USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 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 26 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.9!) USER MOD Set 1.2: A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0672 (180deg=-0.0245) USER MOD Single : A 3 GLN : amide:sc= -1.04 K(o=-1,f=-0.09) USER MOD Single : A 7 ASN : amide:sc= -0.785 K(o=-0.78,f=-0.26) USER MOD Single : A 11 MET CE :methyl -148:sc= -2.56 (180deg=-5.73!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 162:sc= -0.311 (180deg=-1.28) USER MOD Single : A 20 THR OG1 : rot -74:sc= 0.869 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0439 X(o=-0.044,f=-0.22) USER MOD Single : A 40 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-0.34) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 29:sc= 0.689 USER MOD Single : A 47 SER OG : rot 172:sc= -0.121 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 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 30:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.45 K(o=-1.4,f=-6.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 1.01 (180deg=0.828) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.81 K(o=-0.81,f=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.423 K(o=0.42,f=-2.7!) USER MOD Single : A 75 HIS : no HD1:sc= -0.0648 X(o=-0.065,f=-0.14) 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 X(o=0,f=-0.065) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.004 -6.848 -4.254 1.00 13.13 N ATOM 2 CA MET A 1 7.566 -7.228 -4.237 1.00 52.11 C ATOM 3 C MET A 1 7.311 -8.400 -3.275 1.00 35.42 C ATOM 4 O MET A 1 8.157 -8.720 -2.442 1.00 45.21 O ATOM 5 CB MET A 1 7.093 -7.583 -5.657 1.00 10.23 C ATOM 6 CG MET A 1 7.113 -6.403 -6.624 1.00 3.15 C ATOM 7 SD MET A 1 6.375 -6.798 -8.223 1.00 33.50 S ATOM 8 CE MET A 1 6.495 -5.213 -9.054 1.00 32.42 C ATOM 0 H1 MET A 1 9.094 -5.823 -4.102 1.00 13.13 H new ATOM 0 H2 MET A 1 9.506 -7.356 -3.498 1.00 13.13 H new ATOM 0 H3 MET A 1 9.418 -7.099 -5.174 1.00 13.13 H new ATOM 0 HA MET A 1 6.994 -6.372 -3.879 1.00 52.11 H new ATOM 0 HB2 MET A 1 7.726 -8.377 -6.053 1.00 10.23 H new ATOM 0 HB3 MET A 1 6.079 -7.980 -5.604 1.00 10.23 H new ATOM 0 HG2 MET A 1 6.577 -5.565 -6.179 1.00 3.15 H new ATOM 0 HG3 MET A 1 8.143 -6.079 -6.774 1.00 3.15 H new ATOM 0 HE1 MET A 1 6.078 -5.296 -10.058 1.00 32.42 H new ATOM 0 HE2 MET A 1 5.939 -4.464 -8.491 1.00 32.42 H new ATOM 0 HE3 MET A 1 7.541 -4.915 -9.119 1.00 32.42 H new ATOM 20 N ALA A 2 6.139 -9.028 -3.397 1.00 52.22 N ATOM 21 CA ALA A 2 5.721 -10.110 -2.491 1.00 74.32 C ATOM 22 C ALA A 2 6.740 -11.265 -2.410 1.00 63.05 C ATOM 23 O ALA A 2 7.327 -11.669 -3.418 1.00 61.55 O ATOM 24 CB ALA A 2 4.359 -10.647 -2.922 1.00 63.34 C ATOM 0 H ALA A 2 5.455 -8.806 -4.120 1.00 52.22 H new ATOM 0 HA ALA A 2 5.659 -9.678 -1.492 1.00 74.32 H new ATOM 0 HB1 ALA A 2 4.054 -11.448 -2.248 1.00 63.34 H new ATOM 0 HB2 ALA A 2 3.623 -9.843 -2.887 1.00 63.34 H new ATOM 0 HB3 ALA A 2 4.426 -11.034 -3.939 1.00 63.34 H new ATOM 30 N GLN A 3 6.929 -11.789 -1.196 1.00 32.03 N ATOM 31 CA GLN A 3 7.808 -12.941 -0.952 1.00 22.54 C ATOM 32 C GLN A 3 7.546 -13.534 0.444 1.00 75.41 C ATOM 33 O GLN A 3 7.414 -12.801 1.428 1.00 1.53 O ATOM 34 CB GLN A 3 9.286 -12.536 -1.085 1.00 21.42 C ATOM 35 CG GLN A 3 10.263 -13.704 -0.939 1.00 54.50 C ATOM 36 CD GLN A 3 11.716 -13.312 -1.175 1.00 43.31 C ATOM 37 OE1 GLN A 3 12.631 -13.890 -0.595 1.00 20.51 O ATOM 38 NE2 GLN A 3 11.948 -12.346 -2.043 1.00 41.22 N ATOM 0 H GLN A 3 6.479 -11.429 -0.354 1.00 32.03 H new ATOM 0 HA GLN A 3 7.587 -13.700 -1.702 1.00 22.54 H new ATOM 0 HB2 GLN A 3 9.438 -12.067 -2.057 1.00 21.42 H new ATOM 0 HB3 GLN A 3 9.517 -11.785 -0.329 1.00 21.42 H new ATOM 0 HG2 GLN A 3 10.166 -14.126 0.061 1.00 54.50 H new ATOM 0 HG3 GLN A 3 9.987 -14.489 -1.644 1.00 54.50 H new ATOM 0 HE21 GLN A 3 11.169 -11.883 -2.511 1.00 41.22 H new ATOM 0 HE22 GLN A 3 12.906 -12.063 -2.246 1.00 41.22 H new ATOM 47 N ILE A 4 7.466 -14.862 0.528 1.00 40.11 N ATOM 48 CA ILE A 4 7.159 -15.538 1.796 1.00 52.31 C ATOM 49 C ILE A 4 8.290 -15.365 2.827 1.00 74.11 C ATOM 50 O ILE A 4 9.292 -16.088 2.808 1.00 13.23 O ATOM 51 CB ILE A 4 6.869 -17.048 1.578 1.00 42.32 C ATOM 52 CG1 ILE A 4 5.704 -17.233 0.588 1.00 61.21 C ATOM 53 CG2 ILE A 4 6.561 -17.743 2.908 1.00 54.13 C ATOM 54 CD1 ILE A 4 4.401 -16.604 1.044 1.00 22.32 C ATOM 0 H ILE A 4 7.608 -15.492 -0.261 1.00 40.11 H new ATOM 0 HA ILE A 4 6.261 -15.063 2.192 1.00 52.31 H new ATOM 0 HB ILE A 4 7.761 -17.509 1.155 1.00 42.32 H new ATOM 0 HG12 ILE A 4 5.986 -16.804 -0.373 1.00 61.21 H new ATOM 0 HG13 ILE A 4 5.544 -18.299 0.426 1.00 61.21 H new ATOM 0 HG21 ILE A 4 6.361 -18.799 2.729 1.00 54.13 H new ATOM 0 HG22 ILE A 4 7.416 -17.644 3.577 1.00 54.13 H new ATOM 0 HG23 ILE A 4 5.686 -17.281 3.366 1.00 54.13 H new ATOM 0 HD11 ILE A 4 3.631 -16.778 0.293 1.00 22.32 H new ATOM 0 HD12 ILE A 4 4.093 -17.050 1.990 1.00 22.32 H new ATOM 0 HD13 ILE A 4 4.542 -15.531 1.178 1.00 22.32 H new ATOM 66 N ILE A 5 8.119 -14.390 3.718 1.00 1.33 N ATOM 67 CA ILE A 5 9.100 -14.090 4.772 1.00 44.01 C ATOM 68 C ILE A 5 8.401 -13.977 6.143 1.00 10.42 C ATOM 69 O ILE A 5 7.278 -13.476 6.228 1.00 53.33 O ATOM 70 CB ILE A 5 9.857 -12.762 4.470 1.00 5.21 C ATOM 71 CG1 ILE A 5 10.551 -12.816 3.096 1.00 54.24 C ATOM 72 CG2 ILE A 5 10.876 -12.450 5.564 1.00 62.14 C ATOM 73 CD1 ILE A 5 11.654 -13.851 2.994 1.00 45.22 C ATOM 0 H ILE A 5 7.299 -13.783 3.734 1.00 1.33 H new ATOM 0 HA ILE A 5 9.819 -14.909 4.797 1.00 44.01 H new ATOM 0 HB ILE A 5 9.117 -11.962 4.449 1.00 5.21 H new ATOM 0 HG12 ILE A 5 9.802 -13.024 2.332 1.00 54.24 H new ATOM 0 HG13 ILE A 5 10.969 -11.834 2.874 1.00 54.24 H new ATOM 0 HG21 ILE A 5 11.390 -11.518 5.328 1.00 62.14 H new ATOM 0 HG22 ILE A 5 10.363 -12.349 6.521 1.00 62.14 H new ATOM 0 HG23 ILE A 5 11.603 -13.260 5.625 1.00 62.14 H new ATOM 0 HD11 ILE A 5 12.089 -13.822 1.995 1.00 45.22 H new ATOM 0 HD12 ILE A 5 12.426 -13.634 3.732 1.00 45.22 H new ATOM 0 HD13 ILE A 5 11.241 -14.842 3.181 1.00 45.22 H new ATOM 85 N PHE A 6 9.070 -14.447 7.202 1.00 0.21 N ATOM 86 CA PHE A 6 8.519 -14.428 8.573 1.00 13.35 C ATOM 87 C PHE A 6 7.281 -15.338 8.715 1.00 72.04 C ATOM 88 O PHE A 6 6.439 -15.131 9.596 1.00 10.23 O ATOM 89 CB PHE A 6 8.167 -12.992 9.014 1.00 61.42 C ATOM 90 CG PHE A 6 9.359 -12.071 9.133 1.00 70.30 C ATOM 91 CD1 PHE A 6 10.389 -12.359 10.016 1.00 61.32 C ATOM 92 CD2 PHE A 6 9.446 -10.917 8.366 1.00 1.32 C ATOM 93 CE1 PHE A 6 11.482 -11.519 10.129 1.00 42.13 C ATOM 94 CE2 PHE A 6 10.536 -10.074 8.475 1.00 3.53 C ATOM 95 CZ PHE A 6 11.554 -10.375 9.359 1.00 60.01 C ATOM 0 H PHE A 6 10.005 -14.851 7.140 1.00 0.21 H new ATOM 0 HA PHE A 6 9.300 -14.818 9.226 1.00 13.35 H new ATOM 0 HB2 PHE A 6 7.463 -12.566 8.299 1.00 61.42 H new ATOM 0 HB3 PHE A 6 7.657 -13.034 9.976 1.00 61.42 H new ATOM 0 HD1 PHE A 6 10.337 -13.251 10.623 1.00 61.32 H new ATOM 0 HD2 PHE A 6 8.652 -10.675 7.675 1.00 1.32 H new ATOM 0 HE1 PHE A 6 12.278 -11.758 10.819 1.00 42.13 H new ATOM 0 HE2 PHE A 6 10.592 -9.181 7.870 1.00 3.53 H new ATOM 0 HZ PHE A 6 12.405 -9.716 9.448 1.00 60.01 H new ATOM 105 N ASN A 7 7.193 -16.365 7.875 1.00 14.02 N ATOM 106 CA ASN A 7 6.050 -17.292 7.888 1.00 72.12 C ATOM 107 C ASN A 7 6.476 -18.681 8.414 1.00 34.43 C ATOM 108 O ASN A 7 5.740 -19.662 8.297 1.00 32.05 O ATOM 109 CB ASN A 7 5.474 -17.407 6.466 1.00 32.40 C ATOM 110 CG ASN A 7 4.069 -17.988 6.435 1.00 51.42 C ATOM 111 OD1 ASN A 7 3.081 -17.260 6.487 1.00 2.54 O ATOM 112 ND2 ASN A 7 3.963 -19.301 6.360 1.00 43.32 N ATOM 0 H ASN A 7 7.899 -16.583 7.172 1.00 14.02 H new ATOM 0 HA ASN A 7 5.283 -16.903 8.558 1.00 72.12 H new ATOM 0 HB2 ASN A 7 5.462 -16.420 6.005 1.00 32.40 H new ATOM 0 HB3 ASN A 7 6.133 -18.033 5.863 1.00 32.40 H new ATOM 0 HD21 ASN A 7 3.042 -19.738 6.344 1.00 43.32 H new ATOM 0 HD22 ASN A 7 4.802 -19.879 6.318 1.00 43.32 H new ATOM 119 N GLU A 8 7.671 -18.751 9.001 1.00 54.14 N ATOM 120 CA GLU A 8 8.234 -20.021 9.478 1.00 22.13 C ATOM 121 C GLU A 8 7.744 -20.366 10.895 1.00 3.53 C ATOM 122 O GLU A 8 8.188 -19.776 11.883 1.00 1.44 O ATOM 123 CB GLU A 8 9.772 -19.976 9.463 1.00 0.31 C ATOM 124 CG GLU A 8 10.382 -19.591 8.116 1.00 21.54 C ATOM 125 CD GLU A 8 10.245 -18.108 7.804 1.00 43.23 C ATOM 126 OE1 GLU A 8 10.926 -17.293 8.463 1.00 45.44 O ATOM 127 OE2 GLU A 8 9.452 -17.746 6.909 1.00 32.44 O ATOM 0 H GLU A 8 8.272 -17.942 9.159 1.00 54.14 H new ATOM 0 HA GLU A 8 7.888 -20.799 8.797 1.00 22.13 H new ATOM 0 HB2 GLU A 8 10.109 -19.265 10.217 1.00 0.31 H new ATOM 0 HB3 GLU A 8 10.154 -20.954 9.754 1.00 0.31 H new ATOM 0 HG2 GLU A 8 11.438 -19.862 8.111 1.00 21.54 H new ATOM 0 HG3 GLU A 8 9.901 -20.169 7.327 1.00 21.54 H new ATOM 134 N GLU A 9 6.822 -21.323 10.983 1.00 74.14 N ATOM 135 CA GLU A 9 6.300 -21.792 12.271 1.00 42.43 C ATOM 136 C GLU A 9 6.952 -23.127 12.674 1.00 0.30 C ATOM 137 O GLU A 9 6.864 -24.118 11.945 1.00 32.22 O ATOM 138 CB GLU A 9 4.779 -21.957 12.179 1.00 45.03 C ATOM 139 CG GLU A 9 4.107 -22.349 13.490 1.00 45.24 C ATOM 140 CD GLU A 9 4.191 -21.265 14.554 1.00 73.22 C ATOM 141 OE1 GLU A 9 3.335 -20.354 14.551 1.00 21.33 O ATOM 142 OE2 GLU A 9 5.103 -21.321 15.407 1.00 5.33 O ATOM 0 H GLU A 9 6.417 -21.793 10.173 1.00 74.14 H new ATOM 0 HA GLU A 9 6.540 -21.052 13.035 1.00 42.43 H new ATOM 0 HB2 GLU A 9 4.345 -21.021 11.828 1.00 45.03 H new ATOM 0 HB3 GLU A 9 4.553 -22.714 11.428 1.00 45.03 H new ATOM 0 HG2 GLU A 9 3.059 -22.581 13.299 1.00 45.24 H new ATOM 0 HG3 GLU A 9 4.571 -23.259 13.870 1.00 45.24 H new ATOM 149 N TRP A 10 7.604 -23.148 13.836 1.00 44.41 N ATOM 150 CA TRP A 10 8.322 -24.343 14.307 1.00 44.43 C ATOM 151 C TRP A 10 7.802 -24.805 15.682 1.00 41.02 C ATOM 152 O TRP A 10 7.519 -23.981 16.556 1.00 3.31 O ATOM 153 CB TRP A 10 9.826 -24.043 14.421 1.00 70.32 C ATOM 154 CG TRP A 10 10.434 -23.443 13.187 1.00 34.01 C ATOM 155 CD1 TRP A 10 10.548 -22.112 12.892 1.00 12.52 C ATOM 156 CD2 TRP A 10 11.018 -24.148 12.087 1.00 71.41 C ATOM 157 NE1 TRP A 10 11.168 -21.951 11.679 1.00 50.11 N ATOM 158 CE2 TRP A 10 11.464 -23.183 11.164 1.00 50.41 C ATOM 159 CE3 TRP A 10 11.207 -25.499 11.791 1.00 61.12 C ATOM 160 CZ2 TRP A 10 12.087 -23.524 9.970 1.00 13.13 C ATOM 161 CZ3 TRP A 10 11.828 -25.837 10.604 1.00 31.42 C ATOM 162 CH2 TRP A 10 12.262 -24.852 9.706 1.00 12.21 C ATOM 0 H TRP A 10 7.653 -22.353 14.473 1.00 44.41 H new ATOM 0 HA TRP A 10 8.151 -25.138 13.581 1.00 44.43 H new ATOM 0 HB2 TRP A 10 9.986 -23.363 15.258 1.00 70.32 H new ATOM 0 HB3 TRP A 10 10.352 -24.968 14.657 1.00 70.32 H new ATOM 0 HD1 TRP A 10 10.201 -21.306 13.522 1.00 12.52 H new ATOM 0 HE1 TRP A 10 11.375 -21.057 11.233 1.00 50.11 H new ATOM 0 HE3 TRP A 10 10.874 -26.265 12.476 1.00 61.12 H new ATOM 0 HZ2 TRP A 10 12.421 -22.766 9.276 1.00 13.13 H new ATOM 0 HZ3 TRP A 10 11.982 -26.879 10.364 1.00 31.42 H new ATOM 0 HH2 TRP A 10 12.745 -25.150 8.787 1.00 12.21 H new ATOM 173 N MET A 11 7.686 -26.119 15.879 1.00 1.42 N ATOM 174 CA MET A 11 7.324 -26.674 17.194 1.00 20.35 C ATOM 175 C MET A 11 7.758 -28.141 17.327 1.00 63.34 C ATOM 176 O MET A 11 8.244 -28.749 16.375 1.00 53.03 O ATOM 177 CB MET A 11 5.811 -26.572 17.450 1.00 34.23 C ATOM 178 CG MET A 11 4.963 -27.445 16.530 1.00 11.55 C ATOM 179 SD MET A 11 4.809 -26.768 14.872 1.00 72.10 S ATOM 180 CE MET A 11 3.871 -25.283 15.223 1.00 1.03 C ATOM 0 H MET A 11 7.835 -26.819 15.153 1.00 1.42 H new ATOM 0 HA MET A 11 7.853 -26.079 17.938 1.00 20.35 H new ATOM 0 HB2 MET A 11 5.609 -26.850 18.484 1.00 34.23 H new ATOM 0 HB3 MET A 11 5.503 -25.533 17.333 1.00 34.23 H new ATOM 0 HG2 MET A 11 5.405 -28.440 16.472 1.00 11.55 H new ATOM 0 HG3 MET A 11 3.970 -27.563 16.963 1.00 11.55 H new ATOM 0 HE1 MET A 11 3.222 -25.054 14.377 1.00 1.03 H new ATOM 0 HE2 MET A 11 3.263 -25.439 16.115 1.00 1.03 H new ATOM 0 HE3 MET A 11 4.555 -24.451 15.391 1.00 1.03 H new ATOM 190 N VAL A 12 7.580 -28.702 18.521 1.00 41.40 N ATOM 191 CA VAL A 12 7.838 -30.129 18.753 1.00 5.25 C ATOM 192 C VAL A 12 6.617 -30.979 18.361 1.00 2.21 C ATOM 193 O VAL A 12 5.542 -30.442 18.088 1.00 41.31 O ATOM 194 CB VAL A 12 8.202 -30.403 20.234 1.00 15.02 C ATOM 195 CG1 VAL A 12 9.475 -29.649 20.621 1.00 43.43 C ATOM 196 CG2 VAL A 12 7.041 -30.030 21.157 1.00 24.12 C ATOM 0 H VAL A 12 7.258 -28.194 19.345 1.00 41.40 H new ATOM 0 HA VAL A 12 8.685 -30.409 18.127 1.00 5.25 H new ATOM 0 HB VAL A 12 8.391 -31.470 20.350 1.00 15.02 H new ATOM 0 HG11 VAL A 12 9.716 -29.853 21.664 1.00 43.43 H new ATOM 0 HG12 VAL A 12 10.299 -29.977 19.988 1.00 43.43 H new ATOM 0 HG13 VAL A 12 9.319 -28.579 20.487 1.00 43.43 H new ATOM 0 HG21 VAL A 12 7.320 -30.231 22.191 1.00 24.12 H new ATOM 0 HG22 VAL A 12 6.811 -28.971 21.042 1.00 24.12 H new ATOM 0 HG23 VAL A 12 6.164 -30.622 20.896 1.00 24.12 H new ATOM 206 N GLU A 13 6.780 -32.302 18.357 1.00 74.23 N ATOM 207 CA GLU A 13 5.710 -33.223 17.944 1.00 35.32 C ATOM 208 C GLU A 13 4.439 -33.054 18.799 1.00 43.03 C ATOM 209 O GLU A 13 3.319 -33.058 18.276 1.00 10.13 O ATOM 210 CB GLU A 13 6.214 -34.667 18.029 1.00 53.22 C ATOM 211 CG GLU A 13 5.187 -35.715 17.619 1.00 33.42 C ATOM 212 CD GLU A 13 5.717 -37.131 17.770 1.00 50.20 C ATOM 213 OE1 GLU A 13 6.044 -37.525 18.911 1.00 72.42 O ATOM 214 OE2 GLU A 13 5.819 -37.849 16.756 1.00 53.14 O ATOM 0 H GLU A 13 7.645 -32.766 18.636 1.00 74.23 H new ATOM 0 HA GLU A 13 5.442 -32.984 16.915 1.00 35.32 H new ATOM 0 HB2 GLU A 13 7.094 -34.770 17.394 1.00 53.22 H new ATOM 0 HB3 GLU A 13 6.533 -34.868 19.052 1.00 53.22 H new ATOM 0 HG2 GLU A 13 4.290 -35.598 18.227 1.00 33.42 H new ATOM 0 HG3 GLU A 13 4.894 -35.548 16.583 1.00 33.42 H new ATOM 221 N LYS A 14 4.622 -32.897 20.111 1.00 54.43 N ATOM 222 CA LYS A 14 3.502 -32.701 21.041 1.00 4.22 C ATOM 223 C LYS A 14 2.638 -31.501 20.620 1.00 23.21 C ATOM 224 O LYS A 14 1.414 -31.597 20.548 1.00 32.31 O ATOM 225 CB LYS A 14 4.035 -32.518 22.479 1.00 33.54 C ATOM 226 CG LYS A 14 2.950 -32.465 23.565 1.00 34.32 C ATOM 227 CD LYS A 14 2.401 -31.052 23.782 1.00 42.15 C ATOM 228 CE LYS A 14 3.447 -30.123 24.389 1.00 61.35 C ATOM 229 NZ LYS A 14 2.920 -28.751 24.621 1.00 12.51 N ATOM 0 H LYS A 14 5.539 -32.901 20.558 1.00 54.43 H new ATOM 0 HA LYS A 14 2.870 -33.588 21.013 1.00 4.22 H new ATOM 0 HB2 LYS A 14 4.717 -33.337 22.706 1.00 33.54 H new ATOM 0 HB3 LYS A 14 4.617 -31.598 22.521 1.00 33.54 H new ATOM 0 HG2 LYS A 14 2.132 -33.130 23.288 1.00 34.32 H new ATOM 0 HG3 LYS A 14 3.361 -32.839 24.503 1.00 34.32 H new ATOM 0 HD2 LYS A 14 2.062 -30.644 22.830 1.00 42.15 H new ATOM 0 HD3 LYS A 14 1.531 -31.097 24.437 1.00 42.15 H new ATOM 0 HE2 LYS A 14 3.795 -30.540 25.334 1.00 61.35 H new ATOM 0 HE3 LYS A 14 4.311 -30.070 23.726 1.00 61.35 H new ATOM 0 HZ1 LYS A 14 3.667 -28.157 25.034 1.00 12.51 H new ATOM 0 HZ2 LYS A 14 2.612 -28.340 23.717 1.00 12.51 H new ATOM 0 HZ3 LYS A 14 2.112 -28.795 25.274 1.00 12.51 H new ATOM 243 N ALA A 15 3.285 -30.376 20.333 1.00 5.44 N ATOM 244 CA ALA A 15 2.578 -29.176 19.878 1.00 52.21 C ATOM 245 C ALA A 15 2.039 -29.360 18.450 1.00 24.35 C ATOM 246 O ALA A 15 0.938 -28.915 18.127 1.00 3.12 O ATOM 247 CB ALA A 15 3.503 -27.964 19.952 1.00 32.31 C ATOM 0 H ALA A 15 4.296 -30.267 20.406 1.00 5.44 H new ATOM 0 HA ALA A 15 1.725 -29.009 20.536 1.00 52.21 H new ATOM 0 HB1 ALA A 15 2.969 -27.077 19.612 1.00 32.31 H new ATOM 0 HB2 ALA A 15 3.830 -27.818 20.982 1.00 32.31 H new ATOM 0 HB3 ALA A 15 4.372 -28.130 19.316 1.00 32.31 H new ATOM 253 N LEU A 16 2.816 -30.041 17.609 1.00 62.11 N ATOM 254 CA LEU A 16 2.447 -30.271 16.207 1.00 32.52 C ATOM 255 C LEU A 16 1.086 -30.983 16.100 1.00 50.41 C ATOM 256 O LEU A 16 0.210 -30.555 15.344 1.00 53.34 O ATOM 257 CB LEU A 16 3.554 -31.090 15.512 1.00 5.54 C ATOM 258 CG LEU A 16 3.487 -31.197 13.971 1.00 51.42 C ATOM 259 CD1 LEU A 16 2.398 -32.166 13.511 1.00 62.32 C ATOM 260 CD2 LEU A 16 3.290 -29.818 13.342 1.00 35.53 C ATOM 0 H LEU A 16 3.713 -30.447 17.874 1.00 62.11 H new ATOM 0 HA LEU A 16 2.349 -29.308 15.706 1.00 32.52 H new ATOM 0 HB2 LEU A 16 4.516 -30.654 15.780 1.00 5.54 H new ATOM 0 HB3 LEU A 16 3.537 -32.100 15.923 1.00 5.54 H new ATOM 0 HG LEU A 16 4.441 -31.600 13.631 1.00 51.42 H new ATOM 0 HD11 LEU A 16 2.387 -32.210 12.422 1.00 62.32 H new ATOM 0 HD12 LEU A 16 2.601 -33.159 13.912 1.00 62.32 H new ATOM 0 HD13 LEU A 16 1.428 -31.821 13.870 1.00 62.32 H new ATOM 0 HD21 LEU A 16 3.246 -29.916 12.257 1.00 35.53 H new ATOM 0 HD22 LEU A 16 2.360 -29.382 13.705 1.00 35.53 H new ATOM 0 HD23 LEU A 16 4.124 -29.171 13.614 1.00 35.53 H new ATOM 272 N MET A 17 0.910 -32.067 16.858 1.00 52.32 N ATOM 273 CA MET A 17 -0.354 -32.818 16.844 1.00 72.33 C ATOM 274 C MET A 17 -1.526 -31.946 17.329 1.00 31.44 C ATOM 275 O MET A 17 -2.637 -32.046 16.813 1.00 54.52 O ATOM 276 CB MET A 17 -0.244 -34.091 17.700 1.00 20.41 C ATOM 277 CG MET A 17 -0.043 -33.834 19.187 1.00 74.21 C ATOM 278 SD MET A 17 0.158 -35.355 20.137 1.00 15.01 S ATOM 279 CE MET A 17 1.686 -35.984 19.442 1.00 61.33 C ATOM 0 H MET A 17 1.619 -32.445 17.486 1.00 52.32 H new ATOM 0 HA MET A 17 -0.553 -33.110 15.813 1.00 72.33 H new ATOM 0 HB2 MET A 17 -1.149 -34.684 17.565 1.00 20.41 H new ATOM 0 HB3 MET A 17 0.588 -34.691 17.332 1.00 20.41 H new ATOM 0 HG2 MET A 17 0.836 -33.204 19.327 1.00 74.21 H new ATOM 0 HG3 MET A 17 -0.898 -33.279 19.574 1.00 74.21 H new ATOM 0 HE1 MET A 17 2.114 -36.726 20.116 1.00 61.33 H new ATOM 0 HE2 MET A 17 1.483 -36.446 18.476 1.00 61.33 H new ATOM 0 HE3 MET A 17 2.391 -35.163 19.311 1.00 61.33 H new ATOM 289 N VAL A 18 -1.264 -31.078 18.308 1.00 44.13 N ATOM 290 CA VAL A 18 -2.288 -30.164 18.832 1.00 22.12 C ATOM 291 C VAL A 18 -2.651 -29.079 17.800 1.00 42.53 C ATOM 292 O VAL A 18 -3.809 -28.663 17.693 1.00 51.34 O ATOM 293 CB VAL A 18 -1.814 -29.486 20.146 1.00 22.55 C ATOM 294 CG1 VAL A 18 -2.876 -28.531 20.691 1.00 32.43 C ATOM 295 CG2 VAL A 18 -1.445 -30.536 21.193 1.00 34.23 C ATOM 0 H VAL A 18 -0.352 -30.987 18.756 1.00 44.13 H new ATOM 0 HA VAL A 18 -3.174 -30.764 19.040 1.00 22.12 H new ATOM 0 HB VAL A 18 -0.924 -28.900 19.917 1.00 22.55 H new ATOM 0 HG11 VAL A 18 -2.515 -28.072 21.611 1.00 32.43 H new ATOM 0 HG12 VAL A 18 -3.080 -27.754 19.954 1.00 32.43 H new ATOM 0 HG13 VAL A 18 -3.792 -29.085 20.897 1.00 32.43 H new ATOM 0 HG21 VAL A 18 -1.116 -30.040 22.106 1.00 34.23 H new ATOM 0 HG22 VAL A 18 -2.316 -31.155 21.410 1.00 34.23 H new ATOM 0 HG23 VAL A 18 -0.640 -31.164 20.811 1.00 34.23 H new ATOM 305 N ARG A 19 -1.650 -28.630 17.044 1.00 1.32 N ATOM 306 CA ARG A 19 -1.840 -27.601 16.011 1.00 0.02 C ATOM 307 C ARG A 19 -2.548 -28.160 14.763 1.00 52.12 C ATOM 308 O ARG A 19 -3.371 -27.480 14.150 1.00 51.11 O ATOM 309 CB ARG A 19 -0.482 -27.007 15.599 1.00 54.41 C ATOM 310 CG ARG A 19 0.247 -26.260 16.716 1.00 2.14 C ATOM 311 CD ARG A 19 -0.498 -25.001 17.144 1.00 74.45 C ATOM 312 NE ARG A 19 0.244 -24.242 18.149 1.00 61.10 N ATOM 313 CZ ARG A 19 0.040 -22.981 18.410 1.00 43.13 C ATOM 314 NH1 ARG A 19 -0.876 -22.319 17.784 1.00 64.33 N ATOM 315 NH2 ARG A 19 0.751 -22.384 19.307 1.00 10.23 N ATOM 0 H ARG A 19 -0.690 -28.963 17.126 1.00 1.32 H new ATOM 0 HA ARG A 19 -2.473 -26.825 16.442 1.00 0.02 H new ATOM 0 HB2 ARG A 19 0.159 -27.812 15.239 1.00 54.41 H new ATOM 0 HB3 ARG A 19 -0.636 -26.325 14.763 1.00 54.41 H new ATOM 0 HG2 ARG A 19 0.366 -26.920 17.575 1.00 2.14 H new ATOM 0 HG3 ARG A 19 1.248 -25.991 16.379 1.00 2.14 H new ATOM 0 HD2 ARG A 19 -0.676 -24.371 16.272 1.00 74.45 H new ATOM 0 HD3 ARG A 19 -1.474 -25.275 17.544 1.00 74.45 H new ATOM 0 HE ARG A 19 0.966 -24.729 18.679 1.00 61.10 H new ATOM 0 HH11 ARG A 19 -1.448 -22.783 17.078 1.00 64.33 H new ATOM 0 HH12 ARG A 19 -1.027 -21.333 17.996 1.00 64.33 H new ATOM 0 HH21 ARG A 19 1.473 -22.899 19.812 1.00 10.23 H new ATOM 0 HH22 ARG A 19 0.591 -21.397 19.511 1.00 10.23 H new ATOM 329 N THR A 20 -2.220 -29.397 14.392 1.00 52.22 N ATOM 330 CA THR A 20 -2.740 -30.005 13.151 1.00 53.22 C ATOM 331 C THR A 20 -4.019 -30.822 13.385 1.00 63.53 C ATOM 332 O THR A 20 -4.878 -30.905 12.504 1.00 1.14 O ATOM 333 CB THR A 20 -1.691 -30.942 12.504 1.00 11.31 C ATOM 334 OG1 THR A 20 -1.338 -31.989 13.423 1.00 0.31 O ATOM 335 CG2 THR A 20 -0.437 -30.171 12.101 1.00 52.25 C ATOM 0 H THR A 20 -1.598 -30.003 14.927 1.00 52.22 H new ATOM 0 HA THR A 20 -2.967 -29.169 12.489 1.00 53.22 H new ATOM 0 HB THR A 20 -2.132 -31.374 11.606 1.00 11.31 H new ATOM 0 HG1 THR A 20 -0.765 -31.625 14.129 1.00 0.31 H new ATOM 0 HG21 THR A 20 0.281 -30.855 11.650 1.00 52.25 H new ATOM 0 HG22 THR A 20 -0.702 -29.396 11.381 1.00 52.25 H new ATOM 0 HG23 THR A 20 0.006 -29.710 12.984 1.00 52.25 H new ATOM 343 N GLY A 21 -4.149 -31.411 14.572 1.00 44.34 N ATOM 344 CA GLY A 21 -5.296 -32.268 14.870 1.00 10.12 C ATOM 345 C GLY A 21 -4.948 -33.760 14.867 1.00 31.25 C ATOM 346 O GLY A 21 -5.796 -34.605 15.165 1.00 51.22 O ATOM 0 H GLY A 21 -3.482 -31.313 15.337 1.00 44.34 H new ATOM 0 HA2 GLY A 21 -5.701 -31.997 15.845 1.00 10.12 H new ATOM 0 HA3 GLY A 21 -6.081 -32.083 14.137 1.00 10.12 H new ATOM 350 N LEU A 22 -3.695 -34.084 14.536 1.00 51.00 N ATOM 351 CA LEU A 22 -3.222 -35.479 14.507 1.00 21.22 C ATOM 352 C LEU A 22 -2.895 -36.013 15.915 1.00 64.23 C ATOM 353 O LEU A 22 -3.121 -35.343 16.923 1.00 41.24 O ATOM 354 CB LEU A 22 -1.978 -35.604 13.602 1.00 14.45 C ATOM 355 CG LEU A 22 -2.252 -35.731 12.091 1.00 35.10 C ATOM 356 CD1 LEU A 22 -3.046 -34.541 11.564 1.00 60.24 C ATOM 357 CD2 LEU A 22 -0.941 -35.886 11.322 1.00 52.12 C ATOM 0 H LEU A 22 -2.984 -33.398 14.283 1.00 51.00 H new ATOM 0 HA LEU A 22 -4.034 -36.084 14.103 1.00 21.22 H new ATOM 0 HB2 LEU A 22 -1.346 -34.731 13.764 1.00 14.45 H new ATOM 0 HB3 LEU A 22 -1.406 -36.475 13.922 1.00 14.45 H new ATOM 0 HG LEU A 22 -2.857 -36.625 11.937 1.00 35.10 H new ATOM 0 HD11 LEU A 22 -3.221 -34.665 10.495 1.00 60.24 H new ATOM 0 HD12 LEU A 22 -4.002 -34.483 12.084 1.00 60.24 H new ATOM 0 HD13 LEU A 22 -2.483 -33.623 11.736 1.00 60.24 H new ATOM 0 HD21 LEU A 22 -1.153 -35.974 10.256 1.00 52.12 H new ATOM 0 HD22 LEU A 22 -0.312 -35.013 11.496 1.00 52.12 H new ATOM 0 HD23 LEU A 22 -0.422 -36.781 11.664 1.00 52.12 H new ATOM 369 N GLY A 23 -2.362 -37.236 15.967 1.00 73.13 N ATOM 370 CA GLY A 23 -1.957 -37.842 17.233 1.00 35.40 C ATOM 371 C GLY A 23 -0.602 -38.537 17.135 1.00 22.13 C ATOM 372 O GLY A 23 -0.081 -38.732 16.036 1.00 72.22 O ATOM 0 H GLY A 23 -2.202 -37.823 15.148 1.00 73.13 H new ATOM 0 HA2 GLY A 23 -1.913 -37.073 18.004 1.00 35.40 H new ATOM 0 HA3 GLY A 23 -2.711 -38.564 17.545 1.00 35.40 H new ATOM 376 N ALA A 24 -0.040 -38.928 18.277 1.00 62.14 N ATOM 377 CA ALA A 24 1.289 -39.558 18.318 1.00 62.35 C ATOM 378 C ALA A 24 1.382 -40.800 17.413 1.00 61.30 C ATOM 379 O ALA A 24 2.314 -40.925 16.613 1.00 62.41 O ATOM 380 CB ALA A 24 1.654 -39.916 19.754 1.00 22.21 C ATOM 0 H ALA A 24 -0.481 -38.822 19.191 1.00 62.14 H new ATOM 0 HA ALA A 24 2.004 -38.831 17.931 1.00 62.35 H new ATOM 0 HB1 ALA A 24 2.639 -40.382 19.774 1.00 22.21 H new ATOM 0 HB2 ALA A 24 1.668 -39.012 20.362 1.00 22.21 H new ATOM 0 HB3 ALA A 24 0.916 -40.611 20.154 1.00 22.21 H new ATOM 386 N ARG A 25 0.409 -41.708 17.527 1.00 73.40 N ATOM 387 CA ARG A 25 0.403 -42.942 16.724 1.00 2.13 C ATOM 388 C ARG A 25 0.284 -42.634 15.221 1.00 62.34 C ATOM 389 O ARG A 25 0.678 -43.438 14.376 1.00 2.31 O ATOM 390 CB ARG A 25 -0.748 -43.870 17.155 1.00 2.33 C ATOM 391 CG ARG A 25 -2.133 -43.376 16.742 1.00 45.01 C ATOM 392 CD ARG A 25 -3.232 -44.373 17.105 1.00 3.43 C ATOM 393 NE ARG A 25 -4.511 -44.013 16.494 1.00 74.24 N ATOM 394 CZ ARG A 25 -5.672 -44.494 16.852 1.00 25.33 C ATOM 395 NH1 ARG A 25 -5.779 -45.330 17.834 1.00 21.33 N ATOM 396 NH2 ARG A 25 -6.735 -44.125 16.219 1.00 0.51 N ATOM 0 H ARG A 25 -0.383 -41.616 18.163 1.00 73.40 H new ATOM 0 HA ARG A 25 1.353 -43.447 16.899 1.00 2.13 H new ATOM 0 HB2 ARG A 25 -0.584 -44.859 16.726 1.00 2.33 H new ATOM 0 HB3 ARG A 25 -0.723 -43.984 18.239 1.00 2.33 H new ATOM 0 HG2 ARG A 25 -2.336 -42.421 17.227 1.00 45.01 H new ATOM 0 HG3 ARG A 25 -2.148 -43.197 15.667 1.00 45.01 H new ATOM 0 HD2 ARG A 25 -2.941 -45.371 16.778 1.00 3.43 H new ATOM 0 HD3 ARG A 25 -3.344 -44.413 18.188 1.00 3.43 H new ATOM 0 HE ARG A 25 -4.496 -43.336 15.731 1.00 74.24 H new ATOM 0 HH11 ARG A 25 -4.947 -45.626 18.345 1.00 21.33 H new ATOM 0 HH12 ARG A 25 -6.695 -45.693 18.097 1.00 21.33 H new ATOM 0 HH21 ARG A 25 -6.664 -43.463 15.446 1.00 0.51 H new ATOM 0 HH22 ARG A 25 -7.645 -44.495 16.492 1.00 0.51 H new ATOM 410 N GLN A 26 -0.258 -41.459 14.904 1.00 33.04 N ATOM 411 CA GLN A 26 -0.449 -41.030 13.515 1.00 61.53 C ATOM 412 C GLN A 26 0.850 -40.449 12.932 1.00 33.34 C ATOM 413 O GLN A 26 1.331 -40.887 11.886 1.00 24.14 O ATOM 414 CB GLN A 26 -1.568 -39.975 13.444 1.00 32.01 C ATOM 415 CG GLN A 26 -1.851 -39.451 12.034 1.00 60.34 C ATOM 416 CD GLN A 26 -2.647 -40.419 11.170 1.00 75.10 C ATOM 417 OE1 GLN A 26 -2.589 -41.630 11.343 1.00 23.14 O ATOM 418 NE2 GLN A 26 -3.389 -39.885 10.222 1.00 1.33 N ATOM 0 H GLN A 26 -0.576 -40.780 15.596 1.00 33.04 H new ATOM 0 HA GLN A 26 -0.730 -41.902 12.924 1.00 61.53 H new ATOM 0 HB2 GLN A 26 -2.484 -40.406 13.849 1.00 32.01 H new ATOM 0 HB3 GLN A 26 -1.300 -39.135 14.084 1.00 32.01 H new ATOM 0 HG2 GLN A 26 -2.397 -38.511 12.108 1.00 60.34 H new ATOM 0 HG3 GLN A 26 -0.904 -39.232 11.541 1.00 60.34 H new ATOM 0 HE21 GLN A 26 -3.415 -38.872 10.105 1.00 1.33 H new ATOM 0 HE22 GLN A 26 -3.938 -40.484 9.605 1.00 1.33 H new ATOM 427 N ILE A 27 1.416 -39.465 13.631 1.00 22.34 N ATOM 428 CA ILE A 27 2.607 -38.748 13.160 1.00 72.51 C ATOM 429 C ILE A 27 3.808 -39.686 12.946 1.00 22.31 C ATOM 430 O ILE A 27 4.514 -39.581 11.940 1.00 13.33 O ATOM 431 CB ILE A 27 3.008 -37.622 14.147 1.00 11.22 C ATOM 432 CG1 ILE A 27 1.834 -36.649 14.352 1.00 64.52 C ATOM 433 CG2 ILE A 27 4.246 -36.871 13.647 1.00 31.32 C ATOM 434 CD1 ILE A 27 2.129 -35.530 15.329 1.00 1.33 C ATOM 0 H ILE A 27 1.067 -39.142 14.533 1.00 22.34 H new ATOM 0 HA ILE A 27 2.339 -38.311 12.198 1.00 72.51 H new ATOM 0 HB ILE A 27 3.255 -38.080 15.105 1.00 11.22 H new ATOM 0 HG12 ILE A 27 1.562 -36.216 13.390 1.00 64.52 H new ATOM 0 HG13 ILE A 27 0.968 -37.209 14.706 1.00 64.52 H new ATOM 0 HG21 ILE A 27 4.507 -36.086 14.357 1.00 31.32 H new ATOM 0 HG22 ILE A 27 5.080 -37.567 13.552 1.00 31.32 H new ATOM 0 HG23 ILE A 27 4.033 -36.425 12.675 1.00 31.32 H new ATOM 0 HD11 ILE A 27 1.254 -34.886 15.420 1.00 1.33 H new ATOM 0 HD12 ILE A 27 2.372 -35.953 16.304 1.00 1.33 H new ATOM 0 HD13 ILE A 27 2.974 -34.944 14.967 1.00 1.33 H new ATOM 446 N GLU A 28 4.028 -40.609 13.882 1.00 13.24 N ATOM 447 CA GLU A 28 5.171 -41.529 13.804 1.00 11.55 C ATOM 448 C GLU A 28 5.148 -42.368 12.516 1.00 33.44 C ATOM 449 O GLU A 28 6.197 -42.748 11.995 1.00 40.05 O ATOM 450 CB GLU A 28 5.217 -42.445 15.035 1.00 74.43 C ATOM 451 CG GLU A 28 4.023 -43.384 15.170 1.00 73.35 C ATOM 452 CD GLU A 28 4.153 -44.312 16.365 1.00 24.00 C ATOM 453 OE1 GLU A 28 4.896 -45.311 16.270 1.00 44.44 O ATOM 454 OE2 GLU A 28 3.530 -44.040 17.414 1.00 23.22 O ATOM 0 H GLU A 28 3.435 -40.742 14.701 1.00 13.24 H new ATOM 0 HA GLU A 28 6.074 -40.918 13.784 1.00 11.55 H new ATOM 0 HB2 GLU A 28 6.129 -43.041 14.995 1.00 74.43 H new ATOM 0 HB3 GLU A 28 5.280 -41.826 15.930 1.00 74.43 H new ATOM 0 HG2 GLU A 28 3.110 -42.796 15.267 1.00 73.35 H new ATOM 0 HG3 GLU A 28 3.925 -43.977 14.261 1.00 73.35 H new ATOM 461 N SER A 29 3.952 -42.634 11.992 1.00 11.20 N ATOM 462 CA SER A 29 3.812 -43.384 10.736 1.00 40.20 C ATOM 463 C SER A 29 4.346 -42.564 9.552 1.00 71.51 C ATOM 464 O SER A 29 4.959 -43.102 8.628 1.00 1.11 O ATOM 465 CB SER A 29 2.347 -43.769 10.490 1.00 72.11 C ATOM 466 OG SER A 29 2.224 -44.617 9.358 1.00 53.31 O ATOM 0 H SER A 29 3.068 -42.345 12.412 1.00 11.20 H new ATOM 0 HA SER A 29 4.401 -44.297 10.824 1.00 40.20 H new ATOM 0 HB2 SER A 29 1.947 -44.272 11.370 1.00 72.11 H new ATOM 0 HB3 SER A 29 1.751 -42.868 10.340 1.00 72.11 H new ATOM 0 HG SER A 29 1.281 -44.849 9.224 1.00 53.31 H new ATOM 472 N TYR A 30 4.122 -41.250 9.598 1.00 53.01 N ATOM 473 CA TYR A 30 4.653 -40.334 8.581 1.00 64.44 C ATOM 474 C TYR A 30 6.153 -40.070 8.809 1.00 11.51 C ATOM 475 O TYR A 30 6.909 -39.840 7.861 1.00 21.34 O ATOM 476 CB TYR A 30 3.888 -39.005 8.597 1.00 74.23 C ATOM 477 CG TYR A 30 2.400 -39.136 8.321 1.00 41.15 C ATOM 478 CD1 TYR A 30 1.934 -39.550 7.076 1.00 72.14 C ATOM 479 CD2 TYR A 30 1.462 -38.844 9.304 1.00 51.30 C ATOM 480 CE1 TYR A 30 0.578 -39.666 6.823 1.00 42.53 C ATOM 481 CE2 TYR A 30 0.108 -38.957 9.057 1.00 73.11 C ATOM 482 CZ TYR A 30 -0.330 -39.369 7.817 1.00 70.41 C ATOM 483 OH TYR A 30 -1.681 -39.478 7.572 1.00 3.23 O ATOM 0 H TYR A 30 3.576 -40.793 10.329 1.00 53.01 H new ATOM 0 HA TYR A 30 4.523 -40.807 7.608 1.00 64.44 H new ATOM 0 HB2 TYR A 30 4.025 -38.532 9.570 1.00 74.23 H new ATOM 0 HB3 TYR A 30 4.326 -38.338 7.854 1.00 74.23 H new ATOM 0 HD1 TYR A 30 2.642 -39.784 6.295 1.00 72.14 H new ATOM 0 HD2 TYR A 30 1.798 -38.523 10.279 1.00 51.30 H new ATOM 0 HE1 TYR A 30 0.233 -39.988 5.851 1.00 42.53 H new ATOM 0 HE2 TYR A 30 -0.606 -38.723 9.833 1.00 73.11 H new ATOM 0 HH TYR A 30 -1.837 -40.179 6.905 1.00 3.23 H new ATOM 493 N ARG A 31 6.571 -40.102 10.076 1.00 41.13 N ATOM 494 CA ARG A 31 7.979 -39.904 10.453 1.00 75.15 C ATOM 495 C ARG A 31 8.901 -40.959 9.818 1.00 71.41 C ATOM 496 O ARG A 31 10.092 -40.717 9.618 1.00 14.25 O ATOM 497 CB ARG A 31 8.123 -39.930 11.984 1.00 13.12 C ATOM 498 CG ARG A 31 7.605 -38.671 12.677 1.00 21.21 C ATOM 499 CD ARG A 31 7.606 -38.804 14.198 1.00 64.14 C ATOM 500 NE ARG A 31 8.878 -39.294 14.720 1.00 3.13 N ATOM 501 CZ ARG A 31 9.162 -39.372 15.991 1.00 1.13 C ATOM 502 NH1 ARG A 31 8.304 -38.998 16.885 1.00 55.23 N ATOM 503 NH2 ARG A 31 10.310 -39.833 16.366 1.00 42.34 N ATOM 0 H ARG A 31 5.950 -40.265 10.868 1.00 41.13 H new ATOM 0 HA ARG A 31 8.286 -38.930 10.073 1.00 75.15 H new ATOM 0 HB2 ARG A 31 7.586 -40.795 12.375 1.00 13.12 H new ATOM 0 HB3 ARG A 31 9.174 -40.066 12.238 1.00 13.12 H new ATOM 0 HG2 ARG A 31 8.222 -37.820 12.389 1.00 21.21 H new ATOM 0 HG3 ARG A 31 6.592 -38.461 12.334 1.00 21.21 H new ATOM 0 HD2 ARG A 31 7.385 -37.834 14.644 1.00 64.14 H new ATOM 0 HD3 ARG A 31 6.808 -39.483 14.500 1.00 64.14 H new ATOM 0 HE ARG A 31 9.587 -39.593 14.051 1.00 3.13 H new ATOM 0 HH11 ARG A 31 7.394 -38.637 16.599 1.00 55.23 H new ATOM 0 HH12 ARG A 31 8.538 -39.064 17.876 1.00 55.23 H new ATOM 0 HH21 ARG A 31 10.991 -40.135 15.669 1.00 42.34 H new ATOM 0 HH22 ARG A 31 10.535 -39.895 17.359 1.00 42.34 H new ATOM 517 N GLN A 32 8.347 -42.123 9.499 1.00 14.33 N ATOM 518 CA GLN A 32 9.124 -43.205 8.889 1.00 63.41 C ATOM 519 C GLN A 32 9.005 -43.200 7.353 1.00 52.33 C ATOM 520 O GLN A 32 9.412 -44.156 6.684 1.00 40.44 O ATOM 521 CB GLN A 32 8.660 -44.555 9.454 1.00 64.51 C ATOM 522 CG GLN A 32 8.703 -44.625 10.978 1.00 51.44 C ATOM 523 CD GLN A 32 10.087 -44.350 11.547 1.00 1.34 C ATOM 524 OE1 GLN A 32 10.438 -43.212 11.843 1.00 1.43 O ATOM 525 NE2 GLN A 32 10.885 -45.388 11.698 1.00 61.23 N ATOM 0 H GLN A 32 7.363 -42.345 9.651 1.00 14.33 H new ATOM 0 HA GLN A 32 10.174 -43.046 9.134 1.00 63.41 H new ATOM 0 HB2 GLN A 32 7.642 -44.750 9.118 1.00 64.51 H new ATOM 0 HB3 GLN A 32 9.288 -45.346 9.044 1.00 64.51 H new ATOM 0 HG2 GLN A 32 7.997 -43.903 11.389 1.00 51.44 H new ATOM 0 HG3 GLN A 32 8.373 -45.613 11.300 1.00 51.44 H new ATOM 0 HE21 GLN A 32 10.562 -46.321 11.442 1.00 61.23 H new ATOM 0 HE22 GLN A 32 11.826 -45.258 12.071 1.00 61.23 H new ATOM 534 N GLY A 33 8.462 -42.114 6.794 1.00 63.23 N ATOM 535 CA GLY A 33 8.279 -42.025 5.344 1.00 42.23 C ATOM 536 C GLY A 33 8.364 -40.602 4.789 1.00 71.51 C ATOM 537 O GLY A 33 9.428 -40.160 4.354 1.00 21.22 O ATOM 0 H GLY A 33 8.146 -41.296 7.315 1.00 63.23 H new ATOM 0 HA2 GLY A 33 9.035 -42.640 4.855 1.00 42.23 H new ATOM 0 HA3 GLY A 33 7.308 -42.447 5.085 1.00 42.23 H new ATOM 541 N ALA A 34 7.241 -39.885 4.809 1.00 54.34 N ATOM 542 CA ALA A 34 7.152 -38.548 4.199 1.00 5.32 C ATOM 543 C ALA A 34 8.014 -37.501 4.928 1.00 33.13 C ATOM 544 O ALA A 34 8.359 -36.458 4.360 1.00 71.52 O ATOM 545 CB ALA A 34 5.698 -38.093 4.153 1.00 61.40 C ATOM 0 H ALA A 34 6.374 -40.204 5.241 1.00 54.34 H new ATOM 0 HA ALA A 34 7.546 -38.631 3.186 1.00 5.32 H new ATOM 0 HB1 ALA A 34 5.641 -37.103 3.700 1.00 61.40 H new ATOM 0 HB2 ALA A 34 5.115 -38.797 3.560 1.00 61.40 H new ATOM 0 HB3 ALA A 34 5.297 -38.053 5.166 1.00 61.40 H new ATOM 551 N TRP A 35 8.346 -37.766 6.187 1.00 5.13 N ATOM 552 CA TRP A 35 9.182 -36.849 6.967 1.00 2.14 C ATOM 553 C TRP A 35 10.645 -36.871 6.493 1.00 12.32 C ATOM 554 O TRP A 35 11.401 -37.803 6.777 1.00 32.25 O ATOM 555 CB TRP A 35 9.101 -37.183 8.463 1.00 12.53 C ATOM 556 CG TRP A 35 7.977 -36.504 9.210 1.00 73.44 C ATOM 557 CD1 TRP A 35 8.018 -36.089 10.510 1.00 21.40 C ATOM 558 CD2 TRP A 35 6.665 -36.148 8.724 1.00 73.21 C ATOM 559 NE1 TRP A 35 6.822 -35.526 10.870 1.00 53.20 N ATOM 560 CE2 TRP A 35 5.979 -35.545 9.796 1.00 15.03 C ATOM 561 CE3 TRP A 35 6.000 -36.281 7.500 1.00 14.22 C ATOM 562 CZ2 TRP A 35 4.673 -35.080 9.682 1.00 60.52 C ATOM 563 CZ3 TRP A 35 4.703 -35.814 7.387 1.00 63.14 C ATOM 564 CH2 TRP A 35 4.051 -35.222 8.474 1.00 12.12 C ATOM 0 H TRP A 35 8.053 -38.603 6.691 1.00 5.13 H new ATOM 0 HA TRP A 35 8.797 -35.842 6.809 1.00 2.14 H new ATOM 0 HB2 TRP A 35 8.991 -38.262 8.573 1.00 12.53 H new ATOM 0 HB3 TRP A 35 10.046 -36.910 8.932 1.00 12.53 H new ATOM 0 HD1 TRP A 35 8.873 -36.190 11.163 1.00 21.40 H new ATOM 0 HE1 TRP A 35 6.597 -35.153 11.792 1.00 53.20 H new ATOM 0 HE3 TRP A 35 6.492 -36.741 6.656 1.00 14.22 H new ATOM 0 HZ2 TRP A 35 4.168 -34.622 10.520 1.00 60.52 H new ATOM 0 HZ3 TRP A 35 4.185 -35.908 6.444 1.00 63.14 H new ATOM 0 HH2 TRP A 35 3.037 -34.871 8.356 1.00 12.12 H new ATOM 575 N ILE A 36 11.027 -35.820 5.774 1.00 62.13 N ATOM 576 CA ILE A 36 12.397 -35.652 5.276 1.00 75.53 C ATOM 577 C ILE A 36 13.151 -34.618 6.126 1.00 35.14 C ATOM 578 O ILE A 36 12.616 -33.542 6.408 1.00 41.21 O ATOM 579 CB ILE A 36 12.388 -35.176 3.797 1.00 51.31 C ATOM 580 CG1 ILE A 36 11.573 -36.144 2.923 1.00 43.12 C ATOM 581 CG2 ILE A 36 13.813 -35.033 3.259 1.00 75.14 C ATOM 582 CD1 ILE A 36 11.380 -35.665 1.497 1.00 24.41 C ATOM 0 H ILE A 36 10.399 -35.058 5.518 1.00 62.13 H new ATOM 0 HA ILE A 36 12.898 -36.618 5.342 1.00 75.53 H new ATOM 0 HB ILE A 36 11.914 -34.195 3.760 1.00 51.31 H new ATOM 0 HG12 ILE A 36 12.073 -37.113 2.907 1.00 43.12 H new ATOM 0 HG13 ILE A 36 10.596 -36.297 3.381 1.00 43.12 H new ATOM 0 HG21 ILE A 36 13.779 -34.699 2.222 1.00 75.14 H new ATOM 0 HG22 ILE A 36 14.356 -34.302 3.858 1.00 75.14 H new ATOM 0 HG23 ILE A 36 14.321 -35.996 3.313 1.00 75.14 H new ATOM 0 HD11 ILE A 36 10.796 -36.400 0.942 1.00 24.41 H new ATOM 0 HD12 ILE A 36 10.853 -34.711 1.502 1.00 24.41 H new ATOM 0 HD13 ILE A 36 12.352 -35.539 1.021 1.00 24.41 H new ATOM 594 N GLU A 37 14.381 -34.934 6.531 1.00 20.02 N ATOM 595 CA GLU A 37 15.176 -34.009 7.352 1.00 75.44 C ATOM 596 C GLU A 37 15.480 -32.709 6.582 1.00 12.04 C ATOM 597 O GLU A 37 15.709 -32.729 5.370 1.00 2.24 O ATOM 598 CB GLU A 37 16.482 -34.672 7.829 1.00 10.55 C ATOM 599 CG GLU A 37 17.430 -35.079 6.706 1.00 33.05 C ATOM 600 CD GLU A 37 18.757 -35.616 7.226 1.00 61.02 C ATOM 601 OE1 GLU A 37 19.559 -34.811 7.751 1.00 2.43 O ATOM 602 OE2 GLU A 37 19.007 -36.835 7.109 1.00 62.52 O ATOM 0 H GLU A 37 14.848 -35.813 6.309 1.00 20.02 H new ATOM 0 HA GLU A 37 14.584 -33.755 8.231 1.00 75.44 H new ATOM 0 HB2 GLU A 37 17.002 -33.984 8.495 1.00 10.55 H new ATOM 0 HB3 GLU A 37 16.233 -35.556 8.416 1.00 10.55 H new ATOM 0 HG2 GLU A 37 16.951 -35.839 6.089 1.00 33.05 H new ATOM 0 HG3 GLU A 37 17.617 -34.219 6.064 1.00 33.05 H new ATOM 609 N GLY A 38 15.454 -31.579 7.287 1.00 75.44 N ATOM 610 CA GLY A 38 15.650 -30.276 6.652 1.00 30.44 C ATOM 611 C GLY A 38 14.385 -29.742 5.972 1.00 50.33 C ATOM 612 O GLY A 38 14.051 -28.562 6.098 1.00 42.10 O ATOM 0 H GLY A 38 15.300 -31.539 8.294 1.00 75.44 H new ATOM 0 HA2 GLY A 38 15.982 -29.559 7.403 1.00 30.44 H new ATOM 0 HA3 GLY A 38 16.447 -30.355 5.913 1.00 30.44 H new ATOM 616 N VAL A 39 13.680 -30.616 5.251 1.00 62.35 N ATOM 617 CA VAL A 39 12.473 -30.228 4.504 1.00 13.42 C ATOM 618 C VAL A 39 11.205 -30.228 5.385 1.00 11.23 C ATOM 619 O VAL A 39 10.450 -29.257 5.400 1.00 1.42 O ATOM 620 CB VAL A 39 12.253 -31.175 3.294 1.00 21.13 C ATOM 621 CG1 VAL A 39 11.026 -30.762 2.482 1.00 23.43 C ATOM 622 CG2 VAL A 39 13.498 -31.217 2.408 1.00 52.22 C ATOM 0 H VAL A 39 13.923 -31.603 5.166 1.00 62.35 H new ATOM 0 HA VAL A 39 12.640 -29.209 4.156 1.00 13.42 H new ATOM 0 HB VAL A 39 12.073 -32.177 3.683 1.00 21.13 H new ATOM 0 HG11 VAL A 39 10.899 -31.445 1.642 1.00 23.43 H new ATOM 0 HG12 VAL A 39 10.140 -30.799 3.117 1.00 23.43 H new ATOM 0 HG13 VAL A 39 11.162 -29.747 2.108 1.00 23.43 H new ATOM 0 HG21 VAL A 39 13.323 -31.886 1.566 1.00 52.22 H new ATOM 0 HG22 VAL A 39 13.714 -30.215 2.037 1.00 52.22 H new ATOM 0 HG23 VAL A 39 14.346 -31.579 2.989 1.00 52.22 H new ATOM 632 N HIS A 40 10.969 -31.328 6.105 1.00 23.31 N ATOM 633 CA HIS A 40 9.752 -31.480 6.925 1.00 21.04 C ATOM 634 C HIS A 40 10.050 -31.473 8.437 1.00 75.03 C ATOM 635 O HIS A 40 9.148 -31.253 9.244 1.00 73.14 O ATOM 636 CB HIS A 40 9.004 -32.762 6.528 1.00 12.22 C ATOM 637 CG HIS A 40 8.389 -32.691 5.159 1.00 1.03 C ATOM 638 ND1 HIS A 40 8.928 -33.311 4.050 1.00 73.42 N ATOM 639 CD2 HIS A 40 7.267 -32.068 4.723 1.00 63.30 C ATOM 640 CE1 HIS A 40 8.168 -33.070 3.000 1.00 64.40 C ATOM 641 NE2 HIS A 40 7.157 -32.319 3.379 1.00 13.20 N ATOM 0 H HIS A 40 11.600 -32.128 6.140 1.00 23.31 H new ATOM 0 HA HIS A 40 9.119 -30.615 6.726 1.00 21.04 H new ATOM 0 HB2 HIS A 40 9.695 -33.604 6.565 1.00 12.22 H new ATOM 0 HB3 HIS A 40 8.221 -32.960 7.261 1.00 12.22 H new ATOM 0 HD2 HIS A 40 6.586 -31.482 5.323 1.00 63.30 H new ATOM 0 HE1 HIS A 40 8.346 -33.429 1.997 1.00 64.40 H new ATOM 0 HE2 HIS A 40 6.412 -31.978 2.772 1.00 13.20 H new ATOM 650 N PHE A 41 11.304 -31.717 8.815 1.00 22.42 N ATOM 651 CA PHE A 41 11.726 -31.604 10.223 1.00 34.21 C ATOM 652 C PHE A 41 13.237 -31.336 10.315 1.00 34.05 C ATOM 653 O PHE A 41 14.012 -31.853 9.511 1.00 55.21 O ATOM 654 CB PHE A 41 11.358 -32.869 11.025 1.00 12.42 C ATOM 655 CG PHE A 41 12.163 -34.098 10.670 1.00 2.40 C ATOM 656 CD1 PHE A 41 11.797 -34.904 9.604 1.00 3.32 C ATOM 657 CD2 PHE A 41 13.288 -34.447 11.409 1.00 14.23 C ATOM 658 CE1 PHE A 41 12.532 -36.030 9.284 1.00 52.20 C ATOM 659 CE2 PHE A 41 14.025 -35.571 11.092 1.00 51.04 C ATOM 660 CZ PHE A 41 13.648 -36.362 10.027 1.00 34.31 C ATOM 0 H PHE A 41 12.048 -31.993 8.174 1.00 22.42 H new ATOM 0 HA PHE A 41 11.192 -30.761 10.661 1.00 34.21 H new ATOM 0 HB2 PHE A 41 11.488 -32.660 12.087 1.00 12.42 H new ATOM 0 HB3 PHE A 41 10.301 -33.086 10.870 1.00 12.42 H new ATOM 0 HD1 PHE A 41 10.927 -34.649 9.016 1.00 3.32 H new ATOM 0 HD2 PHE A 41 13.590 -33.830 12.243 1.00 14.23 H new ATOM 0 HE1 PHE A 41 12.233 -36.651 8.452 1.00 52.20 H new ATOM 0 HE2 PHE A 41 14.895 -35.830 11.677 1.00 51.04 H new ATOM 0 HZ PHE A 41 14.224 -37.240 9.774 1.00 34.31 H new ATOM 670 N LYS A 42 13.657 -30.533 11.294 1.00 52.11 N ATOM 671 CA LYS A 42 15.076 -30.168 11.445 1.00 11.22 C ATOM 672 C LYS A 42 15.635 -30.587 12.815 1.00 20.11 C ATOM 673 O LYS A 42 14.892 -30.742 13.787 1.00 74.30 O ATOM 674 CB LYS A 42 15.261 -28.652 11.267 1.00 21.24 C ATOM 675 CG LYS A 42 14.629 -27.818 12.380 1.00 72.34 C ATOM 676 CD LYS A 42 14.989 -26.338 12.257 1.00 21.14 C ATOM 677 CE LYS A 42 14.478 -25.532 13.449 1.00 32.24 C ATOM 678 NZ LYS A 42 14.913 -24.110 13.389 1.00 3.43 N ATOM 0 H LYS A 42 13.041 -30.121 11.995 1.00 52.11 H new ATOM 0 HA LYS A 42 15.627 -30.703 10.672 1.00 11.22 H new ATOM 0 HB2 LYS A 42 16.327 -28.429 11.219 1.00 21.24 H new ATOM 0 HB3 LYS A 42 14.830 -28.353 10.312 1.00 21.24 H new ATOM 0 HG2 LYS A 42 13.545 -27.932 12.348 1.00 72.34 H new ATOM 0 HG3 LYS A 42 14.961 -28.193 13.348 1.00 72.34 H new ATOM 0 HD2 LYS A 42 16.071 -26.232 12.183 1.00 21.14 H new ATOM 0 HD3 LYS A 42 14.565 -25.936 11.337 1.00 21.14 H new ATOM 0 HE2 LYS A 42 13.389 -25.577 13.477 1.00 32.24 H new ATOM 0 HE3 LYS A 42 14.840 -25.983 14.373 1.00 32.24 H new ATOM 0 HZ1 LYS A 42 14.545 -23.599 14.217 1.00 3.43 H new ATOM 0 HZ2 LYS A 42 15.952 -24.065 13.388 1.00 3.43 H new ATOM 0 HZ3 LYS A 42 14.547 -23.671 12.520 1.00 3.43 H new ATOM 692 N ARG A 43 16.955 -30.759 12.886 1.00 52.03 N ATOM 693 CA ARG A 43 17.629 -31.075 14.153 1.00 2.40 C ATOM 694 C ARG A 43 18.179 -29.800 14.819 1.00 51.34 C ATOM 695 O ARG A 43 18.641 -28.881 14.139 1.00 13.34 O ATOM 696 CB ARG A 43 18.776 -32.074 13.923 1.00 1.35 C ATOM 697 CG ARG A 43 19.951 -31.503 13.128 1.00 53.34 C ATOM 698 CD ARG A 43 21.079 -32.517 12.965 1.00 32.24 C ATOM 699 NE ARG A 43 22.238 -31.943 12.280 1.00 22.43 N ATOM 700 CZ ARG A 43 23.477 -32.297 12.505 1.00 33.24 C ATOM 701 NH1 ARG A 43 23.755 -33.196 13.391 1.00 11.12 N ATOM 702 NH2 ARG A 43 24.441 -31.746 11.845 1.00 11.24 N ATOM 0 H ARG A 43 17.581 -30.686 12.084 1.00 52.03 H new ATOM 0 HA ARG A 43 16.891 -31.526 14.817 1.00 2.40 H new ATOM 0 HB2 ARG A 43 19.140 -32.422 14.890 1.00 1.35 H new ATOM 0 HB3 ARG A 43 18.385 -32.945 13.398 1.00 1.35 H new ATOM 0 HG2 ARG A 43 19.603 -31.187 12.145 1.00 53.34 H new ATOM 0 HG3 ARG A 43 20.332 -30.615 13.632 1.00 53.34 H new ATOM 0 HD2 ARG A 43 21.382 -32.883 13.946 1.00 32.24 H new ATOM 0 HD3 ARG A 43 20.715 -33.377 12.403 1.00 32.24 H new ATOM 0 HE ARG A 43 22.068 -31.219 11.581 1.00 22.43 H new ATOM 0 HH11 ARG A 43 23.005 -33.637 13.923 1.00 11.12 H new ATOM 0 HH12 ARG A 43 24.725 -33.464 13.558 1.00 11.12 H new ATOM 0 HH21 ARG A 43 24.237 -31.032 11.145 1.00 11.24 H new ATOM 0 HH22 ARG A 43 25.406 -32.025 12.023 1.00 11.24 H new ATOM 716 N VAL A 44 18.120 -29.742 16.147 1.00 24.12 N ATOM 717 CA VAL A 44 18.648 -28.598 16.901 1.00 61.11 C ATOM 718 C VAL A 44 19.456 -29.055 18.130 1.00 20.52 C ATOM 719 O VAL A 44 18.887 -29.428 19.158 1.00 50.44 O ATOM 720 CB VAL A 44 17.505 -27.651 17.358 1.00 63.01 C ATOM 721 CG1 VAL A 44 18.046 -26.513 18.217 1.00 40.52 C ATOM 722 CG2 VAL A 44 16.736 -27.099 16.156 1.00 63.41 C ATOM 0 H VAL A 44 17.712 -30.474 16.728 1.00 24.12 H new ATOM 0 HA VAL A 44 19.312 -28.056 16.228 1.00 61.11 H new ATOM 0 HB VAL A 44 16.814 -28.235 17.965 1.00 63.01 H new ATOM 0 HG11 VAL A 44 17.224 -25.866 18.523 1.00 40.52 H new ATOM 0 HG12 VAL A 44 18.532 -26.924 19.101 1.00 40.52 H new ATOM 0 HG13 VAL A 44 18.769 -25.935 17.641 1.00 40.52 H new ATOM 0 HG21 VAL A 44 15.941 -26.439 16.504 1.00 63.41 H new ATOM 0 HG22 VAL A 44 17.417 -26.540 15.514 1.00 63.41 H new ATOM 0 HG23 VAL A 44 16.301 -27.924 15.592 1.00 63.41 H new ATOM 732 N SER A 45 20.782 -29.044 18.008 1.00 74.13 N ATOM 733 CA SER A 45 21.671 -29.394 19.127 1.00 12.51 C ATOM 734 C SER A 45 22.038 -28.146 19.949 1.00 54.34 C ATOM 735 O SER A 45 22.777 -27.284 19.473 1.00 23.31 O ATOM 736 CB SER A 45 22.955 -30.072 18.611 1.00 24.14 C ATOM 737 OG SER A 45 23.720 -29.203 17.783 1.00 5.40 O ATOM 0 H SER A 45 21.270 -28.797 17.147 1.00 74.13 H new ATOM 0 HA SER A 45 21.135 -30.092 19.770 1.00 12.51 H new ATOM 0 HB2 SER A 45 23.561 -30.393 19.458 1.00 24.14 H new ATOM 0 HB3 SER A 45 22.691 -30.969 18.050 1.00 24.14 H new ATOM 0 HG SER A 45 23.568 -28.274 18.055 1.00 5.40 H new ATOM 743 N PRO A 46 21.536 -28.033 21.200 1.00 3.32 N ATOM 744 CA PRO A 46 21.782 -26.853 22.059 1.00 51.10 C ATOM 745 C PRO A 46 23.272 -26.623 22.355 1.00 72.34 C ATOM 746 O PRO A 46 23.710 -25.488 22.542 1.00 21.21 O ATOM 747 CB PRO A 46 21.017 -27.182 23.355 1.00 32.05 C ATOM 748 CG PRO A 46 20.837 -28.663 23.330 1.00 53.23 C ATOM 749 CD PRO A 46 20.698 -29.034 21.880 1.00 12.14 C ATOM 0 HA PRO A 46 21.454 -25.933 21.575 1.00 51.10 H new ATOM 0 HB2 PRO A 46 21.577 -26.867 24.235 1.00 32.05 H new ATOM 0 HB3 PRO A 46 20.056 -26.668 23.388 1.00 32.05 H new ATOM 0 HG2 PRO A 46 21.690 -29.168 23.783 1.00 53.23 H new ATOM 0 HG3 PRO A 46 19.954 -28.959 23.896 1.00 53.23 H new ATOM 0 HD2 PRO A 46 21.046 -30.049 21.688 1.00 12.14 H new ATOM 0 HD3 PRO A 46 19.661 -28.984 21.548 1.00 12.14 H new ATOM 757 N SER A 47 24.042 -27.708 22.398 1.00 52.22 N ATOM 758 CA SER A 47 25.486 -27.637 22.657 1.00 50.22 C ATOM 759 C SER A 47 26.276 -27.313 21.382 1.00 52.13 C ATOM 760 O SER A 47 27.457 -26.976 21.447 1.00 44.42 O ATOM 761 CB SER A 47 25.979 -28.970 23.231 1.00 72.33 C ATOM 762 OG SER A 47 25.718 -30.037 22.330 1.00 21.34 O ATOM 0 H SER A 47 23.691 -28.655 22.256 1.00 52.22 H new ATOM 0 HA SER A 47 25.653 -26.834 23.375 1.00 50.22 H new ATOM 0 HB2 SER A 47 27.049 -28.911 23.431 1.00 72.33 H new ATOM 0 HB3 SER A 47 25.487 -29.165 24.184 1.00 72.33 H new ATOM 0 HG SER A 47 26.150 -30.854 22.657 1.00 21.34 H new ATOM 768 N GLY A 48 25.620 -27.425 20.224 1.00 64.13 N ATOM 769 CA GLY A 48 26.286 -27.181 18.946 1.00 74.32 C ATOM 770 C GLY A 48 27.454 -28.125 18.682 1.00 61.01 C ATOM 771 O GLY A 48 28.372 -27.794 17.929 1.00 54.22 O ATOM 0 H GLY A 48 24.636 -27.681 20.147 1.00 64.13 H new ATOM 0 HA2 GLY A 48 25.558 -27.281 18.141 1.00 74.32 H new ATOM 0 HA3 GLY A 48 26.647 -26.153 18.923 1.00 74.32 H new ATOM 775 N GLU A 49 27.416 -29.311 19.288 1.00 72.53 N ATOM 776 CA GLU A 49 28.513 -30.282 19.168 1.00 10.12 C ATOM 777 C GLU A 49 28.414 -31.131 17.888 1.00 3.43 C ATOM 778 O GLU A 49 29.138 -32.119 17.738 1.00 23.12 O ATOM 779 CB GLU A 49 28.547 -31.198 20.398 1.00 63.10 C ATOM 780 CG GLU A 49 27.314 -32.078 20.558 1.00 74.31 C ATOM 781 CD GLU A 49 27.423 -33.003 21.758 1.00 30.51 C ATOM 782 OE1 GLU A 49 27.156 -32.549 22.890 1.00 71.21 O ATOM 783 OE2 GLU A 49 27.807 -34.179 21.581 1.00 65.25 O ATOM 0 H GLU A 49 26.639 -29.627 19.868 1.00 72.53 H new ATOM 0 HA GLU A 49 29.438 -29.709 19.107 1.00 10.12 H new ATOM 0 HB2 GLU A 49 29.429 -31.836 20.337 1.00 63.10 H new ATOM 0 HB3 GLU A 49 28.659 -30.583 21.291 1.00 63.10 H new ATOM 0 HG2 GLU A 49 26.431 -31.448 20.666 1.00 74.31 H new ATOM 0 HG3 GLU A 49 27.173 -32.672 19.655 1.00 74.31 H new ATOM 790 N LYS A 50 27.513 -30.745 16.980 1.00 3.20 N ATOM 791 CA LYS A 50 27.316 -31.426 15.681 1.00 31.55 C ATOM 792 C LYS A 50 26.604 -32.782 15.816 1.00 10.34 C ATOM 793 O LYS A 50 25.829 -33.178 14.946 1.00 51.12 O ATOM 794 CB LYS A 50 28.648 -31.594 14.928 1.00 12.14 C ATOM 795 CG LYS A 50 29.326 -30.272 14.575 1.00 2.12 C ATOM 796 CD LYS A 50 30.619 -30.487 13.790 1.00 12.42 C ATOM 797 CE LYS A 50 31.667 -31.244 14.601 1.00 34.43 C ATOM 798 NZ LYS A 50 32.890 -31.523 13.804 1.00 53.21 N ATOM 0 H LYS A 50 26.892 -29.948 17.119 1.00 3.20 H new ATOM 0 HA LYS A 50 26.662 -30.777 15.099 1.00 31.55 H new ATOM 0 HB2 LYS A 50 29.328 -32.189 15.538 1.00 12.14 H new ATOM 0 HB3 LYS A 50 28.468 -32.156 14.011 1.00 12.14 H new ATOM 0 HG2 LYS A 50 28.642 -29.659 13.988 1.00 2.12 H new ATOM 0 HG3 LYS A 50 29.544 -29.720 15.489 1.00 2.12 H new ATOM 0 HD2 LYS A 50 30.400 -31.040 12.877 1.00 12.42 H new ATOM 0 HD3 LYS A 50 31.024 -29.521 13.488 1.00 12.42 H new ATOM 0 HE2 LYS A 50 31.934 -30.662 15.483 1.00 34.43 H new ATOM 0 HE3 LYS A 50 31.243 -32.183 14.956 1.00 34.43 H new ATOM 0 HZ1 LYS A 50 33.577 -32.038 14.391 1.00 53.21 H new ATOM 0 HZ2 LYS A 50 32.640 -32.100 12.976 1.00 53.21 H new ATOM 0 HZ3 LYS A 50 33.310 -30.626 13.487 1.00 53.21 H new ATOM 812 N THR A 51 26.881 -33.489 16.898 1.00 33.44 N ATOM 813 CA THR A 51 26.217 -34.764 17.197 1.00 23.23 C ATOM 814 C THR A 51 24.705 -34.552 17.403 1.00 12.14 C ATOM 815 O THR A 51 24.261 -33.439 17.685 1.00 11.22 O ATOM 816 CB THR A 51 26.835 -35.423 18.460 1.00 30.01 C ATOM 817 OG1 THR A 51 28.264 -35.493 18.329 1.00 70.10 O ATOM 818 CG2 THR A 51 26.290 -36.830 18.689 1.00 22.13 C ATOM 0 H THR A 51 27.568 -33.205 17.596 1.00 33.44 H new ATOM 0 HA THR A 51 26.367 -35.429 16.347 1.00 23.23 H new ATOM 0 HB THR A 51 26.564 -34.804 19.315 1.00 30.01 H new ATOM 0 HG1 THR A 51 28.646 -35.908 19.130 1.00 70.10 H new ATOM 0 HG21 THR A 51 26.747 -37.256 19.582 1.00 22.13 H new ATOM 0 HG22 THR A 51 25.209 -36.784 18.821 1.00 22.13 H new ATOM 0 HG23 THR A 51 26.524 -37.456 17.828 1.00 22.13 H new ATOM 826 N LEU A 52 23.915 -35.619 17.287 1.00 53.32 N ATOM 827 CA LEU A 52 22.446 -35.513 17.338 1.00 35.31 C ATOM 828 C LEU A 52 21.909 -35.244 18.766 1.00 54.15 C ATOM 829 O LEU A 52 20.733 -35.478 19.048 1.00 24.33 O ATOM 830 CB LEU A 52 21.801 -36.795 16.769 1.00 74.21 C ATOM 831 CG LEU A 52 22.046 -37.074 15.270 1.00 12.35 C ATOM 832 CD1 LEU A 52 21.659 -35.868 14.421 1.00 63.34 C ATOM 833 CD2 LEU A 52 23.496 -37.475 15.006 1.00 10.40 C ATOM 0 H LEU A 52 24.262 -36.569 17.157 1.00 53.32 H new ATOM 0 HA LEU A 52 22.172 -34.653 16.726 1.00 35.31 H new ATOM 0 HB2 LEU A 52 22.170 -37.647 17.341 1.00 74.21 H new ATOM 0 HB3 LEU A 52 20.725 -36.740 16.936 1.00 74.21 H new ATOM 0 HG LEU A 52 21.411 -37.913 14.985 1.00 12.35 H new ATOM 0 HD11 LEU A 52 21.841 -36.090 13.369 1.00 63.34 H new ATOM 0 HD12 LEU A 52 20.602 -35.644 14.567 1.00 63.34 H new ATOM 0 HD13 LEU A 52 22.257 -35.007 14.719 1.00 63.34 H new ATOM 0 HD21 LEU A 52 23.633 -37.664 13.941 1.00 10.40 H new ATOM 0 HD22 LEU A 52 24.159 -36.669 15.320 1.00 10.40 H new ATOM 0 HD23 LEU A 52 23.732 -38.379 15.568 1.00 10.40 H new ATOM 845 N ARG A 53 22.756 -34.720 19.651 1.00 53.12 N ATOM 846 CA ARG A 53 22.355 -34.428 21.031 1.00 52.45 C ATOM 847 C ARG A 53 21.519 -33.139 21.094 1.00 62.21 C ATOM 848 O ARG A 53 22.044 -32.060 21.384 1.00 52.04 O ATOM 849 CB ARG A 53 23.592 -34.276 21.933 1.00 54.12 C ATOM 850 CG ARG A 53 24.566 -35.450 21.887 1.00 21.00 C ATOM 851 CD ARG A 53 23.930 -36.761 22.343 1.00 10.15 C ATOM 852 NE ARG A 53 24.934 -37.807 22.549 1.00 64.23 N ATOM 853 CZ ARG A 53 24.726 -39.084 22.372 1.00 22.12 C ATOM 854 NH1 ARG A 53 23.588 -39.518 21.926 1.00 64.40 N ATOM 855 NH2 ARG A 53 25.672 -39.928 22.631 1.00 22.01 N ATOM 0 H ARG A 53 23.726 -34.488 19.439 1.00 53.12 H new ATOM 0 HA ARG A 53 21.751 -35.263 21.386 1.00 52.45 H new ATOM 0 HB2 ARG A 53 24.124 -33.369 21.646 1.00 54.12 H new ATOM 0 HB3 ARG A 53 23.259 -34.138 22.962 1.00 54.12 H new ATOM 0 HG2 ARG A 53 24.940 -35.567 20.870 1.00 21.00 H new ATOM 0 HG3 ARG A 53 25.426 -35.229 22.519 1.00 21.00 H new ATOM 0 HD2 ARG A 53 23.381 -36.596 23.270 1.00 10.15 H new ATOM 0 HD3 ARG A 53 23.206 -37.093 21.599 1.00 10.15 H new ATOM 0 HE ARG A 53 25.863 -37.517 22.853 1.00 64.23 H new ATOM 0 HH11 ARG A 53 22.841 -38.859 21.708 1.00 64.40 H new ATOM 0 HH12 ARG A 53 23.440 -40.518 21.793 1.00 64.40 H new ATOM 0 HH21 ARG A 53 26.574 -39.595 22.971 1.00 22.01 H new ATOM 0 HH22 ARG A 53 25.516 -40.927 22.495 1.00 22.01 H new ATOM 869 N GLY A 54 20.226 -33.239 20.792 1.00 20.11 N ATOM 870 CA GLY A 54 19.373 -32.055 20.835 1.00 32.15 C ATOM 871 C GLY A 54 17.902 -32.310 20.517 1.00 72.25 C ATOM 872 O GLY A 54 17.450 -33.458 20.458 1.00 45.43 O ATOM 0 H GLY A 54 19.756 -34.103 20.522 1.00 20.11 H new ATOM 0 HA2 GLY A 54 19.443 -31.611 21.828 1.00 32.15 H new ATOM 0 HA3 GLY A 54 19.760 -31.320 20.129 1.00 32.15 H new ATOM 876 N THR A 55 17.160 -31.221 20.305 1.00 13.23 N ATOM 877 CA THR A 55 15.713 -31.277 20.059 1.00 14.02 C ATOM 878 C THR A 55 15.402 -31.375 18.557 1.00 13.55 C ATOM 879 O THR A 55 16.116 -30.814 17.725 1.00 22.24 O ATOM 880 CB THR A 55 15.002 -30.021 20.634 1.00 53.44 C ATOM 881 OG1 THR A 55 15.310 -29.866 22.029 1.00 63.35 O ATOM 882 CG2 THR A 55 13.486 -30.105 20.461 1.00 21.31 C ATOM 0 H THR A 55 17.542 -30.275 20.299 1.00 13.23 H new ATOM 0 HA THR A 55 15.342 -32.171 20.561 1.00 14.02 H new ATOM 0 HB THR A 55 15.368 -29.158 20.077 1.00 53.44 H new ATOM 0 HG1 THR A 55 14.857 -29.070 22.378 1.00 63.35 H new ATOM 0 HG21 THR A 55 13.022 -29.209 20.875 1.00 21.31 H new ATOM 0 HG22 THR A 55 13.244 -30.182 19.401 1.00 21.31 H new ATOM 0 HG23 THR A 55 13.108 -30.984 20.984 1.00 21.31 H new ATOM 890 N THR A 56 14.336 -32.095 18.218 1.00 13.32 N ATOM 891 CA THR A 56 13.900 -32.234 16.822 1.00 24.30 C ATOM 892 C THR A 56 12.621 -31.425 16.563 1.00 53.35 C ATOM 893 O THR A 56 11.541 -31.777 17.047 1.00 4.31 O ATOM 894 CB THR A 56 13.650 -33.720 16.452 1.00 3.43 C ATOM 895 OG1 THR A 56 14.827 -34.504 16.723 1.00 64.32 O ATOM 896 CG2 THR A 56 13.270 -33.870 14.980 1.00 3.12 C ATOM 0 H THR A 56 13.753 -32.595 18.890 1.00 13.32 H new ATOM 0 HA THR A 56 14.704 -31.847 16.196 1.00 24.30 H new ATOM 0 HB THR A 56 12.821 -34.078 17.062 1.00 3.43 H new ATOM 0 HG1 THR A 56 14.658 -35.440 16.488 1.00 64.32 H new ATOM 0 HG21 THR A 56 13.102 -34.923 14.753 1.00 3.12 H new ATOM 0 HG22 THR A 56 12.359 -33.306 14.780 1.00 3.12 H new ATOM 0 HG23 THR A 56 14.078 -33.489 14.355 1.00 3.12 H new ATOM 904 N TRP A 57 12.749 -30.338 15.803 1.00 54.12 N ATOM 905 CA TRP A 57 11.616 -29.445 15.523 1.00 44.44 C ATOM 906 C TRP A 57 10.944 -29.787 14.185 1.00 42.12 C ATOM 907 O TRP A 57 11.615 -29.980 13.172 1.00 65.10 O ATOM 908 CB TRP A 57 12.080 -27.983 15.519 1.00 60.43 C ATOM 909 CG TRP A 57 12.580 -27.508 16.857 1.00 73.43 C ATOM 910 CD1 TRP A 57 13.748 -27.860 17.473 1.00 21.22 C ATOM 911 CD2 TRP A 57 11.922 -26.594 17.745 1.00 13.42 C ATOM 912 NE1 TRP A 57 13.857 -27.215 18.681 1.00 4.01 N ATOM 913 CE2 TRP A 57 12.749 -26.438 18.872 1.00 11.21 C ATOM 914 CE3 TRP A 57 10.715 -25.894 17.694 1.00 63.01 C ATOM 915 CZ2 TRP A 57 12.409 -25.610 19.937 1.00 35.11 C ATOM 916 CZ3 TRP A 57 10.376 -25.073 18.753 1.00 1.33 C ATOM 917 CH2 TRP A 57 11.220 -24.938 19.863 1.00 11.02 C ATOM 0 H TRP A 57 13.626 -30.051 15.368 1.00 54.12 H new ATOM 0 HA TRP A 57 10.880 -29.587 16.314 1.00 44.44 H new ATOM 0 HB2 TRP A 57 12.873 -27.864 14.781 1.00 60.43 H new ATOM 0 HB3 TRP A 57 11.252 -27.348 15.203 1.00 60.43 H new ATOM 0 HD1 TRP A 57 14.479 -28.545 17.069 1.00 21.22 H new ATOM 0 HE1 TRP A 57 14.639 -27.302 19.331 1.00 4.01 H new ATOM 0 HE3 TRP A 57 10.058 -25.992 16.842 1.00 63.01 H new ATOM 0 HZ2 TRP A 57 13.061 -25.502 20.792 1.00 35.11 H new ATOM 0 HZ3 TRP A 57 9.445 -24.526 18.724 1.00 1.33 H new ATOM 0 HH2 TRP A 57 10.926 -24.291 20.676 1.00 11.02 H new ATOM 928 N TYR A 58 9.616 -29.848 14.194 1.00 51.21 N ATOM 929 CA TYR A 58 8.836 -30.206 13.005 1.00 31.24 C ATOM 930 C TYR A 58 8.329 -28.959 12.265 1.00 70.41 C ATOM 931 O TYR A 58 7.893 -27.984 12.884 1.00 44.52 O ATOM 932 CB TYR A 58 7.658 -31.107 13.408 1.00 62.41 C ATOM 933 CG TYR A 58 8.094 -32.436 14.003 1.00 4.55 C ATOM 934 CD1 TYR A 58 8.585 -32.511 15.303 1.00 52.30 C ATOM 935 CD2 TYR A 58 8.026 -33.613 13.263 1.00 12.34 C ATOM 936 CE1 TYR A 58 9.000 -33.712 15.842 1.00 44.14 C ATOM 937 CE2 TYR A 58 8.437 -34.820 13.800 1.00 74.13 C ATOM 938 CZ TYR A 58 8.922 -34.863 15.089 1.00 23.44 C ATOM 939 OH TYR A 58 9.336 -36.059 15.626 1.00 74.02 O ATOM 0 H TYR A 58 9.049 -29.653 15.019 1.00 51.21 H new ATOM 0 HA TYR A 58 9.489 -30.749 12.321 1.00 31.24 H new ATOM 0 HB2 TYR A 58 7.037 -30.579 14.132 1.00 62.41 H new ATOM 0 HB3 TYR A 58 7.037 -31.295 12.532 1.00 62.41 H new ATOM 0 HD1 TYR A 58 8.642 -31.613 15.901 1.00 52.30 H new ATOM 0 HD2 TYR A 58 7.646 -33.584 12.253 1.00 12.34 H new ATOM 0 HE1 TYR A 58 9.385 -33.749 16.851 1.00 44.14 H new ATOM 0 HE2 TYR A 58 8.378 -35.724 13.212 1.00 74.13 H new ATOM 0 HH TYR A 58 9.199 -36.047 16.596 1.00 74.02 H new ATOM 949 N ASN A 59 8.389 -29.000 10.936 1.00 23.12 N ATOM 950 CA ASN A 59 7.966 -27.874 10.098 1.00 53.15 C ATOM 951 C ASN A 59 6.436 -27.839 9.934 1.00 43.32 C ATOM 952 O ASN A 59 5.884 -28.509 9.058 1.00 2.51 O ATOM 953 CB ASN A 59 8.628 -27.963 8.713 1.00 34.11 C ATOM 954 CG ASN A 59 10.144 -28.028 8.780 1.00 41.11 C ATOM 955 OD1 ASN A 59 10.720 -28.527 9.735 1.00 23.44 O ATOM 956 ND2 ASN A 59 10.803 -27.542 7.751 1.00 40.11 N ATOM 0 H ASN A 59 8.729 -29.806 10.411 1.00 23.12 H new ATOM 0 HA ASN A 59 8.280 -26.956 10.596 1.00 53.15 H new ATOM 0 HB2 ASN A 59 8.255 -28.846 8.195 1.00 34.11 H new ATOM 0 HB3 ASN A 59 8.333 -27.097 8.120 1.00 34.11 H new ATOM 0 HD21 ASN A 59 11.822 -27.576 7.736 1.00 40.11 H new ATOM 0 HD22 ASN A 59 10.295 -27.131 6.968 1.00 40.11 H new ATOM 963 N TYR A 60 5.755 -27.055 10.773 1.00 61.42 N ATOM 964 CA TYR A 60 4.288 -26.939 10.711 1.00 54.51 C ATOM 965 C TYR A 60 3.783 -26.505 9.314 1.00 61.30 C ATOM 966 O TYR A 60 2.883 -27.142 8.766 1.00 74.31 O ATOM 967 CB TYR A 60 3.771 -25.972 11.787 1.00 41.11 C ATOM 968 CG TYR A 60 2.274 -25.714 11.704 1.00 22.44 C ATOM 969 CD1 TYR A 60 1.354 -26.716 12.004 1.00 61.42 C ATOM 970 CD2 TYR A 60 1.783 -24.473 11.312 1.00 14.11 C ATOM 971 CE1 TYR A 60 -0.006 -26.487 11.914 1.00 55.24 C ATOM 972 CE2 TYR A 60 0.425 -24.238 11.225 1.00 43.24 C ATOM 973 CZ TYR A 60 -0.465 -25.247 11.523 1.00 13.35 C ATOM 974 OH TYR A 60 -1.819 -25.015 11.425 1.00 5.23 O ATOM 0 H TYR A 60 6.190 -26.491 11.503 1.00 61.42 H new ATOM 0 HA TYR A 60 3.889 -27.935 10.903 1.00 54.51 H new ATOM 0 HB2 TYR A 60 4.008 -26.376 12.771 1.00 41.11 H new ATOM 0 HB3 TYR A 60 4.300 -25.024 11.696 1.00 41.11 H new ATOM 0 HD1 TYR A 60 1.709 -27.688 12.312 1.00 61.42 H new ATOM 0 HD2 TYR A 60 2.476 -23.680 11.072 1.00 14.11 H new ATOM 0 HE1 TYR A 60 -0.706 -27.275 12.149 1.00 55.24 H new ATOM 0 HE2 TYR A 60 0.062 -23.266 10.924 1.00 43.24 H new ATOM 0 HH TYR A 60 -1.973 -24.091 11.138 1.00 5.23 H new ATOM 984 N PRO A 61 4.342 -25.425 8.707 1.00 21.01 N ATOM 985 CA PRO A 61 3.916 -24.966 7.369 1.00 52.45 C ATOM 986 C PRO A 61 4.041 -26.062 6.295 1.00 25.45 C ATOM 987 O PRO A 61 3.353 -26.021 5.279 1.00 63.32 O ATOM 988 CB PRO A 61 4.864 -23.789 7.060 1.00 12.12 C ATOM 989 CG PRO A 61 5.998 -23.940 8.020 1.00 35.45 C ATOM 990 CD PRO A 61 5.408 -24.566 9.253 1.00 62.32 C ATOM 0 HA PRO A 61 2.862 -24.688 7.361 1.00 52.45 H new ATOM 0 HB2 PRO A 61 5.214 -23.825 6.028 1.00 12.12 H new ATOM 0 HB3 PRO A 61 4.360 -22.832 7.193 1.00 12.12 H new ATOM 0 HG2 PRO A 61 6.785 -24.567 7.601 1.00 35.45 H new ATOM 0 HG3 PRO A 61 6.448 -22.974 8.249 1.00 35.45 H new ATOM 0 HD2 PRO A 61 6.148 -25.143 9.807 1.00 62.32 H new ATOM 0 HD3 PRO A 61 5.012 -23.816 9.937 1.00 62.32 H new ATOM 998 N GLU A 62 4.915 -27.041 6.533 1.00 34.50 N ATOM 999 CA GLU A 62 5.107 -28.168 5.608 1.00 11.53 C ATOM 1000 C GLU A 62 4.154 -29.330 5.920 1.00 1.24 C ATOM 1001 O GLU A 62 3.556 -29.914 5.014 1.00 13.31 O ATOM 1002 CB GLU A 62 6.564 -28.653 5.659 1.00 73.10 C ATOM 1003 CG GLU A 62 7.491 -27.913 4.704 1.00 24.25 C ATOM 1004 CD GLU A 62 7.262 -28.308 3.250 1.00 21.33 C ATOM 1005 OE1 GLU A 62 6.349 -27.752 2.606 1.00 14.22 O ATOM 1006 OE2 GLU A 62 7.997 -29.184 2.746 1.00 72.41 O ATOM 0 H GLU A 62 5.506 -27.079 7.363 1.00 34.50 H new ATOM 0 HA GLU A 62 4.879 -27.812 4.603 1.00 11.53 H new ATOM 0 HB2 GLU A 62 6.940 -28.540 6.676 1.00 73.10 H new ATOM 0 HB3 GLU A 62 6.591 -29.717 5.426 1.00 73.10 H new ATOM 0 HG2 GLU A 62 7.340 -26.839 4.814 1.00 24.25 H new ATOM 0 HG3 GLU A 62 8.527 -28.119 4.975 1.00 24.25 H new ATOM 1013 N ILE A 63 4.024 -29.669 7.200 1.00 74.24 N ATOM 1014 CA ILE A 63 3.134 -30.753 7.627 1.00 4.13 C ATOM 1015 C ILE A 63 1.662 -30.393 7.376 1.00 51.35 C ATOM 1016 O ILE A 63 0.912 -31.178 6.794 1.00 64.24 O ATOM 1017 CB ILE A 63 3.351 -31.092 9.124 1.00 43.45 C ATOM 1018 CG1 ILE A 63 4.809 -31.530 9.351 1.00 54.53 C ATOM 1019 CG2 ILE A 63 2.373 -32.174 9.588 1.00 61.14 C ATOM 1020 CD1 ILE A 63 5.154 -31.812 10.799 1.00 12.51 C ATOM 0 H ILE A 63 4.523 -29.210 7.962 1.00 74.24 H new ATOM 0 HA ILE A 63 3.380 -31.632 7.032 1.00 4.13 H new ATOM 0 HB ILE A 63 3.157 -30.200 9.719 1.00 43.45 H new ATOM 0 HG12 ILE A 63 5.003 -32.426 8.762 1.00 54.53 H new ATOM 0 HG13 ILE A 63 5.473 -30.751 8.976 1.00 54.53 H new ATOM 0 HG21 ILE A 63 2.546 -32.393 10.642 1.00 61.14 H new ATOM 0 HG22 ILE A 63 1.350 -31.822 9.454 1.00 61.14 H new ATOM 0 HG23 ILE A 63 2.525 -33.079 8.999 1.00 61.14 H new ATOM 0 HD11 ILE A 63 6.199 -32.114 10.872 1.00 12.51 H new ATOM 0 HD12 ILE A 63 4.994 -30.912 11.393 1.00 12.51 H new ATOM 0 HD13 ILE A 63 4.517 -32.613 11.175 1.00 12.51 H new ATOM 1032 N ASN A 64 1.262 -29.198 7.806 1.00 30.31 N ATOM 1033 CA ASN A 64 -0.088 -28.689 7.534 1.00 11.42 C ATOM 1034 C ASN A 64 -0.357 -28.666 6.020 1.00 3.43 C ATOM 1035 O ASN A 64 -1.393 -29.135 5.548 1.00 42.32 O ATOM 1036 CB ASN A 64 -0.249 -27.280 8.126 1.00 10.30 C ATOM 1037 CG ASN A 64 -1.651 -26.719 7.960 1.00 45.13 C ATOM 1038 OD1 ASN A 64 -2.634 -27.451 7.969 1.00 45.23 O ATOM 1039 ND2 ASN A 64 -1.752 -25.413 7.807 1.00 25.32 N ATOM 0 H ASN A 64 1.850 -28.562 8.344 1.00 30.31 H new ATOM 0 HA ASN A 64 -0.814 -29.353 8.004 1.00 11.42 H new ATOM 0 HB2 ASN A 64 0.001 -27.307 9.186 1.00 10.30 H new ATOM 0 HB3 ASN A 64 0.464 -26.608 7.648 1.00 10.30 H new ATOM 0 HD21 ASN A 64 -2.669 -24.983 7.691 1.00 25.32 H new ATOM 0 HD22 ASN A 64 -0.913 -24.833 7.804 1.00 25.32 H new ATOM 1046 N LYS A 65 0.602 -28.128 5.273 1.00 40.23 N ATOM 1047 CA LYS A 65 0.547 -28.107 3.807 1.00 43.04 C ATOM 1048 C LYS A 65 0.384 -29.520 3.218 1.00 71.24 C ATOM 1049 O LYS A 65 -0.399 -29.724 2.293 1.00 1.11 O ATOM 1050 CB LYS A 65 1.818 -27.427 3.276 1.00 73.15 C ATOM 1051 CG LYS A 65 2.165 -27.712 1.819 1.00 70.44 C ATOM 1052 CD LYS A 65 3.341 -26.850 1.359 1.00 42.44 C ATOM 1053 CE LYS A 65 4.048 -27.435 0.144 1.00 1.11 C ATOM 1054 NZ LYS A 65 4.763 -28.700 0.472 1.00 73.13 N ATOM 0 H LYS A 65 1.439 -27.694 5.661 1.00 40.23 H new ATOM 0 HA LYS A 65 -0.330 -27.541 3.494 1.00 43.04 H new ATOM 0 HB2 LYS A 65 1.709 -26.350 3.400 1.00 73.15 H new ATOM 0 HB3 LYS A 65 2.659 -27.736 3.897 1.00 73.15 H new ATOM 0 HG2 LYS A 65 2.414 -28.767 1.700 1.00 70.44 H new ATOM 0 HG3 LYS A 65 1.297 -27.516 1.189 1.00 70.44 H new ATOM 0 HD2 LYS A 65 2.983 -25.849 1.120 1.00 42.44 H new ATOM 0 HD3 LYS A 65 4.054 -26.747 2.177 1.00 42.44 H new ATOM 0 HE2 LYS A 65 3.319 -27.624 -0.644 1.00 1.11 H new ATOM 0 HE3 LYS A 65 4.759 -26.707 -0.247 1.00 1.11 H new ATOM 0 HZ1 LYS A 65 5.392 -28.957 -0.315 1.00 73.13 H new ATOM 0 HZ2 LYS A 65 5.327 -28.566 1.336 1.00 73.13 H new ATOM 0 HZ3 LYS A 65 4.070 -29.461 0.625 1.00 73.13 H new ATOM 1068 N PHE A 66 1.113 -30.488 3.771 1.00 2.43 N ATOM 1069 CA PHE A 66 1.022 -31.889 3.335 1.00 63.55 C ATOM 1070 C PHE A 66 -0.397 -32.446 3.552 1.00 62.54 C ATOM 1071 O PHE A 66 -0.984 -33.058 2.655 1.00 75.34 O ATOM 1072 CB PHE A 66 2.055 -32.730 4.101 1.00 2.34 C ATOM 1073 CG PHE A 66 2.043 -34.200 3.755 1.00 51.30 C ATOM 1074 CD1 PHE A 66 2.624 -34.658 2.580 1.00 13.24 C ATOM 1075 CD2 PHE A 66 1.441 -35.125 4.602 1.00 42.01 C ATOM 1076 CE1 PHE A 66 2.609 -36.004 2.260 1.00 53.21 C ATOM 1077 CE2 PHE A 66 1.423 -36.470 4.284 1.00 4.24 C ATOM 1078 CZ PHE A 66 2.006 -36.910 3.111 1.00 50.41 C ATOM 0 H PHE A 66 1.779 -30.330 4.527 1.00 2.43 H new ATOM 0 HA PHE A 66 1.236 -31.939 2.267 1.00 63.55 H new ATOM 0 HB2 PHE A 66 3.050 -32.331 3.903 1.00 2.34 H new ATOM 0 HB3 PHE A 66 1.875 -32.619 5.170 1.00 2.34 H new ATOM 0 HD1 PHE A 66 3.093 -33.955 1.908 1.00 13.24 H new ATOM 0 HD2 PHE A 66 0.982 -34.788 5.520 1.00 42.01 H new ATOM 0 HE1 PHE A 66 3.069 -36.346 1.345 1.00 53.21 H new ATOM 0 HE2 PHE A 66 0.953 -37.177 4.952 1.00 4.24 H new ATOM 0 HZ PHE A 66 1.990 -37.960 2.860 1.00 50.41 H new ATOM 1088 N ILE A 67 -0.942 -32.217 4.745 1.00 33.24 N ATOM 1089 CA ILE A 67 -2.300 -32.662 5.085 1.00 21.14 C ATOM 1090 C ILE A 67 -3.349 -32.019 4.160 1.00 54.34 C ATOM 1091 O ILE A 67 -4.169 -32.711 3.548 1.00 14.40 O ATOM 1092 CB ILE A 67 -2.638 -32.317 6.559 1.00 74.51 C ATOM 1093 CG1 ILE A 67 -1.616 -32.968 7.508 1.00 3.25 C ATOM 1094 CG2 ILE A 67 -4.061 -32.757 6.910 1.00 64.52 C ATOM 1095 CD1 ILE A 67 -1.771 -32.551 8.956 1.00 73.31 C ATOM 0 H ILE A 67 -0.464 -31.723 5.499 1.00 33.24 H new ATOM 0 HA ILE A 67 -2.329 -33.743 4.950 1.00 21.14 H new ATOM 0 HB ILE A 67 -2.582 -31.235 6.680 1.00 74.51 H new ATOM 0 HG12 ILE A 67 -1.711 -34.052 7.440 1.00 3.25 H new ATOM 0 HG13 ILE A 67 -0.610 -32.714 7.173 1.00 3.25 H new ATOM 0 HG21 ILE A 67 -4.274 -32.504 7.949 1.00 64.52 H new ATOM 0 HG22 ILE A 67 -4.771 -32.246 6.259 1.00 64.52 H new ATOM 0 HG23 ILE A 67 -4.153 -33.834 6.773 1.00 64.52 H new ATOM 0 HD11 ILE A 67 -1.015 -33.051 9.562 1.00 73.31 H new ATOM 0 HD12 ILE A 67 -1.646 -31.471 9.039 1.00 73.31 H new ATOM 0 HD13 ILE A 67 -2.763 -32.830 9.311 1.00 73.31 H new ATOM 1107 N ARG A 68 -3.308 -30.694 4.052 1.00 21.32 N ATOM 1108 CA ARG A 68 -4.265 -29.949 3.225 1.00 74.12 C ATOM 1109 C ARG A 68 -4.086 -30.260 1.728 1.00 54.24 C ATOM 1110 O ARG A 68 -5.026 -30.129 0.943 1.00 71.30 O ATOM 1111 CB ARG A 68 -4.108 -28.441 3.470 1.00 0.21 C ATOM 1112 CG ARG A 68 -4.227 -28.043 4.939 1.00 34.31 C ATOM 1113 CD ARG A 68 -5.608 -28.350 5.515 1.00 42.04 C ATOM 1114 NE ARG A 68 -5.651 -28.151 6.963 1.00 44.20 N ATOM 1115 CZ ARG A 68 -6.017 -27.042 7.549 1.00 4.05 C ATOM 1116 NH1 ARG A 68 -6.347 -26.003 6.853 1.00 63.34 N ATOM 1117 NH2 ARG A 68 -6.042 -26.970 8.840 1.00 65.05 N ATOM 0 H ARG A 68 -2.621 -30.108 4.527 1.00 21.32 H new ATOM 0 HA ARG A 68 -5.268 -30.263 3.513 1.00 74.12 H new ATOM 0 HB2 ARG A 68 -3.137 -28.120 3.093 1.00 0.21 H new ATOM 0 HB3 ARG A 68 -4.865 -27.908 2.896 1.00 0.21 H new ATOM 0 HG2 ARG A 68 -3.469 -28.571 5.518 1.00 34.31 H new ATOM 0 HG3 ARG A 68 -4.022 -26.977 5.042 1.00 34.31 H new ATOM 0 HD2 ARG A 68 -6.351 -27.710 5.038 1.00 42.04 H new ATOM 0 HD3 ARG A 68 -5.878 -29.380 5.282 1.00 42.04 H new ATOM 0 HE ARG A 68 -5.376 -28.933 7.557 1.00 44.20 H new ATOM 0 HH11 ARG A 68 -6.323 -26.043 5.834 1.00 63.34 H new ATOM 0 HH12 ARG A 68 -6.631 -25.143 7.323 1.00 63.34 H new ATOM 0 HH21 ARG A 68 -5.776 -27.779 9.401 1.00 65.05 H new ATOM 0 HH22 ARG A 68 -6.328 -26.104 9.297 1.00 65.05 H new ATOM 1131 N ASP A 69 -2.878 -30.672 1.346 1.00 75.12 N ATOM 1132 CA ASP A 69 -2.571 -31.017 -0.046 1.00 21.22 C ATOM 1133 C ASP A 69 -3.366 -32.252 -0.514 1.00 44.11 C ATOM 1134 O ASP A 69 -4.040 -32.215 -1.546 1.00 3.51 O ATOM 1135 CB ASP A 69 -1.065 -31.268 -0.190 1.00 50.53 C ATOM 1136 CG ASP A 69 -0.634 -31.479 -1.630 1.00 64.31 C ATOM 1137 OD1 ASP A 69 -0.514 -30.482 -2.372 1.00 42.44 O ATOM 1138 OD2 ASP A 69 -0.393 -32.638 -2.022 1.00 34.01 O ATOM 0 H ASP A 69 -2.089 -30.776 1.984 1.00 75.12 H new ATOM 0 HA ASP A 69 -2.866 -30.180 -0.679 1.00 21.22 H new ATOM 0 HB2 ASP A 69 -0.520 -30.421 0.226 1.00 50.53 H new ATOM 0 HB3 ASP A 69 -0.790 -32.144 0.398 1.00 50.53 H new ATOM 1143 N SER A 70 -3.284 -33.340 0.252 1.00 32.12 N ATOM 1144 CA SER A 70 -3.969 -34.598 -0.105 1.00 40.22 C ATOM 1145 C SER A 70 -5.443 -34.611 0.336 1.00 74.32 C ATOM 1146 O SER A 70 -6.338 -34.853 -0.476 1.00 41.22 O ATOM 1147 CB SER A 70 -3.242 -35.804 0.511 1.00 42.34 C ATOM 1148 OG SER A 70 -3.901 -37.024 0.195 1.00 13.35 O ATOM 0 H SER A 70 -2.754 -33.383 1.122 1.00 32.12 H new ATOM 0 HA SER A 70 -3.944 -34.667 -1.193 1.00 40.22 H new ATOM 0 HB2 SER A 70 -2.216 -35.838 0.145 1.00 42.34 H new ATOM 0 HB3 SER A 70 -3.191 -35.686 1.593 1.00 42.34 H new ATOM 0 HG SER A 70 -3.415 -37.773 0.599 1.00 13.35 H new ATOM 1154 N LEU A 71 -5.691 -34.349 1.621 1.00 34.50 N ATOM 1155 CA LEU A 71 -7.049 -34.437 2.186 1.00 41.13 C ATOM 1156 C LEU A 71 -7.997 -33.385 1.582 1.00 33.43 C ATOM 1157 O LEU A 71 -9.128 -33.703 1.201 1.00 1.04 O ATOM 1158 CB LEU A 71 -7.010 -34.298 3.719 1.00 62.00 C ATOM 1159 CG LEU A 71 -6.462 -35.521 4.488 1.00 11.25 C ATOM 1160 CD1 LEU A 71 -4.989 -35.775 4.166 1.00 70.43 C ATOM 1161 CD2 LEU A 71 -6.660 -35.343 5.992 1.00 74.13 C ATOM 0 H LEU A 71 -4.974 -34.074 2.293 1.00 34.50 H new ATOM 0 HA LEU A 71 -7.440 -35.421 1.926 1.00 41.13 H new ATOM 0 HB2 LEU A 71 -6.401 -33.430 3.972 1.00 62.00 H new ATOM 0 HB3 LEU A 71 -8.020 -34.092 4.073 1.00 62.00 H new ATOM 0 HG LEU A 71 -7.026 -36.395 4.162 1.00 11.25 H new ATOM 0 HD11 LEU A 71 -4.639 -36.643 4.725 1.00 70.43 H new ATOM 0 HD12 LEU A 71 -4.877 -35.962 3.098 1.00 70.43 H new ATOM 0 HD13 LEU A 71 -4.400 -34.901 4.445 1.00 70.43 H new ATOM 0 HD21 LEU A 71 -6.268 -36.214 6.516 1.00 74.13 H new ATOM 0 HD22 LEU A 71 -6.131 -34.450 6.326 1.00 74.13 H new ATOM 0 HD23 LEU A 71 -7.723 -35.237 6.209 1.00 74.13 H new ATOM 1173 N GLU A 72 -7.535 -32.134 1.513 1.00 41.33 N ATOM 1174 CA GLU A 72 -8.305 -31.031 0.900 1.00 44.23 C ATOM 1175 C GLU A 72 -9.646 -30.765 1.618 1.00 3.45 C ATOM 1176 O GLU A 72 -10.526 -30.100 1.070 1.00 74.35 O ATOM 1177 CB GLU A 72 -8.577 -31.332 -0.585 1.00 30.43 C ATOM 1178 CG GLU A 72 -7.329 -31.642 -1.404 1.00 32.30 C ATOM 1179 CD GLU A 72 -7.651 -31.966 -2.857 1.00 33.12 C ATOM 1180 OE1 GLU A 72 -8.173 -33.073 -3.126 1.00 14.12 O ATOM 1181 OE2 GLU A 72 -7.397 -31.113 -3.735 1.00 62.13 O ATOM 0 H GLU A 72 -6.625 -31.851 1.875 1.00 41.33 H new ATOM 0 HA GLU A 72 -7.694 -30.134 0.999 1.00 44.23 H new ATOM 0 HB2 GLU A 72 -9.260 -32.179 -0.652 1.00 30.43 H new ATOM 0 HB3 GLU A 72 -9.085 -30.476 -1.029 1.00 30.43 H new ATOM 0 HG2 GLU A 72 -6.652 -30.788 -1.367 1.00 32.30 H new ATOM 0 HG3 GLU A 72 -6.804 -32.485 -0.955 1.00 32.30 H new ATOM 1188 N HIS A 73 -9.800 -31.274 2.840 1.00 5.50 N ATOM 1189 CA HIS A 73 -11.049 -31.098 3.594 1.00 2.32 C ATOM 1190 C HIS A 73 -11.167 -29.650 4.107 1.00 35.00 C ATOM 1191 O HIS A 73 -10.172 -29.054 4.521 1.00 61.33 O ATOM 1192 CB HIS A 73 -11.106 -32.092 4.769 1.00 44.13 C ATOM 1193 CG HIS A 73 -12.500 -32.478 5.189 1.00 31.34 C ATOM 1194 ND1 HIS A 73 -12.772 -33.587 5.963 1.00 64.20 N ATOM 1195 CD2 HIS A 73 -13.703 -31.910 4.926 1.00 34.24 C ATOM 1196 CE1 HIS A 73 -14.072 -33.685 6.152 1.00 22.12 C ATOM 1197 NE2 HIS A 73 -14.662 -32.681 5.535 1.00 4.50 N ATOM 0 H HIS A 73 -9.083 -31.809 3.330 1.00 5.50 H new ATOM 0 HA HIS A 73 -11.889 -31.297 2.929 1.00 2.32 H new ATOM 0 HB2 HIS A 73 -10.560 -32.994 4.493 1.00 44.13 H new ATOM 0 HB3 HIS A 73 -10.590 -31.656 5.624 1.00 44.13 H new ATOM 0 HD2 HIS A 73 -13.875 -31.016 4.345 1.00 34.24 H new ATOM 0 HE1 HIS A 73 -14.571 -34.458 6.718 1.00 22.12 H new ATOM 0 HE2 HIS A 73 -15.667 -32.505 5.513 1.00 4.50 H new ATOM 1206 N HIS A 74 -12.385 -29.094 4.072 1.00 22.44 N ATOM 1207 CA HIS A 74 -12.623 -27.692 4.463 1.00 2.30 C ATOM 1208 C HIS A 74 -12.004 -27.339 5.831 1.00 50.15 C ATOM 1209 O HIS A 74 -11.720 -28.216 6.653 1.00 52.21 O ATOM 1210 CB HIS A 74 -14.130 -27.379 4.485 1.00 10.42 C ATOM 1211 CG HIS A 74 -14.880 -27.990 5.638 1.00 62.54 C ATOM 1212 ND1 HIS A 74 -14.933 -27.413 6.890 1.00 4.14 N ATOM 1213 CD2 HIS A 74 -15.622 -29.122 5.725 1.00 75.41 C ATOM 1214 CE1 HIS A 74 -15.666 -28.158 7.690 1.00 51.33 C ATOM 1215 NE2 HIS A 74 -16.097 -29.199 7.011 1.00 10.22 N ATOM 0 H HIS A 74 -13.225 -29.592 3.777 1.00 22.44 H new ATOM 0 HA HIS A 74 -12.130 -27.078 3.710 1.00 2.30 H new ATOM 0 HB2 HIS A 74 -14.263 -26.298 4.515 1.00 10.42 H new ATOM 0 HB3 HIS A 74 -14.574 -27.729 3.553 1.00 10.42 H new ATOM 0 HD1 HIS A 74 -14.474 -26.542 7.155 1.00 4.14 H new ATOM 0 HD2 HIS A 74 -15.805 -29.831 4.931 1.00 75.41 H new ATOM 0 HE1 HIS A 74 -15.878 -27.950 8.728 1.00 51.33 H new ATOM 1224 N HIS A 75 -11.830 -26.041 6.068 1.00 24.22 N ATOM 1225 CA HIS A 75 -11.218 -25.542 7.305 1.00 63.22 C ATOM 1226 C HIS A 75 -11.975 -26.034 8.555 1.00 52.35 C ATOM 1227 O HIS A 75 -13.206 -26.033 8.588 1.00 21.30 O ATOM 1228 CB HIS A 75 -11.175 -24.011 7.278 1.00 2.30 C ATOM 1229 CG HIS A 75 -10.479 -23.462 6.068 1.00 25.12 C ATOM 1230 ND1 HIS A 75 -11.151 -22.940 4.984 1.00 0.13 N ATOM 1231 CD2 HIS A 75 -9.160 -23.365 5.768 1.00 11.42 C ATOM 1232 CE1 HIS A 75 -10.281 -22.549 4.074 1.00 5.13 C ATOM 1233 NE2 HIS A 75 -9.067 -22.795 4.523 1.00 43.41 N ATOM 0 H HIS A 75 -12.106 -25.307 5.416 1.00 24.22 H new ATOM 0 HA HIS A 75 -10.203 -25.935 7.363 1.00 63.22 H new ATOM 0 HB2 HIS A 75 -12.194 -23.624 7.310 1.00 2.30 H new ATOM 0 HB3 HIS A 75 -10.669 -23.652 8.174 1.00 2.30 H new ATOM 0 HD2 HIS A 75 -8.336 -23.678 6.392 1.00 11.42 H new ATOM 0 HE1 HIS A 75 -10.523 -22.102 3.121 1.00 5.13 H new ATOM 0 HE2 HIS A 75 -8.199 -22.594 4.026 1.00 43.41 H new ATOM 1242 N HIS A 76 -11.228 -26.449 9.577 1.00 73.32 N ATOM 1243 CA HIS A 76 -11.820 -27.015 10.797 1.00 42.55 C ATOM 1244 C HIS A 76 -11.990 -25.946 11.894 1.00 72.41 C ATOM 1245 O HIS A 76 -11.180 -25.024 12.009 1.00 12.14 O ATOM 1246 CB HIS A 76 -10.944 -28.162 11.319 1.00 13.11 C ATOM 1247 CG HIS A 76 -10.736 -29.271 10.323 1.00 10.35 C ATOM 1248 ND1 HIS A 76 -11.548 -30.382 10.244 1.00 54.31 N ATOM 1249 CD2 HIS A 76 -9.791 -29.437 9.363 1.00 54.12 C ATOM 1250 CE1 HIS A 76 -11.115 -31.179 9.288 1.00 25.31 C ATOM 1251 NE2 HIS A 76 -10.053 -30.632 8.737 1.00 34.51 N ATOM 0 H HIS A 76 -10.209 -26.405 9.588 1.00 73.32 H new ATOM 0 HA HIS A 76 -12.810 -27.395 10.543 1.00 42.55 H new ATOM 0 HB2 HIS A 76 -9.973 -27.761 11.610 1.00 13.11 H new ATOM 0 HB3 HIS A 76 -11.401 -28.575 12.218 1.00 13.11 H new ATOM 0 HD2 HIS A 76 -8.984 -28.757 9.134 1.00 54.12 H new ATOM 0 HE1 HIS A 76 -11.558 -32.123 9.005 1.00 25.31 H new ATOM 0 HE2 HIS A 76 -9.512 -31.030 7.970 1.00 34.51 H new ATOM 1260 N HIS A 77 -13.044 -26.078 12.700 1.00 64.25 N ATOM 1261 CA HIS A 77 -13.305 -25.130 13.794 1.00 52.04 C ATOM 1262 C HIS A 77 -12.845 -25.691 15.149 1.00 34.14 C ATOM 1263 O HIS A 77 -13.065 -26.867 15.452 1.00 43.21 O ATOM 1264 CB HIS A 77 -14.801 -24.791 13.863 1.00 41.01 C ATOM 1265 CG HIS A 77 -15.130 -23.739 14.881 1.00 32.01 C ATOM 1266 ND1 HIS A 77 -15.502 -24.029 16.176 1.00 11.10 N ATOM 1267 CD2 HIS A 77 -15.128 -22.387 14.793 1.00 52.52 C ATOM 1268 CE1 HIS A 77 -15.711 -22.909 16.835 1.00 43.43 C ATOM 1269 NE2 HIS A 77 -15.493 -21.898 16.023 1.00 44.42 N ATOM 0 H HIS A 77 -13.731 -26.828 12.620 1.00 64.25 H new ATOM 0 HA HIS A 77 -12.734 -24.225 13.584 1.00 52.04 H new ATOM 0 HB2 HIS A 77 -15.134 -24.453 12.882 1.00 41.01 H new ATOM 0 HB3 HIS A 77 -15.360 -25.697 14.095 1.00 41.01 H new ATOM 0 HD2 HIS A 77 -14.885 -21.803 13.918 1.00 52.52 H new ATOM 0 HE1 HIS A 77 -16.011 -22.833 17.870 1.00 43.43 H new ATOM 0 HE2 HIS A 77 -15.581 -20.912 16.267 1.00 44.42 H new ATOM 1278 N HIS A 78 -12.218 -24.832 15.959 1.00 20.23 N ATOM 1279 CA HIS A 78 -11.765 -25.207 17.308 1.00 40.42 C ATOM 1280 C HIS A 78 -11.175 -23.992 18.064 1.00 24.42 C ATOM 1281 O HIS A 78 -11.921 -23.330 18.820 1.00 37.50 O ATOM 1282 CB HIS A 78 -10.728 -26.339 17.236 1.00 64.03 C ATOM 1283 CG HIS A 78 -10.280 -26.823 18.579 1.00 30.32 C ATOM 1284 ND1 HIS A 78 -9.154 -26.346 19.206 1.00 44.01 N ATOM 1285 CD2 HIS A 78 -10.810 -27.744 19.417 1.00 22.42 C ATOM 1286 CE1 HIS A 78 -9.008 -26.948 20.366 1.00 63.23 C ATOM 1287 NE2 HIS A 78 -9.999 -27.802 20.522 1.00 41.32 N ATOM 1288 OXT HIS A 78 -9.967 -23.707 17.900 1.00 37.50 O ATOM 0 H HIS A 78 -12.010 -23.866 15.704 1.00 20.23 H new ATOM 0 HA HIS A 78 -12.636 -25.560 17.861 1.00 40.42 H new ATOM 0 HB2 HIS A 78 -11.152 -27.175 16.680 1.00 64.03 H new ATOM 0 HB3 HIS A 78 -9.860 -25.991 16.676 1.00 64.03 H new ATOM 0 HD2 HIS A 78 -11.705 -28.325 19.248 1.00 22.42 H new ATOM 0 HE1 HIS A 78 -8.210 -26.772 21.072 1.00 63.23 H new ATOM 0 HE2 HIS A 78 -10.140 -28.407 21.331 1.00 41.32 H new TER 1297 HIS A 78