00 53.40 C ATOM 1214 CE1 HIS A 74 -13.103 -26.702 0.675 1.00 21.41 C ATOM 1215 NE2 HIS A 74 -14.042 -27.254 1.412 1.00 22.51 N ATOM 0 H HIS A 74 -12.678 -26.046 4.522 1.00 44.50 H new ATOM 0 HA HIS A 74 -11.289 -23.909 3.372 1.00 10.23 H new ATOM 0 HB2 HIS A 74 -14.287 -24.052 3.860 1.00 13.31 H new ATOM 0 HB3 HIS A 74 -13.460 -23.222 2.558 1.00 13.31 H new ATOM 0 HD2 HIS A 74 -15.068 -26.601 3.234 1.00 53.40 H new ATOM 0 HE1 HIS A 74 -12.669 -27.128 -0.217 1.00 21.41 H new ATOM 0 HE2 HIS A 74 -14.480 -28.158 1.233 1.00 22.51 H new ATOM 1224 N HIS A 75 -11.011 -22.330 5.299 1.00 23.40 N ATOM 1225 CA HIS A 75 -10.880 -21.288 6.320 1.00 54.12 C ATOM 1226 C HIS A 75 -11.598 -19.983 5.937 1.00 61.34 C ATOM 1227 O HIS A 75 -11.853 -19.143 6.796 1.00 62.21 O ATOM 1228 CB HIS A 75 -9.404 -21.013 6.632 1.00 75.51 C ATOM 1229 CG HIS A 75 -9.219 -20.017 7.736 1.00 1.21 C ATOM 1230 ND1 HIS A 75 -9.872 -20.113 8.949 1.00 53.01 N ATOM 1231 CD2 HIS A 75 -8.483 -18.884 7.797 1.00 2.02 C ATOM 1232 CE1 HIS A 75 -9.546 -19.084 9.702 1.00 25.44 C ATOM 1233 NE2 HIS A 75 -8.708 -18.326 9.029 1.00 0.14 N ATOM 0 H HIS A 75 -10.138 -22.568 4.828 1.00 23.40 H new ATOM 0 HA HIS A 75 -11.370 -21.670 7.216 1.00 54.12 H new ATOM 0 HB2 HIS A 75 -8.915 -21.948 6.907 1.00 75.51 H new ATOM 0 HB3 HIS A 75 -8.909 -20.647 5.732 1.00 75.51 H new ATOM 0 HD1 HIS A 75 -10.507 -20.864 9.219 1.00 53.01 H new ATOM 0 HD2 HIS A 75 -7.840 -18.493 7.022 1.00 2.02 H new ATOM 0 HE1 HIS A 75 -9.906 -18.894 10.703 1.00 25.44 H new ATOM 1242 N HIS A 76 -11.929 -19.808 4.656 1.00 44.54 N ATOM 1243 CA HIS A 76 -12.743 -18.655 4.240 1.00 33.01 C ATOM 1244 C HIS A 76 -14.185 -18.776 4.767 1.00 21.13 C ATOM 1245 O HIS A 76 -15.006 -17.883 4.575 1.00 5.24 O ATOM 1246 CB HIS A 76 -12.725 -18.483 2.713 1.00 11.40 C ATOM 1247 CG HIS A 76 -11.470 -17.838 2.206 1.00 35.32 C ATOM 1248 ND1 HIS A 76 -10.566 -18.470 1.381 1.00 72.31 N ATOM 1249 CD2 HIS A 76 -10.979 -16.592 2.406 1.00 11.22 C ATOM 1250 CE1 HIS A 76 -9.576 -17.646 1.101 1.00 75.01 C ATOM 1251 NE2 HIS A 76 -9.803 -16.503 1.708 1.00 23.33 N ATOM 0 H HIS A 76 -11.654 -20.434 3.899 1.00 44.54 H new ATOM 0 HA HIS A 76 -12.300 -17.761 4.679 1.00 33.01 H new ATOM 0 HB2 HIS A 76 -12.840 -19.460 2.242 1.00 11.40 H new ATOM 0 HB3 HIS A 76 -13.582 -17.881 2.411 1.00 11.40 H new ATOM 0 HD2 HIS A 76 -11.430 -15.814 3.004 1.00 11.22 H new ATOM 0 HE1 HIS A 76 -8.723 -17.872 0.478 1.00 75.01 H new ATOM 0 HE2 HIS A 76 -9.200 -15.681 1.666 1.00 23.33 H new ATOM 1260 N HIS A 77 -14.481 -19.900 5.422 1.00 21.33 N ATOM 1261 CA HIS A 77 -15.727 -20.070 6.176 1.00 22.04 C ATOM 1262 C HIS A 77 -15.425 -20.475 7.632 1.00 53.33 C ATOM 1263 O HIS A 77 -15.851 -19.803 8.574 1.00 52.41 O ATOM 1264 CB HIS A 77 -16.633 -21.121 5.517 1.00 12.23 C ATOM 1265 CG HIS A 77 -17.177 -20.709 4.179 1.00 30.23 C ATOM 1266 ND1 HIS A 77 -17.353 -21.590 3.134 1.00 74.04 N ATOM 1267 CD2 HIS A 77 -17.610 -19.506 3.724 1.00 72.22 C ATOM 1268 CE1 HIS A 77 -17.864 -20.952 2.100 1.00 52.24 C ATOM 1269 NE2 HIS A 77 -18.029 -19.689 2.431 1.00 21.22 N ATOM 0 H HIS A 77 -13.868 -20.715 5.446 1.00 21.33 H new ATOM 0 HA HIS A 77 -16.251 -19.114 6.174 1.00 22.04 H new ATOM 0 HB2 HIS A 77 -16.071 -22.047 5.399 1.00 12.23 H new ATOM 0 HB3 HIS A 77 -17.467 -21.337 6.185 1.00 12.23 H new ATOM 0 HD2 HIS A 77 -17.622 -18.578 4.277 1.00 72.22 H new ATOM 0 HE1 HIS A 77 -18.106 -21.391 1.144 1.00 52.24 H new ATOM 0 HE2 HIS A 77 -18.408 -18.963 1.823 1.00 21.22 H new ATOM 1278 N HIS A 78 -14.670 -21.565 7.806 1.00 33.51 N ATOM 1279 CA HIS A 78 -14.337 -22.085 9.144 1.00 74.54 C ATOM 1280 C HIS A 78 -12.824 -21.968 9.453 1.00 0.12 C ATOM 1281 O HIS A 78 -12.412 -20.966 10.087 1.00 37.48 O ATOM 1282 CB HIS A 78 -14.794 -23.548 9.256 1.00 13.42 C ATOM 1283 CG HIS A 78 -14.668 -24.119 10.631 1.00 42.25 C ATOM 1284 ND1 HIS A 78 -13.585 -24.864 11.047 1.00 2.04 N ATOM 1285 CD2 HIS A 78 -15.508 -24.059 11.689 1.00 44.14 C ATOM 1286 CE1 HIS A 78 -13.767 -25.236 12.298 1.00 51.11 C ATOM 1287 NE2 HIS A 78 -14.923 -24.760 12.711 1.00 22.13 N ATOM 1288 OXT HIS A 78 -12.055 -22.874 9.067 1.00 37.48 O ATOM 0 H HIS A 78 -14.276 -22.108 7.038 1.00 33.51 H new ATOM 0 HA HIS A 78 -14.863 -21.478 9.881 1.00 74.54 H new ATOM 0 HB2 HIS A 78 -15.834 -23.619 8.938 1.00 13.42 H new ATOM 0 HB3 HIS A 78 -14.208 -24.155 8.566 1.00 13.42 H new ATOM 0 HD2 HIS A 78 -16.462 -23.553 11.722 1.00 44.14 H new ATOM 0 HE1 HIS A 78 -13.083 -25.831 12.885 1.00 51.11 H new ATOM 0 HE2 HIS A 78 -15.319 -24.892 13.642 1.00 22.13 H new TER 1297 HIS A 78