USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1010 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 103 GLN : amide:sc= -3.63 K(o=-13,f=-11!) USER MOD Set 1.2: A 104 GLN : amide:sc= -9.41! C(o=-13!,f=-13!) USER MOD Set 2.1: A 98 ASN : amide:sc= -0.197 K(o=0.93,f=0.37) USER MOD Set 2.2: A 99 SER OG : rot 72:sc= 1.12 USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0.977 USER MOD Set 3.2: A 64 THR OG1 : rot -68:sc= 1.09 USER MOD Single : A 1 SER N :NH3+ 138:sc= 0.135 (180deg=0.000434) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0741 USER MOD Single : A 8 SER OG : rot 161:sc= -0.885 USER MOD Single : A 13 ASN : amide:sc= -0.0702 X(o=-0.07,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.67 K(o=-0.67,f=-10!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 175:sc= -1.62 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= 0.283 (180deg=0.00996) USER MOD Single : A 35 TYR OH : rot 0:sc= -1.93! USER MOD Single : A 37 SER OG : rot 180:sc= -0.538 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.00388 X(o=-0.0039,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 143:sc= -6.95! (180deg=-11.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.01) USER MOD Single : A 82 TYR OH : rot 36:sc= 0.0364 USER MOD Single : A 84 ASN : amide:sc= -6.31 X(o=-6.3,f=-6.2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.564 K(o=-0.56,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 155:sc= 0.22 (180deg=-0.278) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.004 4.413 -16.683 1.00 0.00 N ATOM 2 CA SER A 1 7.870 4.288 -15.730 1.00 0.00 C ATOM 3 C SER A 1 8.329 4.523 -14.294 1.00 0.00 C ATOM 4 O SER A 1 9.427 5.028 -14.057 1.00 0.00 O ATOM 5 CB SER A 1 7.269 2.889 -15.870 1.00 0.00 C ATOM 6 OG SER A 1 7.095 2.542 -17.233 1.00 0.00 O ATOM 0 H1 SER A 1 8.944 3.658 -17.395 1.00 0.00 H new ATOM 0 H2 SER A 1 8.960 5.338 -17.155 1.00 0.00 H new ATOM 0 H3 SER A 1 9.903 4.331 -16.166 1.00 0.00 H new ATOM 0 HA SER A 1 7.121 5.044 -15.963 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.920 2.160 -15.386 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.309 2.849 -15.356 1.00 0.00 H new ATOM 0 HG SER A 1 6.711 1.643 -17.295 1.00 0.00 H new ATOM 14 N ARG A 2 7.480 4.157 -13.339 1.00 0.00 N ATOM 15 CA ARG A 2 7.797 4.328 -11.927 1.00 0.00 C ATOM 16 C ARG A 2 7.251 3.167 -11.102 1.00 0.00 C ATOM 17 O ARG A 2 6.747 2.187 -11.651 1.00 0.00 O ATOM 18 CB ARG A 2 7.236 5.656 -11.409 1.00 0.00 C ATOM 19 CG ARG A 2 5.716 5.711 -11.369 1.00 0.00 C ATOM 20 CD ARG A 2 5.112 5.557 -12.757 1.00 0.00 C ATOM 21 NE ARG A 2 3.899 6.356 -12.916 1.00 0.00 N ATOM 22 CZ ARG A 2 3.900 7.666 -13.156 1.00 0.00 C ATOM 23 NH1 ARG A 2 5.046 8.327 -13.263 1.00 0.00 N ATOM 24 NH2 ARG A 2 2.752 8.317 -13.290 1.00 0.00 N ATOM 0 H ARG A 2 6.567 3.740 -13.518 1.00 0.00 H new ATOM 0 HA ARG A 2 8.882 4.341 -11.823 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.623 5.835 -10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.602 6.465 -12.041 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.340 4.921 -10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.397 6.659 -10.936 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.844 5.856 -13.507 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.881 4.507 -12.938 1.00 0.00 H new ATOM 0 HE ARG A 2 2.999 5.883 -12.839 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.932 7.832 -13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.041 9.330 -13.447 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.868 7.814 -13.209 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.753 9.320 -13.474 1.00 0.00 H new ATOM 38 N LEU A 3 7.351 3.282 -9.780 1.00 0.00 N ATOM 39 CA LEU A 3 6.865 2.240 -8.880 1.00 0.00 C ATOM 40 C LEU A 3 5.442 1.834 -9.241 1.00 0.00 C ATOM 41 O LEU A 3 4.499 2.596 -9.035 1.00 0.00 O ATOM 42 CB LEU A 3 6.916 2.722 -7.431 1.00 0.00 C ATOM 43 CG LEU A 3 7.049 1.616 -6.385 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.475 1.090 -6.346 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.629 2.127 -5.015 1.00 0.00 C ATOM 0 H LEU A 3 7.764 4.086 -9.308 1.00 0.00 H new ATOM 0 HA LEU A 3 7.513 1.370 -8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.757 3.407 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.011 3.292 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 3 6.388 0.795 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.552 0.303 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.741 0.687 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.156 1.902 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.730 1.327 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.265 2.964 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.591 2.456 -5.052 1.00 0.00 H new ATOM 57 N GLU A 4 5.293 0.634 -9.788 1.00 0.00 N ATOM 58 CA GLU A 4 3.986 0.137 -10.183 1.00 0.00 C ATOM 59 C GLU A 4 3.934 -1.385 -10.110 1.00 0.00 C ATOM 60 O GLU A 4 4.967 -2.051 -10.061 1.00 0.00 O ATOM 61 CB GLU A 4 3.654 0.607 -11.602 1.00 0.00 C ATOM 62 CG GLU A 4 4.417 -0.132 -12.692 1.00 0.00 C ATOM 63 CD GLU A 4 3.993 0.284 -14.086 1.00 0.00 C ATOM 64 OE1 GLU A 4 3.640 1.468 -14.270 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.016 -0.574 -14.995 1.00 0.00 O ATOM 0 H GLU A 4 6.062 -0.011 -9.967 1.00 0.00 H new ATOM 0 HA GLU A 4 3.245 0.536 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.585 0.484 -11.774 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.869 1.673 -11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.485 0.052 -12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.263 -1.205 -12.575 1.00 0.00 H new ATOM 72 N GLY A 5 2.723 -1.923 -10.105 1.00 0.00 N ATOM 73 CA GLY A 5 2.546 -3.359 -10.039 1.00 0.00 C ATOM 74 C GLY A 5 1.257 -3.738 -9.347 1.00 0.00 C ATOM 75 O GLY A 5 0.308 -2.954 -9.322 1.00 0.00 O ATOM 0 H GLY A 5 1.856 -1.387 -10.146 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.551 -3.772 -11.048 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.387 -3.804 -9.508 1.00 0.00 H new ATOM 79 N TRP A 6 1.219 -4.933 -8.776 1.00 0.00 N ATOM 80 CA TRP A 6 0.030 -5.393 -8.076 1.00 0.00 C ATOM 81 C TRP A 6 0.337 -5.680 -6.616 1.00 0.00 C ATOM 82 O TRP A 6 1.228 -6.468 -6.301 1.00 0.00 O ATOM 83 CB TRP A 6 -0.541 -6.643 -8.737 1.00 0.00 C ATOM 84 CG TRP A 6 -0.736 -6.478 -10.205 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.232 -6.528 -11.155 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.966 -6.227 -10.892 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.312 -6.316 -12.394 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.663 -6.134 -12.261 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.294 -6.075 -10.485 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.637 -5.894 -13.227 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.261 -5.836 -11.443 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.929 -5.749 -12.800 1.00 0.00 C ATOM 0 H TRP A 6 1.993 -5.598 -8.783 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.712 -4.597 -8.129 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.129 -7.483 -8.556 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.496 -6.891 -8.273 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.279 -6.709 -10.962 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.205 -6.297 -13.273 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.560 -6.143 -9.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.382 -5.825 -14.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.290 -5.714 -11.139 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.708 -5.564 -13.525 1.00 0.00 H new ATOM 103 N LEU A 7 -0.420 -5.053 -5.729 1.00 0.00 N ATOM 104 CA LEU A 7 -0.245 -5.258 -4.303 1.00 0.00 C ATOM 105 C LEU A 7 -1.535 -5.797 -3.717 1.00 0.00 C ATOM 106 O LEU A 7 -2.619 -5.504 -4.214 1.00 0.00 O ATOM 107 CB LEU A 7 0.164 -3.966 -3.607 1.00 0.00 C ATOM 108 CG LEU A 7 1.541 -3.429 -4.004 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.640 -1.948 -3.693 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.641 -4.199 -3.289 1.00 0.00 C ATOM 0 H LEU A 7 -1.162 -4.397 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 7 0.556 -5.980 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.584 -3.202 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.151 -4.131 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 7 1.669 -3.566 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.625 -1.581 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.874 -1.407 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.492 -1.790 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.613 -3.803 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.518 -4.093 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.582 -5.253 -3.559 1.00 0.00 H new ATOM 122 N SER A 8 -1.413 -6.608 -2.684 1.00 0.00 N ATOM 123 CA SER A 8 -2.580 -7.229 -2.067 1.00 0.00 C ATOM 124 C SER A 8 -3.154 -6.385 -0.938 1.00 0.00 C ATOM 125 O SER A 8 -2.423 -5.740 -0.190 1.00 0.00 O ATOM 126 CB SER A 8 -2.224 -8.622 -1.546 1.00 0.00 C ATOM 127 OG SER A 8 -2.627 -9.628 -2.462 1.00 0.00 O ATOM 0 H SER A 8 -0.523 -6.855 -2.252 1.00 0.00 H new ATOM 0 HA SER A 8 -3.346 -7.310 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.149 -8.687 -1.379 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.707 -8.788 -0.583 1.00 0.00 H new ATOM 0 HG SER A 8 -2.138 -10.456 -2.275 1.00 0.00 H new ATOM 133 N LEU A 9 -4.478 -6.408 -0.825 1.00 0.00 N ATOM 134 CA LEU A 9 -5.183 -5.660 0.206 1.00 0.00 C ATOM 135 C LEU A 9 -6.249 -6.533 0.865 1.00 0.00 C ATOM 136 O LEU A 9 -6.746 -7.480 0.256 1.00 0.00 O ATOM 137 CB LEU A 9 -5.833 -4.414 -0.399 1.00 0.00 C ATOM 138 CG LEU A 9 -4.873 -3.465 -1.115 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.783 -3.811 -2.593 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.315 -2.020 -0.931 1.00 0.00 C ATOM 0 H LEU A 9 -5.088 -6.943 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.462 -5.354 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.601 -4.730 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.338 -3.864 0.396 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.883 -3.581 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.095 -3.124 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.420 -4.832 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.770 -3.724 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.620 -1.358 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.315 -1.890 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.327 -1.776 0.131 1.00 0.00 H new ATOM 152 N PRO A 10 -6.620 -6.224 2.119 1.00 0.00 N ATOM 153 CA PRO A 10 -7.637 -6.988 2.848 1.00 0.00 C ATOM 154 C PRO A 10 -8.969 -7.018 2.106 1.00 0.00 C ATOM 155 O PRO A 10 -9.712 -6.037 2.102 1.00 0.00 O ATOM 156 CB PRO A 10 -7.779 -6.235 4.180 1.00 0.00 C ATOM 157 CG PRO A 10 -7.161 -4.898 3.946 1.00 0.00 C ATOM 158 CD PRO A 10 -6.089 -5.111 2.918 1.00 0.00 C ATOM 0 HA PRO A 10 -7.350 -8.032 2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.826 -6.139 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.274 -6.766 4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.903 -4.182 3.593 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.742 -4.495 4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.927 -4.220 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.133 -5.363 3.377 1.00 0.00 H new ATOM 166 N VAL A 11 -9.261 -8.150 1.473 1.00 0.00 N ATOM 167 CA VAL A 11 -10.501 -8.306 0.721 1.00 0.00 C ATOM 168 C VAL A 11 -11.483 -9.217 1.448 1.00 0.00 C ATOM 169 O VAL A 11 -11.292 -10.431 1.512 1.00 0.00 O ATOM 170 CB VAL A 11 -10.233 -8.873 -0.686 1.00 0.00 C ATOM 171 CG1 VAL A 11 -9.609 -10.259 -0.604 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.515 -8.903 -1.503 1.00 0.00 C ATOM 0 H VAL A 11 -8.657 -8.972 1.466 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.940 -7.313 0.629 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.523 -8.216 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.430 -10.637 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.664 -10.201 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.286 -10.932 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.306 -9.306 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.251 -9.533 -1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.909 -7.891 -1.599 1.00 0.00 H new ATOM 182 N ARG A 12 -12.539 -8.621 1.989 1.00 0.00 N ATOM 183 CA ARG A 12 -13.557 -9.376 2.709 1.00 0.00 C ATOM 184 C ARG A 12 -14.276 -10.344 1.775 1.00 0.00 C ATOM 185 O ARG A 12 -15.178 -9.953 1.032 1.00 0.00 O ATOM 186 CB ARG A 12 -14.565 -8.424 3.355 1.00 0.00 C ATOM 187 CG ARG A 12 -13.918 -7.334 4.193 1.00 0.00 C ATOM 188 CD ARG A 12 -14.943 -6.327 4.687 1.00 0.00 C ATOM 189 NE ARG A 12 -14.587 -5.778 5.994 1.00 0.00 N ATOM 190 CZ ARG A 12 -15.448 -5.157 6.796 1.00 0.00 C ATOM 191 NH1 ARG A 12 -16.714 -5.002 6.430 1.00 0.00 N ATOM 192 NH2 ARG A 12 -15.042 -4.688 7.968 1.00 0.00 N ATOM 0 H ARG A 12 -12.713 -7.617 1.943 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.063 -9.954 3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.168 -7.961 2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.245 -8.999 3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.408 -7.783 5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.159 -6.822 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.031 -5.515 3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.920 -6.806 4.749 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.622 -5.877 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.032 -5.360 5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.369 -4.525 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.070 -4.803 8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.702 -4.212 8.583 1.00 0.00 H new ATOM 206 N ASN A 13 -13.869 -11.608 1.814 1.00 0.00 N ATOM 207 CA ASN A 13 -14.471 -12.634 0.971 1.00 0.00 C ATOM 208 C ASN A 13 -15.958 -12.787 1.276 1.00 0.00 C ATOM 209 O ASN A 13 -16.799 -12.669 0.385 1.00 0.00 O ATOM 210 CB ASN A 13 -13.757 -13.972 1.171 1.00 0.00 C ATOM 211 CG ASN A 13 -12.393 -14.003 0.509 1.00 0.00 C ATOM 212 OD1 ASN A 13 -12.235 -14.537 -0.589 1.00 0.00 O ATOM 213 ND2 ASN A 13 -11.398 -13.429 1.175 1.00 0.00 N ATOM 0 H ASN A 13 -13.123 -11.947 2.422 1.00 0.00 H new ATOM 0 HA ASN A 13 -14.362 -12.324 -0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.645 -14.165 2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.373 -14.774 0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.458 -13.419 0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.574 -12.998 2.083 1.00 0.00 H new ATOM 220 N ASN A 14 -16.275 -13.052 2.538 1.00 0.00 N ATOM 221 CA ASN A 14 -17.661 -13.223 2.957 1.00 0.00 C ATOM 222 C ASN A 14 -18.235 -11.917 3.496 1.00 0.00 C ATOM 223 O ASN A 14 -19.305 -11.476 3.074 1.00 0.00 O ATOM 224 CB ASN A 14 -17.766 -14.318 4.021 1.00 0.00 C ATOM 225 CG ASN A 14 -16.749 -14.148 5.133 1.00 0.00 C ATOM 226 OD1 ASN A 14 -15.542 -14.141 4.889 1.00 0.00 O ATOM 227 ND2 ASN A 14 -17.231 -14.011 6.362 1.00 0.00 N ATOM 0 H ASN A 14 -15.592 -13.153 3.288 1.00 0.00 H new ATOM 0 HA ASN A 14 -18.241 -13.519 2.083 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.769 -14.311 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -17.626 -15.291 3.551 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.594 -13.894 7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -18.239 -14.023 6.519 1.00 0.00 H new ATOM 234 N THR A 15 -17.517 -11.298 4.430 1.00 0.00 N ATOM 235 CA THR A 15 -17.955 -10.041 5.025 1.00 0.00 C ATOM 236 C THR A 15 -16.955 -9.556 6.070 1.00 0.00 C ATOM 237 O THR A 15 -16.687 -8.359 6.180 1.00 0.00 O ATOM 238 CB THR A 15 -19.336 -10.205 5.662 1.00 0.00 C ATOM 239 OG1 THR A 15 -19.712 -9.028 6.354 1.00 0.00 O ATOM 240 CG2 THR A 15 -19.410 -11.356 6.641 1.00 0.00 C ATOM 0 H THR A 15 -16.629 -11.648 4.790 1.00 0.00 H new ATOM 0 HA THR A 15 -18.016 -9.296 4.232 1.00 0.00 H new ATOM 0 HB THR A 15 -20.014 -10.409 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.598 -9.152 6.753 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.416 -11.416 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.173 -12.287 6.126 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.694 -11.195 7.447 1.00 0.00 H new ATOM 248 N LYS A 16 -16.406 -10.492 6.836 1.00 0.00 N ATOM 249 CA LYS A 16 -15.437 -10.161 7.874 1.00 0.00 C ATOM 250 C LYS A 16 -14.051 -10.688 7.514 1.00 0.00 C ATOM 251 O LYS A 16 -13.048 -9.996 7.687 1.00 0.00 O ATOM 252 CB LYS A 16 -15.881 -10.739 9.219 1.00 0.00 C ATOM 253 CG LYS A 16 -17.251 -10.252 9.667 1.00 0.00 C ATOM 254 CD LYS A 16 -17.146 -9.266 10.820 1.00 0.00 C ATOM 255 CE LYS A 16 -16.644 -7.910 10.349 1.00 0.00 C ATOM 256 NZ LYS A 16 -16.517 -6.943 11.475 1.00 0.00 N ATOM 0 H LYS A 16 -16.616 -11.487 6.758 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.384 -9.075 7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.895 -11.827 9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.145 -10.477 9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -17.762 -9.779 8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -17.859 -11.104 9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -18.122 -9.150 11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.471 -9.662 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.676 -8.030 9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -17.329 -7.509 9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.172 -6.031 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -17.446 -6.808 11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.844 -7.313 12.176 1.00 0.00 H new ATOM 270 N LYS A 17 -14.003 -11.918 7.012 1.00 0.00 N ATOM 271 CA LYS A 17 -12.738 -12.536 6.627 1.00 0.00 C ATOM 272 C LYS A 17 -12.150 -11.852 5.397 1.00 0.00 C ATOM 273 O LYS A 17 -12.684 -11.967 4.294 1.00 0.00 O ATOM 274 CB LYS A 17 -12.941 -14.029 6.353 1.00 0.00 C ATOM 275 CG LYS A 17 -11.946 -14.920 7.076 1.00 0.00 C ATOM 276 CD LYS A 17 -10.707 -15.172 6.232 1.00 0.00 C ATOM 277 CE LYS A 17 -11.047 -15.917 4.951 1.00 0.00 C ATOM 278 NZ LYS A 17 -9.849 -16.567 4.353 1.00 0.00 N ATOM 0 H LYS A 17 -14.823 -12.506 6.862 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.036 -12.418 7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.951 -14.310 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.863 -14.207 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.657 -14.454 8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.419 -15.871 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.233 -14.221 5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.984 -15.749 6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.804 -16.673 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.481 -15.223 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.123 -17.064 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.137 -15.843 4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.450 -17.248 5.030 1.00 0.00 H new ATOM 292 N PHE A 18 -11.044 -11.142 5.597 1.00 0.00 N ATOM 293 CA PHE A 18 -10.377 -10.439 4.504 1.00 0.00 C ATOM 294 C PHE A 18 -9.074 -11.134 4.126 1.00 0.00 C ATOM 295 O PHE A 18 -8.132 -11.182 4.915 1.00 0.00 O ATOM 296 CB PHE A 18 -10.099 -8.977 4.885 1.00 0.00 C ATOM 297 CG PHE A 18 -10.054 -8.726 6.368 1.00 0.00 C ATOM 298 CD1 PHE A 18 -9.009 -9.212 7.136 1.00 0.00 C ATOM 299 CD2 PHE A 18 -11.061 -8.005 6.991 1.00 0.00 C ATOM 300 CE1 PHE A 18 -8.966 -8.982 8.499 1.00 0.00 C ATOM 301 CE2 PHE A 18 -11.025 -7.772 8.353 1.00 0.00 C ATOM 302 CZ PHE A 18 -9.976 -8.261 9.108 1.00 0.00 C ATOM 0 H PHE A 18 -10.590 -11.038 6.505 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.044 -10.456 3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.148 -8.673 4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.870 -8.345 4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.218 -9.777 6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.883 -7.621 6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.145 -9.365 9.087 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.816 -7.209 8.826 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.945 -8.080 10.172 1.00 0.00 H new ATOM 312 N GLY A 19 -9.028 -11.669 2.910 1.00 0.00 N ATOM 313 CA GLY A 19 -7.837 -12.352 2.443 1.00 0.00 C ATOM 314 C GLY A 19 -6.860 -11.407 1.774 1.00 0.00 C ATOM 315 O GLY A 19 -6.361 -10.474 2.402 1.00 0.00 O ATOM 0 H GLY A 19 -9.796 -11.641 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.348 -12.842 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.121 -13.135 1.740 1.00 0.00 H new ATOM 319 N TRP A 20 -6.591 -11.642 0.494 1.00 0.00 N ATOM 320 CA TRP A 20 -5.672 -10.794 -0.256 1.00 0.00 C ATOM 321 C TRP A 20 -6.070 -10.707 -1.723 1.00 0.00 C ATOM 322 O TRP A 20 -6.380 -11.714 -2.360 1.00 0.00 O ATOM 323 CB TRP A 20 -4.239 -11.317 -0.148 1.00 0.00 C ATOM 324 CG TRP A 20 -3.716 -11.352 1.256 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.332 -12.455 1.962 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.517 -10.230 2.123 1.00 0.00 C ATOM 327 NE1 TRP A 20 -2.903 -12.087 3.216 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.010 -10.727 3.339 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.718 -8.853 1.991 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.700 -9.895 4.413 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.412 -8.029 3.058 1.00 0.00 C ATOM 332 CH2 TRP A 20 -2.907 -8.553 4.254 1.00 0.00 C ATOM 0 H TRP A 20 -6.994 -12.409 -0.044 1.00 0.00 H new ATOM 0 HA TRP A 20 -5.724 -9.796 0.180 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.196 -12.322 -0.568 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.586 -10.690 -0.754 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.361 -13.469 1.590 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.561 -12.723 3.937 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.106 -8.440 1.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.310 -10.296 5.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.565 -6.964 2.967 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.676 -7.883 5.069 1.00 0.00 H new ATOM 343 N VAL A 21 -6.039 -9.493 -2.252 1.00 0.00 N ATOM 344 CA VAL A 21 -6.372 -9.247 -3.648 1.00 0.00 C ATOM 345 C VAL A 21 -5.408 -8.224 -4.231 1.00 0.00 C ATOM 346 O VAL A 21 -5.440 -7.051 -3.855 1.00 0.00 O ATOM 347 CB VAL A 21 -7.819 -8.738 -3.805 1.00 0.00 C ATOM 348 CG1 VAL A 21 -8.020 -7.438 -3.040 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.168 -8.558 -5.276 1.00 0.00 C ATOM 0 H VAL A 21 -5.784 -8.655 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.286 -10.192 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.491 -9.486 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.048 -7.097 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.819 -7.604 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.337 -6.680 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.193 -8.198 -5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.489 -7.833 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.072 -9.513 -5.792 1.00 0.00 H new ATOM 359 N LYS A 22 -4.529 -8.666 -5.126 1.00 0.00 N ATOM 360 CA LYS A 22 -3.552 -7.768 -5.709 1.00 0.00 C ATOM 361 C LYS A 22 -4.189 -6.797 -6.700 1.00 0.00 C ATOM 362 O LYS A 22 -4.606 -7.184 -7.791 1.00 0.00 O ATOM 363 CB LYS A 22 -2.433 -8.557 -6.386 1.00 0.00 C ATOM 364 CG LYS A 22 -2.856 -9.236 -7.672 1.00 0.00 C ATOM 365 CD LYS A 22 -1.797 -10.200 -8.163 1.00 0.00 C ATOM 366 CE LYS A 22 -1.360 -9.847 -9.569 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.643 -10.970 -10.235 1.00 0.00 N ATOM 0 H LYS A 22 -4.477 -9.630 -5.457 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.129 -7.179 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.603 -7.883 -6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.062 -9.312 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.791 -9.772 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.047 -8.483 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.938 -10.175 -7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.188 -11.217 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.233 -9.574 -10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.711 -8.972 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.363 -10.683 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.205 -11.215 -9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.270 -11.798 -10.291 1.00 0.00 H new ATOM 381 N LYS A 23 -4.233 -5.529 -6.316 1.00 0.00 N ATOM 382 CA LYS A 23 -4.779 -4.489 -7.171 1.00 0.00 C ATOM 383 C LYS A 23 -3.632 -3.737 -7.827 1.00 0.00 C ATOM 384 O LYS A 23 -2.541 -3.649 -7.262 1.00 0.00 O ATOM 385 CB LYS A 23 -5.650 -3.523 -6.366 1.00 0.00 C ATOM 386 CG LYS A 23 -6.880 -4.177 -5.758 1.00 0.00 C ATOM 387 CD LYS A 23 -8.145 -3.813 -6.522 1.00 0.00 C ATOM 388 CE LYS A 23 -9.226 -3.282 -5.594 1.00 0.00 C ATOM 389 NZ LYS A 23 -10.472 -2.931 -6.331 1.00 0.00 N ATOM 0 H LYS A 23 -3.895 -5.196 -5.413 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.406 -4.948 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.050 -3.084 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.966 -2.705 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.754 -5.260 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.981 -3.867 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.912 -3.062 -7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.517 -4.691 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.453 -4.031 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.854 -2.401 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.183 -2.573 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.262 -2.197 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.842 -3.777 -6.809 1.00 0.00 H new ATOM 403 N TYR A 24 -3.863 -3.211 -9.018 1.00 0.00 N ATOM 404 CA TYR A 24 -2.814 -2.492 -9.723 1.00 0.00 C ATOM 405 C TYR A 24 -2.521 -1.149 -9.070 1.00 0.00 C ATOM 406 O TYR A 24 -3.273 -0.188 -9.227 1.00 0.00 O ATOM 407 CB TYR A 24 -3.173 -2.291 -11.193 1.00 0.00 C ATOM 408 CG TYR A 24 -1.963 -2.325 -12.100 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.774 -1.712 -11.721 1.00 0.00 C ATOM 410 CD2 TYR A 24 -2.004 -2.974 -13.327 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.338 -1.744 -12.537 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.894 -3.009 -14.150 1.00 0.00 C ATOM 413 CZ TYR A 24 0.273 -2.393 -13.751 1.00 0.00 C ATOM 414 OH TYR A 24 1.380 -2.428 -14.569 1.00 0.00 O ATOM 0 H TYR A 24 -4.754 -3.266 -9.512 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.914 -3.104 -9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.874 -3.067 -11.501 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.683 -1.335 -11.311 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.720 -1.202 -10.771 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.916 -3.458 -13.643 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.254 -1.263 -12.226 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.941 -3.517 -15.102 1.00 0.00 H new ATOM 0 HH TYR A 24 1.167 -2.925 -15.386 1.00 0.00 H new ATOM 424 N VAL A 25 -1.406 -1.091 -8.351 1.00 0.00 N ATOM 425 CA VAL A 25 -0.986 0.133 -7.685 1.00 0.00 C ATOM 426 C VAL A 25 0.179 0.764 -8.433 1.00 0.00 C ATOM 427 O VAL A 25 1.095 0.068 -8.871 1.00 0.00 O ATOM 428 CB VAL A 25 -0.556 -0.127 -6.228 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.392 1.187 -5.478 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.556 -1.031 -5.525 1.00 0.00 C ATOM 0 H VAL A 25 -0.776 -1.881 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.843 0.807 -7.681 1.00 0.00 H new ATOM 0 HB VAL A 25 0.408 -0.636 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.088 0.984 -4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.369 1.793 -5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.340 1.726 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.233 -1.202 -4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.537 -0.556 -5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.616 -1.985 -6.050 1.00 0.00 H new ATOM 440 N ILE A 26 0.143 2.080 -8.579 1.00 0.00 N ATOM 441 CA ILE A 26 1.204 2.789 -9.279 1.00 0.00 C ATOM 442 C ILE A 26 1.481 4.135 -8.622 1.00 0.00 C ATOM 443 O ILE A 26 0.627 5.021 -8.613 1.00 0.00 O ATOM 444 CB ILE A 26 0.852 3.003 -10.766 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.125 1.779 -11.322 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.109 3.286 -11.578 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.294 1.929 -12.770 1.00 0.00 C ATOM 0 H ILE A 26 -0.605 2.676 -8.224 1.00 0.00 H new ATOM 0 HA ILE A 26 2.100 2.171 -9.220 1.00 0.00 H new ATOM 0 HB ILE A 26 0.190 3.866 -10.842 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.774 0.908 -11.228 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.759 1.585 -10.715 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.841 3.434 -12.624 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.594 4.185 -11.197 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.793 2.442 -11.495 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.804 1.023 -13.097 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.968 2.780 -12.867 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.588 2.092 -13.389 1.00 0.00 H new ATOM 459 N VAL A 27 2.680 4.277 -8.067 1.00 0.00 N ATOM 460 CA VAL A 27 3.071 5.511 -7.402 1.00 0.00 C ATOM 461 C VAL A 27 3.644 6.513 -8.397 1.00 0.00 C ATOM 462 O VAL A 27 4.781 6.373 -8.847 1.00 0.00 O ATOM 463 CB VAL A 27 4.117 5.245 -6.303 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.364 6.503 -5.484 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.676 4.097 -5.411 1.00 0.00 C ATOM 0 H VAL A 27 3.397 3.551 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 27 2.171 5.927 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 27 5.054 4.962 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.106 6.295 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.731 7.296 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.433 6.821 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.428 3.925 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.725 4.347 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.558 3.195 -6.011 1.00 0.00 H new ATOM 475 N SER A 28 2.852 7.524 -8.732 1.00 0.00 N ATOM 476 CA SER A 28 3.283 8.550 -9.672 1.00 0.00 C ATOM 477 C SER A 28 4.137 9.600 -8.970 1.00 0.00 C ATOM 478 O SER A 28 4.171 9.668 -7.741 1.00 0.00 O ATOM 479 CB SER A 28 2.072 9.215 -10.330 1.00 0.00 C ATOM 480 OG SER A 28 1.124 9.623 -9.361 1.00 0.00 O ATOM 0 H SER A 28 1.909 7.655 -8.367 1.00 0.00 H new ATOM 0 HA SER A 28 3.885 8.071 -10.444 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.398 10.078 -10.910 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.606 8.519 -11.028 1.00 0.00 H new ATOM 0 HG SER A 28 0.400 10.116 -9.799 1.00 0.00 H new ATOM 486 N SER A 29 4.827 10.417 -9.759 1.00 0.00 N ATOM 487 CA SER A 29 5.686 11.464 -9.214 1.00 0.00 C ATOM 488 C SER A 29 4.913 12.375 -8.265 1.00 0.00 C ATOM 489 O SER A 29 4.090 13.184 -8.696 1.00 0.00 O ATOM 490 CB SER A 29 6.300 12.289 -10.346 1.00 0.00 C ATOM 491 OG SER A 29 7.556 11.764 -10.739 1.00 0.00 O ATOM 0 H SER A 29 4.809 10.375 -10.778 1.00 0.00 H new ATOM 0 HA SER A 29 6.484 10.982 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.623 12.299 -11.201 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.420 13.323 -10.022 1.00 0.00 H new ATOM 0 HG SER A 29 7.926 12.309 -11.465 1.00 0.00 H new ATOM 497 N LYS A 30 5.190 12.243 -6.972 1.00 0.00 N ATOM 498 CA LYS A 30 4.529 13.057 -5.955 1.00 0.00 C ATOM 499 C LYS A 30 3.028 12.787 -5.917 1.00 0.00 C ATOM 500 O LYS A 30 2.236 13.688 -5.643 1.00 0.00 O ATOM 501 CB LYS A 30 4.785 14.543 -6.216 1.00 0.00 C ATOM 502 CG LYS A 30 6.259 14.892 -6.358 1.00 0.00 C ATOM 503 CD LYS A 30 6.610 16.156 -5.588 1.00 0.00 C ATOM 504 CE LYS A 30 7.893 16.786 -6.106 1.00 0.00 C ATOM 505 NZ LYS A 30 8.782 17.225 -4.995 1.00 0.00 N ATOM 0 H LYS A 30 5.869 11.578 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 30 4.948 12.785 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.261 14.839 -7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.360 15.125 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.867 14.063 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.502 15.028 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.793 16.872 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.721 15.920 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.422 16.069 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.649 17.641 -6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.646 17.649 -5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.286 17.928 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.036 16.405 -4.408 1.00 0.00 H new ATOM 519 N LYS A 31 2.642 11.545 -6.189 1.00 0.00 N ATOM 520 CA LYS A 31 1.233 11.168 -6.179 1.00 0.00 C ATOM 521 C LYS A 31 1.069 9.655 -6.290 1.00 0.00 C ATOM 522 O LYS A 31 1.946 8.960 -6.801 1.00 0.00 O ATOM 523 CB LYS A 31 0.490 11.864 -7.321 1.00 0.00 C ATOM 524 CG LYS A 31 -1.007 11.605 -7.322 1.00 0.00 C ATOM 525 CD LYS A 31 -1.776 12.785 -7.892 1.00 0.00 C ATOM 526 CE LYS A 31 -1.706 13.993 -6.971 1.00 0.00 C ATOM 527 NZ LYS A 31 -2.925 14.119 -6.125 1.00 0.00 N ATOM 0 H LYS A 31 3.282 10.785 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 31 0.804 11.488 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.664 12.938 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.908 11.531 -8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.222 10.712 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.344 11.407 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.370 13.047 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.818 12.502 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.827 13.911 -6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.583 14.897 -7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.099 15.122 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.743 13.726 -6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.786 13.597 -5.236 1.00 0.00 H new ATOM 541 N ILE A 32 -0.063 9.152 -5.804 1.00 0.00 N ATOM 542 CA ILE A 32 -0.350 7.721 -5.844 1.00 0.00 C ATOM 543 C ILE A 32 -1.716 7.458 -6.468 1.00 0.00 C ATOM 544 O ILE A 32 -2.676 8.185 -6.210 1.00 0.00 O ATOM 545 CB ILE A 32 -0.317 7.098 -4.435 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.903 7.599 -3.658 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.306 5.581 -4.526 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.985 7.058 -2.247 1.00 0.00 C ATOM 0 H ILE A 32 -0.798 9.716 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 32 0.426 7.259 -6.454 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.216 7.404 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.808 7.320 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.877 8.688 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.283 5.156 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.203 5.241 -5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.576 5.256 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.874 7.455 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.098 7.359 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.043 5.970 -2.277 1.00 0.00 H new ATOM 560 N LEU A 33 -1.798 6.416 -7.289 1.00 0.00 N ATOM 561 CA LEU A 33 -3.050 6.061 -7.947 1.00 0.00 C ATOM 562 C LEU A 33 -3.344 4.572 -7.801 1.00 0.00 C ATOM 563 O LEU A 33 -2.484 3.731 -8.062 1.00 0.00 O ATOM 564 CB LEU A 33 -2.998 6.437 -9.431 1.00 0.00 C ATOM 565 CG LEU A 33 -2.235 7.725 -9.751 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.887 7.407 -10.380 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.056 8.619 -10.670 1.00 0.00 C ATOM 0 H LEU A 33 -1.014 5.804 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.852 6.620 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.539 5.616 -9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.019 6.537 -9.800 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.060 8.260 -8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.360 8.335 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.295 6.809 -9.688 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.039 6.849 -11.304 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.497 9.530 -10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.264 8.091 -11.601 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.996 8.877 -10.182 1.00 0.00 H new ATOM 579 N PHE A 34 -4.566 4.255 -7.386 1.00 0.00 N ATOM 580 CA PHE A 34 -4.978 2.869 -7.210 1.00 0.00 C ATOM 581 C PHE A 34 -5.982 2.469 -8.284 1.00 0.00 C ATOM 582 O PHE A 34 -6.966 3.170 -8.519 1.00 0.00 O ATOM 583 CB PHE A 34 -5.587 2.666 -5.822 1.00 0.00 C ATOM 584 CG PHE A 34 -4.947 1.557 -5.038 1.00 0.00 C ATOM 585 CD1 PHE A 34 -3.756 1.768 -4.361 1.00 0.00 C ATOM 586 CD2 PHE A 34 -5.536 0.305 -4.975 1.00 0.00 C ATOM 587 CE1 PHE A 34 -3.164 0.751 -3.637 1.00 0.00 C ATOM 588 CE2 PHE A 34 -4.948 -0.717 -4.252 1.00 0.00 C ATOM 589 CZ PHE A 34 -3.761 -0.493 -3.582 1.00 0.00 C ATOM 0 H PHE A 34 -5.288 4.941 -7.165 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.096 2.235 -7.303 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.501 3.595 -5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.651 2.456 -5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.285 2.739 -4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.465 0.125 -5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.236 0.929 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.416 -1.689 -4.211 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.301 -1.289 -3.016 1.00 0.00 H new ATOM 599 N TYR A 35 -5.725 1.340 -8.931 1.00 0.00 N ATOM 600 CA TYR A 35 -6.605 0.845 -9.983 1.00 0.00 C ATOM 601 C TYR A 35 -6.972 -0.614 -9.746 1.00 0.00 C ATOM 602 O TYR A 35 -6.435 -1.264 -8.849 1.00 0.00 O ATOM 603 CB TYR A 35 -5.935 0.994 -11.351 1.00 0.00 C ATOM 604 CG TYR A 35 -5.360 2.371 -11.599 1.00 0.00 C ATOM 605 CD1 TYR A 35 -6.141 3.383 -12.142 1.00 0.00 C ATOM 606 CD2 TYR A 35 -4.036 2.658 -11.290 1.00 0.00 C ATOM 607 CE1 TYR A 35 -5.619 4.641 -12.372 1.00 0.00 C ATOM 608 CE2 TYR A 35 -3.508 3.915 -11.516 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.303 4.902 -12.057 1.00 0.00 C ATOM 610 OH TYR A 35 -3.779 6.155 -12.284 1.00 0.00 O ATOM 0 H TYR A 35 -4.914 0.749 -8.746 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.518 1.440 -9.964 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.138 0.256 -11.438 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.664 0.769 -12.129 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.173 3.183 -12.388 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.410 1.887 -10.867 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.239 5.416 -12.797 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.477 4.123 -11.270 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.470 6.734 -12.669 1.00 0.00 H new ATOM 620 N ASP A 36 -7.890 -1.125 -10.559 1.00 0.00 N ATOM 621 CA ASP A 36 -8.332 -2.510 -10.444 1.00 0.00 C ATOM 622 C ASP A 36 -7.734 -3.364 -11.557 1.00 0.00 C ATOM 623 O ASP A 36 -7.552 -4.571 -11.397 1.00 0.00 O ATOM 624 CB ASP A 36 -9.859 -2.587 -10.490 1.00 0.00 C ATOM 625 CG ASP A 36 -10.373 -3.998 -10.281 1.00 0.00 C ATOM 626 OD1 ASP A 36 -9.873 -4.682 -9.361 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.274 -4.419 -11.036 1.00 0.00 O ATOM 0 H ASP A 36 -8.343 -0.600 -11.306 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.986 -2.898 -9.486 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.276 -1.934 -9.724 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.210 -2.214 -11.452 1.00 0.00 H new ATOM 632 N SER A 37 -7.428 -2.729 -12.685 1.00 0.00 N ATOM 633 CA SER A 37 -6.851 -3.430 -13.826 1.00 0.00 C ATOM 634 C SER A 37 -6.172 -2.449 -14.776 1.00 0.00 C ATOM 635 O SER A 37 -6.280 -1.234 -14.612 1.00 0.00 O ATOM 636 CB SER A 37 -7.932 -4.215 -14.569 1.00 0.00 C ATOM 637 OG SER A 37 -9.078 -4.402 -13.757 1.00 0.00 O ATOM 0 H SER A 37 -7.570 -1.730 -12.833 1.00 0.00 H new ATOM 0 HA SER A 37 -6.100 -4.127 -13.453 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.211 -3.684 -15.479 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.537 -5.184 -14.874 1.00 0.00 H new ATOM 0 HG SER A 37 -9.754 -4.905 -14.257 1.00 0.00 H new ATOM 643 N GLU A 38 -5.474 -2.984 -15.772 1.00 0.00 N ATOM 644 CA GLU A 38 -4.780 -2.154 -16.750 1.00 0.00 C ATOM 645 C GLU A 38 -5.773 -1.455 -17.673 1.00 0.00 C ATOM 646 O GLU A 38 -5.530 -0.338 -18.130 1.00 0.00 O ATOM 647 CB GLU A 38 -3.809 -3.004 -17.574 1.00 0.00 C ATOM 648 CG GLU A 38 -2.928 -2.188 -18.506 1.00 0.00 C ATOM 649 CD GLU A 38 -2.808 -2.806 -19.885 1.00 0.00 C ATOM 650 OE1 GLU A 38 -3.769 -2.689 -20.674 1.00 0.00 O ATOM 651 OE2 GLU A 38 -1.752 -3.408 -20.176 1.00 0.00 O ATOM 0 H GLU A 38 -5.374 -3.988 -15.923 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.217 -1.393 -16.210 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.175 -3.576 -16.897 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.378 -3.724 -18.163 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.336 -1.182 -18.597 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.935 -2.090 -18.068 1.00 0.00 H new ATOM 658 N GLN A 39 -6.892 -2.121 -17.942 1.00 0.00 N ATOM 659 CA GLN A 39 -7.923 -1.563 -18.810 1.00 0.00 C ATOM 660 C GLN A 39 -8.541 -0.315 -18.189 1.00 0.00 C ATOM 661 O GLN A 39 -8.902 0.628 -18.894 1.00 0.00 O ATOM 662 CB GLN A 39 -9.010 -2.604 -19.078 1.00 0.00 C ATOM 663 CG GLN A 39 -8.549 -3.750 -19.966 1.00 0.00 C ATOM 664 CD GLN A 39 -9.053 -5.098 -19.489 1.00 0.00 C ATOM 665 OE1 GLN A 39 -10.247 -5.390 -19.567 1.00 0.00 O ATOM 666 NE2 GLN A 39 -8.144 -5.926 -18.989 1.00 0.00 N ATOM 0 H GLN A 39 -7.108 -3.047 -17.572 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.455 -1.283 -19.754 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.356 -3.009 -18.127 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.864 -2.114 -19.546 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.895 -3.577 -20.985 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.460 -3.764 -19.998 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.165 -5.642 -18.944 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.424 -6.846 -18.650 1.00 0.00 H new ATOM 675 N ASP A 40 -8.658 -0.317 -16.866 1.00 0.00 N ATOM 676 CA ASP A 40 -9.232 0.815 -16.148 1.00 0.00 C ATOM 677 C ASP A 40 -8.215 1.943 -16.004 1.00 0.00 C ATOM 678 O ASP A 40 -8.579 3.117 -15.945 1.00 0.00 O ATOM 679 CB ASP A 40 -9.724 0.374 -14.768 1.00 0.00 C ATOM 680 CG ASP A 40 -11.094 0.931 -14.436 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.210 2.164 -14.274 1.00 0.00 O ATOM 682 OD2 ASP A 40 -12.052 0.136 -14.339 1.00 0.00 O ATOM 0 H ASP A 40 -8.363 -1.090 -16.269 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.078 1.187 -16.725 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.759 -0.715 -14.729 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.010 0.698 -14.011 1.00 0.00 H new ATOM 687 N LYS A 41 -6.938 1.578 -15.945 1.00 0.00 N ATOM 688 CA LYS A 41 -5.867 2.560 -15.806 1.00 0.00 C ATOM 689 C LYS A 41 -5.785 3.455 -17.038 1.00 0.00 C ATOM 690 O LYS A 41 -5.804 4.682 -16.927 1.00 0.00 O ATOM 691 CB LYS A 41 -4.528 1.855 -15.583 1.00 0.00 C ATOM 692 CG LYS A 41 -3.616 2.577 -14.605 1.00 0.00 C ATOM 693 CD LYS A 41 -2.837 3.690 -15.288 1.00 0.00 C ATOM 694 CE LYS A 41 -1.421 3.253 -15.629 1.00 0.00 C ATOM 695 NZ LYS A 41 -0.422 4.309 -15.307 1.00 0.00 N ATOM 0 H LYS A 41 -6.619 0.610 -15.991 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.090 3.185 -14.941 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.715 0.846 -15.216 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.015 1.756 -16.540 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.210 2.993 -13.791 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.921 1.865 -14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.355 3.992 -16.199 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.802 4.563 -14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.179 2.344 -15.078 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.362 3.008 -16.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.531 3.973 -15.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.638 5.168 -15.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.460 4.525 -14.290 1.00 0.00 H new ATOM 709 N GLU A 42 -5.693 2.836 -18.209 1.00 0.00 N ATOM 710 CA GLU A 42 -5.606 3.579 -19.462 1.00 0.00 C ATOM 711 C GLU A 42 -6.838 4.458 -19.663 1.00 0.00 C ATOM 712 O GLU A 42 -6.788 5.455 -20.385 1.00 0.00 O ATOM 713 CB GLU A 42 -5.455 2.616 -20.641 1.00 0.00 C ATOM 714 CG GLU A 42 -6.647 1.692 -20.829 1.00 0.00 C ATOM 715 CD GLU A 42 -7.557 2.136 -21.955 1.00 0.00 C ATOM 716 OE1 GLU A 42 -7.040 2.656 -22.967 1.00 0.00 O ATOM 717 OE2 GLU A 42 -8.788 1.963 -21.829 1.00 0.00 O ATOM 0 H GLU A 42 -5.677 1.822 -18.318 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.728 4.223 -19.412 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.306 3.193 -21.554 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.559 2.014 -20.495 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.291 0.682 -21.032 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.218 1.648 -19.901 1.00 0.00 H new ATOM 724 N GLN A 43 -7.942 4.085 -19.022 1.00 0.00 N ATOM 725 CA GLN A 43 -9.185 4.842 -19.133 1.00 0.00 C ATOM 726 C GLN A 43 -9.138 6.118 -18.292 1.00 0.00 C ATOM 727 O GLN A 43 -10.067 6.925 -18.329 1.00 0.00 O ATOM 728 CB GLN A 43 -10.371 3.977 -18.704 1.00 0.00 C ATOM 729 CG GLN A 43 -11.077 3.295 -19.864 1.00 0.00 C ATOM 730 CD GLN A 43 -11.690 4.284 -20.835 1.00 0.00 C ATOM 731 OE1 GLN A 43 -11.278 4.373 -21.992 1.00 0.00 O ATOM 732 NE2 GLN A 43 -12.681 5.035 -20.369 1.00 0.00 N ATOM 0 H GLN A 43 -8.001 3.263 -18.420 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.308 5.130 -20.177 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.022 3.217 -18.005 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.088 4.598 -18.168 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.366 2.662 -20.396 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.858 2.641 -19.476 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.991 4.928 -19.403 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.132 5.719 -20.977 1.00 0.00 H new ATOM 741 N SER A 44 -8.058 6.296 -17.534 1.00 0.00 N ATOM 742 CA SER A 44 -7.903 7.476 -16.689 1.00 0.00 C ATOM 743 C SER A 44 -8.939 7.485 -15.570 1.00 0.00 C ATOM 744 O SER A 44 -9.372 8.546 -15.119 1.00 0.00 O ATOM 745 CB SER A 44 -8.027 8.752 -17.526 1.00 0.00 C ATOM 746 OG SER A 44 -7.073 9.721 -17.122 1.00 0.00 O ATOM 0 H SER A 44 -7.279 5.639 -17.488 1.00 0.00 H new ATOM 0 HA SER A 44 -6.910 7.441 -16.240 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.885 8.515 -18.580 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.032 9.162 -17.424 1.00 0.00 H new ATOM 0 HG SER A 44 -7.171 10.526 -17.672 1.00 0.00 H new ATOM 752 N ASN A 45 -9.333 6.297 -15.125 1.00 0.00 N ATOM 753 CA ASN A 45 -10.318 6.166 -14.056 1.00 0.00 C ATOM 754 C ASN A 45 -9.696 5.512 -12.824 1.00 0.00 C ATOM 755 O ASN A 45 -9.853 4.311 -12.601 1.00 0.00 O ATOM 756 CB ASN A 45 -11.519 5.349 -14.538 1.00 0.00 C ATOM 757 CG ASN A 45 -12.841 6.014 -14.204 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.612 5.513 -13.386 1.00 0.00 O ATOM 759 ND2 ASN A 45 -13.108 7.149 -14.839 1.00 0.00 N ATOM 0 H ASN A 45 -8.985 5.409 -15.488 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.658 7.164 -13.781 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.449 5.207 -15.616 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.488 4.359 -14.083 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.982 7.642 -14.656 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.439 7.528 -15.509 1.00 0.00 H new ATOM 766 N PRO A 46 -8.978 6.297 -12.002 1.00 0.00 N ATOM 767 CA PRO A 46 -8.331 5.790 -10.789 1.00 0.00 C ATOM 768 C PRO A 46 -9.333 5.456 -9.691 1.00 0.00 C ATOM 769 O PRO A 46 -10.185 6.273 -9.343 1.00 0.00 O ATOM 770 CB PRO A 46 -7.431 6.948 -10.357 1.00 0.00 C ATOM 771 CG PRO A 46 -8.095 8.164 -10.903 1.00 0.00 C ATOM 772 CD PRO A 46 -8.739 7.741 -12.194 1.00 0.00 C ATOM 0 HA PRO A 46 -7.794 4.860 -10.974 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.343 6.998 -9.272 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.422 6.835 -10.754 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.838 8.550 -10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.371 8.961 -11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.668 8.281 -12.375 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.089 7.930 -13.048 1.00 0.00 H new ATOM 780 N TYR A 47 -9.224 4.249 -9.146 1.00 0.00 N ATOM 781 CA TYR A 47 -10.119 3.805 -8.084 1.00 0.00 C ATOM 782 C TYR A 47 -9.893 4.619 -6.814 1.00 0.00 C ATOM 783 O TYR A 47 -10.842 4.979 -6.117 1.00 0.00 O ATOM 784 CB TYR A 47 -9.906 2.318 -7.796 1.00 0.00 C ATOM 785 CG TYR A 47 -10.937 1.726 -6.863 1.00 0.00 C ATOM 786 CD1 TYR A 47 -12.265 1.602 -7.252 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.584 1.292 -5.592 1.00 0.00 C ATOM 788 CE1 TYR A 47 -13.211 1.062 -6.402 1.00 0.00 C ATOM 789 CE2 TYR A 47 -11.525 0.750 -4.735 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.836 0.639 -5.145 1.00 0.00 C ATOM 791 OH TYR A 47 -13.775 0.100 -4.296 1.00 0.00 O ATOM 0 H TYR A 47 -8.524 3.560 -9.423 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.146 3.958 -8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.923 1.769 -8.737 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.915 2.179 -7.363 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.563 1.933 -8.236 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.558 1.379 -5.267 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -14.239 0.972 -6.721 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.234 0.416 -3.750 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.347 -0.149 -3.450 1.00 0.00 H new ATOM 801 N MET A 48 -8.629 4.905 -6.519 1.00 0.00 N ATOM 802 CA MET A 48 -8.275 5.678 -5.332 1.00 0.00 C ATOM 803 C MET A 48 -6.923 6.360 -5.513 1.00 0.00 C ATOM 804 O MET A 48 -5.905 5.699 -5.710 1.00 0.00 O ATOM 805 CB MET A 48 -8.241 4.773 -4.100 1.00 0.00 C ATOM 806 CG MET A 48 -8.401 5.526 -2.788 1.00 0.00 C ATOM 807 SD MET A 48 -7.991 4.515 -1.354 1.00 0.00 S ATOM 808 CE MET A 48 -6.259 4.182 -1.659 1.00 0.00 C ATOM 0 H MET A 48 -7.832 4.613 -7.085 1.00 0.00 H new ATOM 0 HA MET A 48 -9.035 6.446 -5.188 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.035 4.031 -4.183 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.296 4.229 -4.085 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.762 6.409 -2.800 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.429 5.877 -2.698 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.716 4.184 -0.714 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.154 3.207 -2.135 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.850 4.952 -2.314 1.00 0.00 H new ATOM 818 N VAL A 49 -6.920 7.688 -5.444 1.00 0.00 N ATOM 819 CA VAL A 49 -5.692 8.455 -5.601 1.00 0.00 C ATOM 820 C VAL A 49 -5.266 9.089 -4.280 1.00 0.00 C ATOM 821 O VAL A 49 -6.051 9.776 -3.627 1.00 0.00 O ATOM 822 CB VAL A 49 -5.851 9.559 -6.667 1.00 0.00 C ATOM 823 CG1 VAL A 49 -6.919 10.560 -6.252 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.521 10.256 -6.917 1.00 0.00 C ATOM 0 H VAL A 49 -7.753 8.253 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.921 7.757 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.171 9.093 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.014 11.329 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.873 10.046 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.636 11.023 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.653 11.031 -7.672 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.167 10.708 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.789 9.528 -7.268 1.00 0.00 H new ATOM 834 N LEU A 50 -4.017 8.851 -3.894 1.00 0.00 N ATOM 835 CA LEU A 50 -3.480 9.395 -2.652 1.00 0.00 C ATOM 836 C LEU A 50 -2.329 10.356 -2.933 1.00 0.00 C ATOM 837 O LEU A 50 -1.649 10.242 -3.952 1.00 0.00 O ATOM 838 CB LEU A 50 -3.003 8.266 -1.737 1.00 0.00 C ATOM 839 CG LEU A 50 -3.933 7.051 -1.665 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.236 5.810 -2.205 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.401 6.819 -0.236 1.00 0.00 C ATOM 0 H LEU A 50 -3.356 8.284 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.278 9.945 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.022 7.934 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.873 8.665 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.807 7.252 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.913 4.958 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.952 5.976 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.344 5.607 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.061 5.952 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.538 6.641 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.940 7.698 0.117 1.00 0.00 H new ATOM 853 N ASP A 51 -2.113 11.298 -2.022 1.00 0.00 N ATOM 854 CA ASP A 51 -1.041 12.274 -2.173 1.00 0.00 C ATOM 855 C ASP A 51 0.180 11.869 -1.353 1.00 0.00 C ATOM 856 O ASP A 51 0.106 11.750 -0.130 1.00 0.00 O ATOM 857 CB ASP A 51 -1.522 13.662 -1.744 1.00 0.00 C ATOM 858 CG ASP A 51 -2.465 14.285 -2.755 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.372 13.574 -3.237 1.00 0.00 O ATOM 860 OD2 ASP A 51 -2.298 15.483 -3.063 1.00 0.00 O ATOM 0 H ASP A 51 -2.666 11.406 -1.172 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.756 12.306 -3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.025 13.587 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.660 14.315 -1.604 1.00 0.00 H new ATOM 865 N ILE A 52 1.302 11.658 -2.035 1.00 0.00 N ATOM 866 CA ILE A 52 2.538 11.265 -1.369 1.00 0.00 C ATOM 867 C ILE A 52 2.923 12.267 -0.285 1.00 0.00 C ATOM 868 O ILE A 52 3.409 11.888 0.781 1.00 0.00 O ATOM 869 CB ILE A 52 3.701 11.131 -2.374 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.323 10.157 -3.493 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.968 10.669 -1.665 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.455 9.867 -4.454 1.00 0.00 C ATOM 0 H ILE A 52 1.380 11.753 -3.048 1.00 0.00 H new ATOM 0 HA ILE A 52 2.355 10.294 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 52 3.895 12.108 -2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.986 9.220 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.481 10.567 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.778 10.580 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.243 11.396 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.791 9.700 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.113 9.170 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.778 10.795 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.291 9.427 -3.910 1.00 0.00 H new ATOM 884 N ASP A 53 2.704 13.547 -0.566 1.00 0.00 N ATOM 885 CA ASP A 53 3.029 14.604 0.386 1.00 0.00 C ATOM 886 C ASP A 53 2.105 14.549 1.599 1.00 0.00 C ATOM 887 O ASP A 53 2.476 14.978 2.692 1.00 0.00 O ATOM 888 CB ASP A 53 2.927 15.972 -0.291 1.00 0.00 C ATOM 889 CG ASP A 53 3.250 17.115 0.653 1.00 0.00 C ATOM 890 OD1 ASP A 53 4.212 16.981 1.439 1.00 0.00 O ATOM 891 OD2 ASP A 53 2.542 18.142 0.606 1.00 0.00 O ATOM 0 H ASP A 53 2.303 13.878 -1.444 1.00 0.00 H new ATOM 0 HA ASP A 53 4.052 14.451 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.608 16.004 -1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.919 16.104 -0.685 1.00 0.00 H new ATOM 896 N LYS A 54 0.902 14.020 1.401 1.00 0.00 N ATOM 897 CA LYS A 54 -0.072 13.912 2.481 1.00 0.00 C ATOM 898 C LYS A 54 0.261 12.749 3.414 1.00 0.00 C ATOM 899 O LYS A 54 -0.251 12.675 4.530 1.00 0.00 O ATOM 900 CB LYS A 54 -1.480 13.733 1.911 1.00 0.00 C ATOM 901 CG LYS A 54 -2.143 15.040 1.504 1.00 0.00 C ATOM 902 CD LYS A 54 -3.605 15.083 1.922 1.00 0.00 C ATOM 903 CE LYS A 54 -3.867 16.185 2.936 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.198 16.821 2.736 1.00 0.00 N ATOM 0 H LYS A 54 0.578 13.660 0.503 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.032 14.836 3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.431 13.075 1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.103 13.235 2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.610 15.875 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.070 15.164 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.230 15.241 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.890 14.121 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.810 15.772 3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.087 16.943 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.337 17.567 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.244 17.238 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.944 16.104 2.836 1.00 0.00 H new ATOM 918 N LEU A 55 1.120 11.843 2.953 1.00 0.00 N ATOM 919 CA LEU A 55 1.514 10.689 3.755 1.00 0.00 C ATOM 920 C LEU A 55 2.065 11.124 5.109 1.00 0.00 C ATOM 921 O LEU A 55 2.606 12.221 5.246 1.00 0.00 O ATOM 922 CB LEU A 55 2.563 9.855 3.015 1.00 0.00 C ATOM 923 CG LEU A 55 2.096 9.231 1.698 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.117 8.222 1.196 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.735 8.570 1.870 1.00 0.00 C ATOM 0 H LEU A 55 1.555 11.886 2.031 1.00 0.00 H new ATOM 0 HA LEU A 55 0.625 10.081 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.427 10.487 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.900 9.057 3.676 1.00 0.00 H new ATOM 0 HG LEU A 55 2.001 10.025 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.769 7.788 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.072 8.721 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.243 7.432 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.421 8.132 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.803 7.788 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.005 9.316 2.185 1.00 0.00 H new ATOM 937 N PHE A 56 1.924 10.255 6.103 1.00 0.00 N ATOM 938 CA PHE A 56 2.408 10.546 7.447 1.00 0.00 C ATOM 939 C PHE A 56 3.558 9.618 7.818 1.00 0.00 C ATOM 940 O PHE A 56 4.511 10.027 8.481 1.00 0.00 O ATOM 941 CB PHE A 56 1.274 10.406 8.462 1.00 0.00 C ATOM 942 CG PHE A 56 0.484 11.668 8.660 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.126 12.872 8.902 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.900 11.650 8.602 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.402 14.034 9.084 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.630 12.809 8.782 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.977 14.003 9.024 1.00 0.00 C ATOM 0 H PHE A 56 1.478 9.343 6.004 1.00 0.00 H new ATOM 0 HA PHE A 56 2.772 11.573 7.463 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.601 9.614 8.135 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.691 10.095 9.420 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.205 12.902 8.949 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.414 10.719 8.414 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.914 14.966 9.273 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.709 12.782 8.734 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.545 14.911 9.166 1.00 0.00 H new ATOM 957 N HIS A 57 3.463 8.364 7.385 1.00 0.00 N ATOM 958 CA HIS A 57 4.497 7.379 7.671 1.00 0.00 C ATOM 959 C HIS A 57 4.194 6.049 6.988 1.00 0.00 C ATOM 960 O HIS A 57 3.065 5.560 7.027 1.00 0.00 O ATOM 961 CB HIS A 57 4.631 7.171 9.181 1.00 0.00 C ATOM 962 CG HIS A 57 6.050 7.036 9.640 1.00 0.00 C ATOM 963 ND1 HIS A 57 6.942 8.088 9.647 1.00 0.00 N ATOM 964 CD2 HIS A 57 6.733 5.964 10.107 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.111 7.667 10.098 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.010 6.383 10.384 1.00 0.00 N ATOM 0 H HIS A 57 2.681 8.008 6.836 1.00 0.00 H new ATOM 0 HA HIS A 57 5.440 7.760 7.277 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.168 8.011 9.698 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.078 6.277 9.467 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.345 4.965 10.237 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.998 8.272 10.213 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.760 5.797 10.751 1.00 0.00 H new ATOM 975 N VAL A 58 5.215 5.469 6.365 1.00 0.00 N ATOM 976 CA VAL A 58 5.072 4.195 5.673 1.00 0.00 C ATOM 977 C VAL A 58 6.223 3.256 6.028 1.00 0.00 C ATOM 978 O VAL A 58 7.392 3.600 5.853 1.00 0.00 O ATOM 979 CB VAL A 58 5.022 4.392 4.145 1.00 0.00 C ATOM 980 CG1 VAL A 58 6.184 5.254 3.678 1.00 0.00 C ATOM 981 CG2 VAL A 58 5.018 3.048 3.426 1.00 0.00 C ATOM 0 H VAL A 58 6.154 5.864 6.326 1.00 0.00 H new ATOM 0 HA VAL A 58 4.132 3.750 5.999 1.00 0.00 H new ATOM 0 HB VAL A 58 4.095 4.909 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.131 5.381 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.131 6.230 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.125 4.770 3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.982 3.212 2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.924 2.497 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.145 2.473 3.735 1.00 0.00 H new ATOM 991 N ARG A 59 5.885 2.073 6.529 1.00 0.00 N ATOM 992 CA ARG A 59 6.893 1.090 6.910 1.00 0.00 C ATOM 993 C ARG A 59 6.282 -0.306 7.016 1.00 0.00 C ATOM 994 O ARG A 59 5.072 -0.451 7.190 1.00 0.00 O ATOM 995 CB ARG A 59 7.534 1.481 8.244 1.00 0.00 C ATOM 996 CG ARG A 59 6.526 1.880 9.310 1.00 0.00 C ATOM 997 CD ARG A 59 6.031 0.670 10.088 1.00 0.00 C ATOM 998 NE ARG A 59 5.114 1.046 11.161 1.00 0.00 N ATOM 999 CZ ARG A 59 4.818 0.257 12.192 1.00 0.00 C ATOM 1000 NH1 ARG A 59 5.361 -0.950 12.292 1.00 0.00 N ATOM 1001 NH2 ARG A 59 3.974 0.676 13.126 1.00 0.00 N ATOM 0 H ARG A 59 4.922 1.772 6.681 1.00 0.00 H new ATOM 0 HA ARG A 59 7.659 1.072 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.127 0.644 8.612 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.222 2.310 8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.983 2.593 9.996 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.680 2.384 8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.530 -0.018 9.407 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.883 0.137 10.510 1.00 0.00 H new ATOM 0 HE ARG A 59 4.675 1.966 11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.009 -1.278 11.576 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.130 -1.549 13.084 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.552 1.602 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.747 0.072 13.916 1.00 0.00 H new ATOM 1015 N PRO A 60 7.116 -1.355 6.914 1.00 0.00 N ATOM 1016 CA PRO A 60 6.654 -2.745 7.000 1.00 0.00 C ATOM 1017 C PRO A 60 5.885 -3.015 8.289 1.00 0.00 C ATOM 1018 O PRO A 60 6.144 -2.395 9.320 1.00 0.00 O ATOM 1019 CB PRO A 60 7.950 -3.569 6.964 1.00 0.00 C ATOM 1020 CG PRO A 60 9.048 -2.595 7.237 1.00 0.00 C ATOM 1021 CD PRO A 60 8.568 -1.276 6.708 1.00 0.00 C ATOM 0 HA PRO A 60 5.963 -2.992 6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.933 -4.361 7.713 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.083 -4.049 5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.260 -2.534 8.305 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.972 -2.900 6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 60 9.009 -0.438 7.248 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.821 -1.145 5.656 1.00 0.00 H new ATOM 1029 N VAL A 61 4.937 -3.946 8.222 1.00 0.00 N ATOM 1030 CA VAL A 61 4.130 -4.296 9.384 1.00 0.00 C ATOM 1031 C VAL A 61 4.723 -5.490 10.126 1.00 0.00 C ATOM 1032 O VAL A 61 5.682 -6.107 9.663 1.00 0.00 O ATOM 1033 CB VAL A 61 2.678 -4.622 8.985 1.00 0.00 C ATOM 1034 CG1 VAL A 61 2.005 -3.403 8.375 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.638 -5.798 8.022 1.00 0.00 C ATOM 0 H VAL A 61 4.710 -4.470 7.377 1.00 0.00 H new ATOM 0 HA VAL A 61 4.130 -3.426 10.041 1.00 0.00 H new ATOM 0 HB VAL A 61 2.129 -4.900 9.885 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.980 -3.653 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.998 -2.590 9.101 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.554 -3.091 7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.604 -6.012 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.204 -5.552 7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.078 -6.674 8.499 1.00 0.00 H new ATOM 1045 N THR A 62 4.146 -5.809 11.280 1.00 0.00 N ATOM 1046 CA THR A 62 4.616 -6.928 12.087 1.00 0.00 C ATOM 1047 C THR A 62 3.493 -7.929 12.338 1.00 0.00 C ATOM 1048 O THR A 62 2.403 -7.806 11.780 1.00 0.00 O ATOM 1049 CB THR A 62 5.173 -6.425 13.420 1.00 0.00 C ATOM 1050 OG1 THR A 62 4.136 -5.900 14.229 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.222 -5.346 13.260 1.00 0.00 C ATOM 0 H THR A 62 3.351 -5.308 11.677 1.00 0.00 H new ATOM 0 HA THR A 62 5.410 -7.431 11.536 1.00 0.00 H new ATOM 0 HB THR A 62 5.637 -7.294 13.887 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.511 -5.585 15.078 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.575 -5.034 14.243 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.059 -5.735 12.680 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.788 -4.491 12.742 1.00 0.00 H new ATOM 1059 N GLN A 63 3.767 -8.919 13.180 1.00 0.00 N ATOM 1060 CA GLN A 63 2.779 -9.941 13.505 1.00 0.00 C ATOM 1061 C GLN A 63 1.603 -9.352 14.285 1.00 0.00 C ATOM 1062 O GLN A 63 0.565 -9.995 14.433 1.00 0.00 O ATOM 1063 CB GLN A 63 3.426 -11.067 14.315 1.00 0.00 C ATOM 1064 CG GLN A 63 2.572 -12.319 14.403 1.00 0.00 C ATOM 1065 CD GLN A 63 2.808 -13.270 13.245 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.844 -13.930 13.170 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.845 -13.342 12.334 1.00 0.00 N ATOM 0 H GLN A 63 4.665 -9.036 13.650 1.00 0.00 H new ATOM 0 HA GLN A 63 2.398 -10.344 12.566 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.385 -11.322 13.865 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.633 -10.706 15.323 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.784 -12.834 15.340 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.520 -12.035 14.427 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.003 -12.776 12.437 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.948 -13.963 11.531 1.00 0.00 H new ATOM 1076 N THR A 64 1.770 -8.130 14.783 1.00 0.00 N ATOM 1077 CA THR A 64 0.719 -7.466 15.546 1.00 0.00 C ATOM 1078 C THR A 64 -0.299 -6.806 14.620 1.00 0.00 C ATOM 1079 O THR A 64 -1.438 -6.553 15.014 1.00 0.00 O ATOM 1080 CB THR A 64 1.325 -6.421 16.484 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.864 -5.338 15.746 1.00 0.00 O ATOM 1082 CG2 THR A 64 2.428 -6.971 17.363 1.00 0.00 C ATOM 0 H THR A 64 2.622 -7.581 14.672 1.00 0.00 H new ATOM 0 HA THR A 64 0.204 -8.223 16.138 1.00 0.00 H new ATOM 0 HB THR A 64 0.503 -6.096 17.122 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.646 -5.644 15.240 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.813 -6.177 18.003 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.033 -7.776 17.982 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.234 -7.356 16.738 1.00 0.00 H new ATOM 1090 N ASP A 65 0.116 -6.525 13.387 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.763 -5.890 12.411 1.00 0.00 C ATOM 1092 C ASP A 65 -1.849 -6.853 11.937 1.00 0.00 C ATOM 1093 O ASP A 65 -2.939 -6.431 11.552 1.00 0.00 O ATOM 1094 CB ASP A 65 0.048 -5.391 11.214 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.657 -4.279 10.462 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.568 -4.584 9.665 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -0.297 -3.100 10.671 1.00 0.00 O ATOM 0 H ASP A 65 1.054 -6.727 13.041 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.246 -5.042 12.897 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.018 -5.034 11.559 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.237 -6.222 10.535 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.545 -8.147 11.965 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.498 -9.164 11.535 1.00 0.00 C ATOM 1104 C VAL A 66 -2.334 -10.446 12.339 1.00 0.00 C ATOM 1105 O VAL A 66 -1.323 -10.647 13.011 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.347 -9.491 10.036 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -3.186 -8.542 9.196 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.885 -9.440 9.614 1.00 0.00 C ATOM 0 H VAL A 66 -0.648 -8.515 12.280 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.492 -8.751 11.708 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.709 -10.506 9.870 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.067 -8.788 8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.235 -8.640 9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.859 -7.517 9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.804 -9.674 8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.488 -8.441 9.796 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.314 -10.168 10.191 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.337 -11.311 12.263 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.312 -12.579 12.981 1.00 0.00 C ATOM 1120 C TYR A 67 -3.534 -13.749 12.027 1.00 0.00 C ATOM 1121 O TYR A 67 -2.753 -14.700 12.003 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.382 -12.586 14.074 1.00 0.00 C ATOM 1123 CG TYR A 67 -5.742 -12.131 13.594 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.006 -10.787 13.368 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -6.762 -13.048 13.368 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.247 -10.367 12.928 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.005 -12.636 12.927 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.243 -11.295 12.709 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.480 -10.882 12.271 1.00 0.00 O ATOM 0 H TYR A 67 -4.180 -11.157 11.710 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.330 -12.691 13.440 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.468 -13.594 14.480 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.059 -11.940 14.890 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.228 -10.057 13.539 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.580 -14.099 13.540 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.436 -9.318 12.757 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.787 -13.361 12.754 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.066 -11.660 12.165 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.605 -13.671 11.243 1.00 0.00 N ATOM 1140 CA ARG A 68 -4.929 -14.724 10.286 1.00 0.00 C ATOM 1141 C ARG A 68 -3.820 -14.880 9.251 1.00 0.00 C ATOM 1142 O ARG A 68 -3.625 -15.961 8.696 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.256 -14.416 9.587 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.304 -13.035 8.951 1.00 0.00 C ATOM 1145 CD ARG A 68 -5.887 -13.078 7.491 1.00 0.00 C ATOM 1146 NE ARG A 68 -5.753 -11.740 6.922 1.00 0.00 N ATOM 1147 CZ ARG A 68 -5.515 -11.501 5.634 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -5.380 -12.508 4.780 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -5.413 -10.253 5.200 1.00 0.00 N ATOM 0 H ARG A 68 -5.262 -12.891 11.251 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.023 -15.662 10.834 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.435 -15.167 8.818 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.067 -14.502 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.314 -12.632 9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.647 -12.359 9.498 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.939 -13.608 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.624 -13.643 6.920 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.847 -10.941 7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.459 -13.470 5.109 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.198 -12.320 3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.517 -9.476 5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.231 -10.069 4.213 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.096 -13.794 8.996 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.006 -13.812 8.027 1.00 0.00 C ATOM 1165 C ALA A 69 -0.971 -14.873 8.382 1.00 0.00 C ATOM 1166 O ALA A 69 -1.205 -15.719 9.246 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.353 -12.439 7.947 1.00 0.00 C ATOM 0 H ALA A 69 -3.245 -12.891 9.447 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.422 -14.064 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.541 -12.464 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.094 -11.701 7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.957 -12.167 8.925 1.00 0.00 H new ATOM 1173 N ASP A 70 0.174 -14.825 7.710 1.00 0.00 N ATOM 1174 CA ASP A 70 1.246 -15.784 7.955 1.00 0.00 C ATOM 1175 C ASP A 70 2.561 -15.068 8.239 1.00 0.00 C ATOM 1176 O ASP A 70 2.857 -14.033 7.643 1.00 0.00 O ATOM 1177 CB ASP A 70 1.407 -16.718 6.753 1.00 0.00 C ATOM 1178 CG ASP A 70 1.609 -18.163 7.167 1.00 0.00 C ATOM 1179 OD1 ASP A 70 0.678 -18.744 7.763 1.00 0.00 O ATOM 1180 OD2 ASP A 70 2.696 -18.712 6.896 1.00 0.00 O ATOM 0 H ASP A 70 0.384 -14.132 6.991 1.00 0.00 H new ATOM 0 HA ASP A 70 0.979 -16.375 8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.524 -16.645 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.258 -16.392 6.154 1.00 0.00 H new ATOM 1185 N ALA A 71 3.347 -15.624 9.158 1.00 0.00 N ATOM 1186 CA ALA A 71 4.633 -15.041 9.526 1.00 0.00 C ATOM 1187 C ALA A 71 5.478 -14.727 8.295 1.00 0.00 C ATOM 1188 O ALA A 71 6.300 -13.812 8.312 1.00 0.00 O ATOM 1189 CB ALA A 71 5.388 -15.977 10.458 1.00 0.00 C ATOM 0 H ALA A 71 3.114 -16.480 9.662 1.00 0.00 H new ATOM 0 HA ALA A 71 4.437 -14.102 10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.346 -15.530 10.725 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.801 -16.143 11.361 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.559 -16.930 9.957 1.00 0.00 H new ATOM 1195 N LYS A 72 5.267 -15.489 7.228 1.00 0.00 N ATOM 1196 CA LYS A 72 6.009 -15.290 5.988 1.00 0.00 C ATOM 1197 C LYS A 72 5.492 -14.068 5.235 1.00 0.00 C ATOM 1198 O LYS A 72 6.249 -13.393 4.536 1.00 0.00 O ATOM 1199 CB LYS A 72 5.905 -16.532 5.100 1.00 0.00 C ATOM 1200 CG LYS A 72 6.182 -17.832 5.837 1.00 0.00 C ATOM 1201 CD LYS A 72 6.853 -18.853 4.933 1.00 0.00 C ATOM 1202 CE LYS A 72 7.173 -20.137 5.682 1.00 0.00 C ATOM 1203 NZ LYS A 72 7.467 -21.265 4.755 1.00 0.00 N ATOM 0 H LYS A 72 4.589 -16.250 7.196 1.00 0.00 H new ATOM 0 HA LYS A 72 7.055 -15.122 6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.906 -16.576 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.608 -16.436 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.819 -17.634 6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.247 -18.241 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.201 -19.076 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.771 -18.431 4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.030 -19.972 6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.331 -20.403 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.680 -22.121 5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.641 -21.440 4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.286 -21.023 4.162 1.00 0.00 H new ATOM 1217 N GLU A 73 4.201 -13.790 5.381 1.00 0.00 N ATOM 1218 CA GLU A 73 3.584 -12.649 4.715 1.00 0.00 C ATOM 1219 C GLU A 73 3.873 -11.349 5.458 1.00 0.00 C ATOM 1220 O GLU A 73 4.019 -10.293 4.845 1.00 0.00 O ATOM 1221 CB GLU A 73 2.072 -12.858 4.599 1.00 0.00 C ATOM 1222 CG GLU A 73 1.686 -14.247 4.118 1.00 0.00 C ATOM 1223 CD GLU A 73 2.195 -14.541 2.721 1.00 0.00 C ATOM 1224 OE1 GLU A 73 2.062 -13.663 1.842 1.00 0.00 O ATOM 1225 OE2 GLU A 73 2.730 -15.649 2.504 1.00 0.00 O ATOM 0 H GLU A 73 3.561 -14.340 5.955 1.00 0.00 H new ATOM 0 HA GLU A 73 4.015 -12.572 3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.613 -12.678 5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.663 -12.118 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.083 -14.990 4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.600 -14.344 4.133 1.00 0.00 H new ATOM 1232 N ILE A 74 3.950 -11.432 6.784 1.00 0.00 N ATOM 1233 CA ILE A 74 4.216 -10.259 7.616 1.00 0.00 C ATOM 1234 C ILE A 74 5.357 -9.407 7.051 1.00 0.00 C ATOM 1235 O ILE A 74 5.195 -8.203 6.856 1.00 0.00 O ATOM 1236 CB ILE A 74 4.551 -10.656 9.070 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.485 -11.605 9.629 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.670 -9.416 9.944 1.00 0.00 C ATOM 1239 CD1 ILE A 74 2.068 -11.103 9.452 1.00 0.00 C ATOM 0 H ILE A 74 3.832 -12.300 7.307 1.00 0.00 H new ATOM 0 HA ILE A 74 3.300 -9.668 7.611 1.00 0.00 H new ATOM 0 HB ILE A 74 5.509 -11.176 9.073 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.581 -12.574 9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.674 -11.764 10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.906 -9.712 10.966 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.463 -8.775 9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.726 -8.871 9.933 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.370 -11.828 9.872 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.953 -10.149 9.966 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.859 -10.971 8.390 1.00 0.00 H new ATOM 1251 N PRO A 75 6.527 -10.016 6.780 1.00 0.00 N ATOM 1252 CA PRO A 75 7.681 -9.288 6.239 1.00 0.00 C ATOM 1253 C PRO A 75 7.445 -8.780 4.817 1.00 0.00 C ATOM 1254 O PRO A 75 8.231 -7.989 4.295 1.00 0.00 O ATOM 1255 CB PRO A 75 8.803 -10.330 6.250 1.00 0.00 C ATOM 1256 CG PRO A 75 8.103 -11.642 6.211 1.00 0.00 C ATOM 1257 CD PRO A 75 6.826 -11.448 6.979 1.00 0.00 C ATOM 0 HA PRO A 75 7.901 -8.396 6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.464 -10.209 5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.420 -10.237 7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.899 -11.946 5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.714 -12.425 6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.026 -12.083 6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.950 -11.691 8.034 1.00 0.00 H new ATOM 1265 N ARG A 76 6.363 -9.238 4.190 1.00 0.00 N ATOM 1266 CA ARG A 76 6.040 -8.823 2.828 1.00 0.00 C ATOM 1267 C ARG A 76 4.860 -7.854 2.801 1.00 0.00 C ATOM 1268 O ARG A 76 4.352 -7.518 1.732 1.00 0.00 O ATOM 1269 CB ARG A 76 5.728 -10.046 1.964 1.00 0.00 C ATOM 1270 CG ARG A 76 6.706 -11.194 2.156 1.00 0.00 C ATOM 1271 CD ARG A 76 6.709 -12.130 0.959 1.00 0.00 C ATOM 1272 NE ARG A 76 5.449 -12.857 0.829 1.00 0.00 N ATOM 1273 CZ ARG A 76 5.300 -13.957 0.093 1.00 0.00 C ATOM 1274 NH1 ARG A 76 6.330 -14.459 -0.577 1.00 0.00 N ATOM 1275 NH2 ARG A 76 4.118 -14.556 0.029 1.00 0.00 N ATOM 0 H ARG A 76 5.699 -9.893 4.602 1.00 0.00 H new ATOM 0 HA ARG A 76 6.910 -8.305 2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.721 -10.395 2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.731 -9.749 0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.709 -10.797 2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.442 -11.752 3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.892 -11.556 0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.529 -12.841 1.057 1.00 0.00 H new ATOM 0 HE ARG A 76 4.636 -12.502 1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.241 -14.002 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.211 -15.302 -1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.324 -14.174 0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.003 -15.398 -0.534 1.00 0.00 H new ATOM 1289 N ILE A 77 4.424 -7.406 3.976 1.00 0.00 N ATOM 1290 CA ILE A 77 3.305 -6.475 4.068 1.00 0.00 C ATOM 1291 C ILE A 77 3.742 -5.147 4.678 1.00 0.00 C ATOM 1292 O ILE A 77 4.332 -5.113 5.758 1.00 0.00 O ATOM 1293 CB ILE A 77 2.152 -7.066 4.909 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.685 -8.391 4.304 1.00 0.00 C ATOM 1295 CG2 ILE A 77 0.992 -6.081 5.002 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.958 -9.284 5.285 1.00 0.00 C ATOM 0 H ILE A 77 4.828 -7.672 4.874 1.00 0.00 H new ATOM 0 HA ILE A 77 2.951 -6.302 3.052 1.00 0.00 H new ATOM 0 HB ILE A 77 2.519 -7.253 5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.028 -8.183 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.550 -8.926 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.191 -6.517 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.334 -5.159 5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.620 -5.861 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.657 -10.205 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.619 -9.523 6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.073 -8.769 5.660 1.00 0.00 H new ATOM 1308 N PHE A 78 3.444 -4.054 3.981 1.00 0.00 N ATOM 1309 CA PHE A 78 3.803 -2.723 4.458 1.00 0.00 C ATOM 1310 C PHE A 78 2.574 -1.823 4.533 1.00 0.00 C ATOM 1311 O PHE A 78 1.632 -1.974 3.754 1.00 0.00 O ATOM 1312 CB PHE A 78 4.863 -2.096 3.549 1.00 0.00 C ATOM 1313 CG PHE A 78 4.502 -2.116 2.090 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.536 -3.300 1.369 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.133 -0.950 1.439 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.209 -3.317 0.025 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.803 -0.962 0.096 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.842 -2.148 -0.611 1.00 0.00 C ATOM 0 H PHE A 78 2.956 -4.064 3.086 1.00 0.00 H new ATOM 0 HA PHE A 78 4.217 -2.824 5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.029 -1.064 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.806 -2.625 3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.821 -4.218 1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.103 -0.020 1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.241 -4.245 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.515 -0.046 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.586 -2.161 -1.660 1.00 0.00 H new ATOM 1328 N GLN A 79 2.586 -0.892 5.483 1.00 0.00 N ATOM 1329 CA GLN A 79 1.468 0.028 5.668 1.00 0.00 C ATOM 1330 C GLN A 79 1.874 1.463 5.343 1.00 0.00 C ATOM 1331 O GLN A 79 3.011 1.868 5.581 1.00 0.00 O ATOM 1332 CB GLN A 79 0.953 -0.055 7.108 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.162 0.928 7.421 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.437 1.044 8.908 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -0.053 2.025 9.546 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -1.103 0.041 9.467 1.00 0.00 N ATOM 0 H GLN A 79 3.357 -0.755 6.136 1.00 0.00 H new ATOM 0 HA GLN A 79 0.673 -0.264 4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.596 -1.067 7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.783 0.123 7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.102 1.909 7.027 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.072 0.614 6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.402 -0.752 8.899 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.316 0.063 10.464 1.00 0.00 H new ATOM 1345 N ILE A 80 0.929 2.228 4.803 1.00 0.00 N ATOM 1346 CA ILE A 80 1.174 3.622 4.450 1.00 0.00 C ATOM 1347 C ILE A 80 0.086 4.526 5.022 1.00 0.00 C ATOM 1348 O ILE A 80 -1.079 4.430 4.634 1.00 0.00 O ATOM 1349 CB ILE A 80 1.230 3.820 2.921 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.137 2.771 2.271 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.709 5.224 2.586 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.503 2.077 1.085 1.00 0.00 C ATOM 0 H ILE A 80 -0.017 1.904 4.600 1.00 0.00 H new ATOM 0 HA ILE A 80 2.140 3.891 4.878 1.00 0.00 H new ATOM 0 HB ILE A 80 0.224 3.693 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.062 3.251 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.408 2.024 3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.743 5.348 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.022 5.954 3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.705 5.377 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.201 1.348 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.593 1.569 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.257 2.814 0.321 1.00 0.00 H new ATOM 1364 N LEU A 81 0.468 5.401 5.947 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.483 6.317 6.568 1.00 0.00 C ATOM 1366 C LEU A 81 -0.612 7.603 5.762 1.00 0.00 C ATOM 1367 O LEU A 81 0.381 8.152 5.285 1.00 0.00 O ATOM 1368 CB LEU A 81 -0.055 6.642 8.001 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.962 7.633 8.736 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -2.270 6.966 9.132 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.256 8.194 9.960 1.00 0.00 C ATOM 0 H LEU A 81 1.427 5.495 6.282 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.455 5.825 6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.017 5.715 8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.957 7.045 7.980 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.188 8.459 8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.902 7.685 9.653 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.784 6.613 8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.063 6.121 9.789 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.915 8.896 10.470 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.000 7.379 10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.654 8.709 9.651 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.844 8.081 5.615 1.00 0.00 N ATOM 1384 CA TYR A 82 -2.105 9.307 4.868 1.00 0.00 C ATOM 1385 C TYR A 82 -3.259 10.086 5.489 1.00 0.00 C ATOM 1386 O TYR A 82 -4.222 9.500 5.986 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.421 8.988 3.406 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.325 7.790 3.226 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.867 6.506 3.491 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.635 7.943 2.788 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.689 5.409 3.327 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.463 6.849 2.622 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.985 5.585 2.892 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.806 4.493 2.726 1.00 0.00 O ATOM 0 H TYR A 82 -2.677 7.638 6.003 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.207 9.923 4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.890 9.858 2.947 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.487 8.811 2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.852 6.363 3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.012 8.932 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.318 4.417 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.479 6.984 2.282 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.612 3.829 3.420 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.155 11.410 5.457 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.190 12.271 6.016 1.00 0.00 C ATOM 1406 C ALA A 83 -5.405 12.337 5.095 1.00 0.00 C ATOM 1407 O ALA A 83 -5.301 12.768 3.946 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.635 13.666 6.265 1.00 0.00 C ATOM 0 H ALA A 83 -2.365 11.910 5.050 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.511 11.845 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.417 14.300 6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.803 13.607 6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.286 14.092 5.324 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.555 11.909 5.606 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.786 11.922 4.826 1.00 0.00 C ATOM 1416 C ASN A 84 -8.567 13.212 5.062 1.00 0.00 C ATOM 1417 O ASN A 84 -9.059 13.835 4.120 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.651 10.703 5.174 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.397 10.862 6.486 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.510 11.386 6.520 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.786 10.410 7.574 1.00 0.00 N ATOM 0 H ASN A 84 -6.659 11.550 6.555 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.520 11.874 3.770 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.369 10.533 4.372 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.017 9.818 5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.239 10.490 8.484 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.863 9.982 7.500 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.676 13.608 6.327 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.396 14.823 6.690 1.00 0.00 C ATOM 1430 C GLU A 85 -8.506 15.759 7.500 1.00 0.00 C ATOM 1431 O GLU A 85 -8.498 16.970 7.279 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.653 14.476 7.489 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.758 13.859 6.648 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.742 14.890 6.132 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -12.313 16.023 5.831 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.944 14.563 6.027 1.00 0.00 O ATOM 0 H GLU A 85 -8.274 13.104 7.118 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.688 15.332 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.386 13.784 8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.032 15.380 7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.315 13.330 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.292 13.118 7.243 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.758 15.191 8.440 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.875 15.986 9.269 1.00 0.00 C ATOM 1445 C GLY A 86 -5.579 15.268 9.593 1.00 0.00 C ATOM 1446 O GLY A 86 -4.663 15.228 8.773 1.00 0.00 O ATOM 0 H GLY A 86 -7.749 14.191 8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.650 16.923 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.386 16.242 10.197 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.504 14.699 10.792 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.310 13.979 11.222 1.00 0.00 C ATOM 1452 C ILE A 87 -4.677 12.675 11.919 1.00 0.00 C ATOM 1453 O ILE A 87 -4.398 11.588 11.411 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.445 14.828 12.177 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.498 16.307 11.785 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -2.009 14.328 12.173 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.612 17.073 12.465 1.00 0.00 C ATOM 0 H ILE A 87 -6.255 14.722 11.482 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.735 13.763 10.321 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.846 14.728 13.185 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.544 16.774 12.031 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.622 16.384 10.705 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.410 14.936 12.851 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.985 13.289 12.500 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.601 14.400 11.165 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.589 18.113 12.140 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.572 16.631 12.199 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.478 17.027 13.546 1.00 0.00 H new ATOM 1469 N SER A 88 -5.303 12.791 13.086 1.00 0.00 N ATOM 1470 CA SER A 88 -5.709 11.619 13.856 1.00 0.00 C ATOM 1471 C SER A 88 -6.614 10.708 13.033 1.00 0.00 C ATOM 1472 O SER A 88 -6.580 9.487 13.180 1.00 0.00 O ATOM 1473 CB SER A 88 -6.427 12.051 15.136 1.00 0.00 C ATOM 1474 OG SER A 88 -6.699 10.937 15.968 1.00 0.00 O ATOM 0 H SER A 88 -5.540 13.683 13.519 1.00 0.00 H new ATOM 0 HA SER A 88 -4.811 11.061 14.120 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.812 12.771 15.676 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.359 12.555 14.881 1.00 0.00 H new ATOM 0 HG SER A 88 -7.157 11.239 16.780 1.00 0.00 H new ATOM 1480 N SER A 89 -7.423 11.311 12.168 1.00 0.00 N ATOM 1481 CA SER A 89 -8.337 10.555 11.320 1.00 0.00 C ATOM 1482 C SER A 89 -7.592 9.876 10.174 1.00 0.00 C ATOM 1483 O SER A 89 -8.093 8.925 9.576 1.00 0.00 O ATOM 1484 CB SER A 89 -9.426 11.471 10.763 1.00 0.00 C ATOM 1485 OG SER A 89 -10.131 12.122 11.807 1.00 0.00 O ATOM 0 H SER A 89 -7.464 12.322 12.036 1.00 0.00 H new ATOM 0 HA SER A 89 -8.799 9.782 11.933 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.978 12.215 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.121 10.888 10.159 1.00 0.00 H new ATOM 0 HG SER A 89 -10.821 12.703 11.423 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.393 10.375 9.869 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.574 9.822 8.792 1.00 0.00 C ATOM 1493 C ALA A 90 -5.589 8.296 8.799 1.00 0.00 C ATOM 1494 O ALA A 90 -5.188 7.664 9.776 1.00 0.00 O ATOM 1495 CB ALA A 90 -4.146 10.333 8.905 1.00 0.00 C ATOM 0 H ALA A 90 -5.967 11.164 10.355 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.002 10.153 7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.545 9.915 8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.142 11.421 8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.726 10.030 9.864 1.00 0.00 H new ATOM 1501 N LYS A 91 -6.057 7.711 7.702 1.00 0.00 N ATOM 1502 CA LYS A 91 -6.127 6.260 7.578 1.00 0.00 C ATOM 1503 C LYS A 91 -4.814 5.698 7.043 1.00 0.00 C ATOM 1504 O LYS A 91 -3.858 6.439 6.813 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.281 5.861 6.657 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.613 6.478 7.049 1.00 0.00 C ATOM 1507 CD LYS A 91 -9.064 6.005 8.422 1.00 0.00 C ATOM 1508 CE LYS A 91 -10.235 5.040 8.324 1.00 0.00 C ATOM 1509 NZ LYS A 91 -10.576 4.445 9.645 1.00 0.00 N ATOM 0 H LYS A 91 -6.394 8.220 6.885 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.303 5.842 8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.039 6.157 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.378 4.775 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.526 7.565 7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.368 6.218 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.232 5.518 8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.350 6.865 9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.104 5.563 7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.992 4.245 7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.379 3.793 9.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.755 3.924 10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.833 5.202 10.311 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.775 4.384 6.846 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.578 3.724 6.338 1.00 0.00 C ATOM 1525 C ASN A 92 -3.930 2.728 5.238 1.00 0.00 C ATOM 1526 O ASN A 92 -5.089 2.338 5.086 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.832 3.013 7.472 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.763 2.463 8.539 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -3.587 2.731 9.727 1.00 0.00 O ATOM 1530 ND2 ASN A 92 -4.757 1.688 8.120 1.00 0.00 N ATOM 0 H ASN A 92 -5.557 3.756 7.030 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.927 4.489 5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.242 2.196 7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.132 3.710 7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.411 1.289 8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.866 1.492 7.125 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.924 2.321 4.470 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.128 1.373 3.382 1.00 0.00 C ATOM 1539 C LEU A 93 -2.193 0.176 3.520 1.00 0.00 C ATOM 1540 O LEU A 93 -0.974 0.315 3.430 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.898 2.059 2.031 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.023 1.876 1.012 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -3.784 2.754 -0.206 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -4.138 0.415 0.605 1.00 0.00 C ATOM 0 H LEU A 93 -1.959 2.633 4.582 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.157 1.016 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.754 3.126 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.972 1.677 1.600 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.963 2.179 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.594 2.612 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.750 3.800 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.837 2.481 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.943 0.302 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.199 0.086 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.354 -0.192 1.484 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.771 -1.001 3.734 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.981 -2.218 3.876 1.00 0.00 C ATOM 1558 C LEU A 94 -1.819 -2.906 2.528 1.00 0.00 C ATOM 1559 O LEU A 94 -2.804 -3.244 1.871 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.649 -3.172 4.873 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.519 -2.767 6.342 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.110 -3.035 6.846 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.884 -1.302 6.527 1.00 0.00 C ATOM 0 H LEU A 94 -3.779 -1.138 3.813 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.995 -1.947 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.708 -3.249 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.219 -4.165 4.746 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.214 -3.369 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.036 -2.741 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.885 -4.097 6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.397 -2.459 6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.785 -1.032 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.216 -0.682 5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.913 -1.140 6.206 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.572 -3.100 2.114 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.285 -3.734 0.839 1.00 0.00 C ATOM 1577 C LEU A 95 0.610 -4.957 1.015 1.00 0.00 C ATOM 1578 O LEU A 95 1.768 -4.841 1.414 1.00 0.00 O ATOM 1579 CB LEU A 95 0.370 -2.724 -0.096 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.447 -1.454 -0.334 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.253 -0.552 -1.330 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.846 -1.802 -0.822 1.00 0.00 C ATOM 0 H LEU A 95 0.255 -2.826 2.645 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.224 -4.075 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.340 -2.444 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.557 -3.205 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.536 -0.920 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.342 0.347 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.234 -0.275 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.372 -1.079 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.413 -0.885 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.777 -2.358 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.351 -2.412 -0.073 1.00 0.00 H new ATOM 1594 N LEU A 96 0.058 -6.127 0.711 1.00 0.00 N ATOM 1595 CA LEU A 96 0.795 -7.378 0.828 1.00 0.00 C ATOM 1596 C LEU A 96 1.550 -7.676 -0.464 1.00 0.00 C ATOM 1597 O LEU A 96 0.945 -7.946 -1.501 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.169 -8.524 1.165 1.00 0.00 C ATOM 1599 CG LEU A 96 0.373 -9.940 0.936 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.213 -10.385 2.121 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.772 -10.912 0.696 1.00 0.00 C ATOM 0 H LEU A 96 -0.901 -6.234 0.381 1.00 0.00 H new ATOM 0 HA LEU A 96 1.523 -7.283 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.462 -8.432 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.073 -8.400 0.569 1.00 0.00 H new ATOM 0 HG LEU A 96 1.008 -9.930 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.590 -11.392 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.052 -9.701 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.601 -10.382 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.372 -11.913 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.431 -10.920 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.335 -10.601 -0.184 1.00 0.00 H new ATOM 1613 N ALA A 97 2.876 -7.625 -0.394 1.00 0.00 N ATOM 1614 CA ALA A 97 3.713 -7.888 -1.557 1.00 0.00 C ATOM 1615 C ALA A 97 3.963 -9.383 -1.724 1.00 0.00 C ATOM 1616 O ALA A 97 4.321 -10.074 -0.771 1.00 0.00 O ATOM 1617 CB ALA A 97 5.032 -7.140 -1.438 1.00 0.00 C ATOM 0 H ALA A 97 3.394 -7.404 0.457 1.00 0.00 H new ATOM 0 HA ALA A 97 3.186 -7.532 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.647 -7.346 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.839 -6.069 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.557 -7.468 -0.541 1.00 0.00 H new ATOM 1623 N ASN A 98 3.773 -9.876 -2.944 1.00 0.00 N ATOM 1624 CA ASN A 98 3.980 -11.291 -3.241 1.00 0.00 C ATOM 1625 C ASN A 98 5.376 -11.743 -2.819 1.00 0.00 C ATOM 1626 O ASN A 98 5.603 -12.924 -2.559 1.00 0.00 O ATOM 1627 CB ASN A 98 3.776 -11.553 -4.734 1.00 0.00 C ATOM 1628 CG ASN A 98 4.546 -10.579 -5.602 1.00 0.00 C ATOM 1629 OD1 ASN A 98 5.746 -10.740 -5.823 1.00 0.00 O ATOM 1630 ND2 ASN A 98 3.859 -9.557 -6.100 1.00 0.00 N ATOM 0 H ASN A 98 3.476 -9.317 -3.744 1.00 0.00 H new ATOM 0 HA ASN A 98 3.248 -11.865 -2.673 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.090 -12.570 -4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.714 -11.485 -4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.325 -8.868 -6.690 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.865 -9.461 -5.892 1.00 0.00 H new ATOM 1637 N SER A 99 6.308 -10.795 -2.752 1.00 0.00 N ATOM 1638 CA SER A 99 7.679 -11.100 -2.361 1.00 0.00 C ATOM 1639 C SER A 99 8.211 -10.046 -1.396 1.00 0.00 C ATOM 1640 O SER A 99 7.899 -8.861 -1.520 1.00 0.00 O ATOM 1641 CB SER A 99 8.578 -11.179 -3.595 1.00 0.00 C ATOM 1642 OG SER A 99 7.850 -11.615 -4.730 1.00 0.00 O ATOM 0 H SER A 99 6.138 -9.812 -2.963 1.00 0.00 H new ATOM 0 HA SER A 99 7.683 -12.067 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.015 -10.200 -3.793 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.404 -11.864 -3.404 1.00 0.00 H new ATOM 0 HG SER A 99 7.249 -10.900 -5.027 1.00 0.00 H new ATOM 1648 N THR A 100 9.019 -10.485 -0.434 1.00 0.00 N ATOM 1649 CA THR A 100 9.596 -9.578 0.553 1.00 0.00 C ATOM 1650 C THR A 100 10.335 -8.430 -0.128 1.00 0.00 C ATOM 1651 O THR A 100 10.191 -7.271 0.258 1.00 0.00 O ATOM 1652 CB THR A 100 10.551 -10.338 1.475 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.134 -11.683 1.632 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.664 -9.728 2.855 1.00 0.00 C ATOM 0 H THR A 100 9.288 -11.462 -0.318 1.00 0.00 H new ATOM 0 HA THR A 100 8.782 -9.161 1.146 1.00 0.00 H new ATOM 0 HB THR A 100 11.525 -10.281 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.759 -12.152 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.357 -10.316 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.033 -8.706 2.772 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.684 -9.722 3.332 1.00 0.00 H new ATOM 1662 N GLU A 101 11.124 -8.764 -1.144 1.00 0.00 N ATOM 1663 CA GLU A 101 11.887 -7.763 -1.882 1.00 0.00 C ATOM 1664 C GLU A 101 10.974 -6.671 -2.433 1.00 0.00 C ATOM 1665 O GLU A 101 11.350 -5.500 -2.483 1.00 0.00 O ATOM 1666 CB GLU A 101 12.658 -8.423 -3.027 1.00 0.00 C ATOM 1667 CG GLU A 101 13.447 -9.648 -2.600 1.00 0.00 C ATOM 1668 CD GLU A 101 14.607 -9.947 -3.531 1.00 0.00 C ATOM 1669 OE1 GLU A 101 15.437 -9.041 -3.755 1.00 0.00 O ATOM 1670 OE2 GLU A 101 14.685 -11.086 -4.036 1.00 0.00 O ATOM 0 H GLU A 101 11.252 -9.720 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 101 12.593 -7.303 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.956 -8.708 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.342 -7.694 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.826 -9.497 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.782 -10.511 -2.566 1.00 0.00 H new ATOM 1677 N GLU A 102 9.772 -7.062 -2.843 1.00 0.00 N ATOM 1678 CA GLU A 102 8.805 -6.116 -3.390 1.00 0.00 C ATOM 1679 C GLU A 102 8.396 -5.088 -2.338 1.00 0.00 C ATOM 1680 O GLU A 102 8.189 -3.916 -2.651 1.00 0.00 O ATOM 1681 CB GLU A 102 7.570 -6.858 -3.906 1.00 0.00 C ATOM 1682 CG GLU A 102 7.116 -6.399 -5.284 1.00 0.00 C ATOM 1683 CD GLU A 102 7.365 -7.441 -6.357 1.00 0.00 C ATOM 1684 OE1 GLU A 102 6.688 -8.489 -6.333 1.00 0.00 O ATOM 1685 OE2 GLU A 102 8.234 -7.206 -7.222 1.00 0.00 O ATOM 0 H GLU A 102 9.444 -8.027 -2.807 1.00 0.00 H new ATOM 0 HA GLU A 102 9.276 -5.590 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.786 -7.926 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.752 -6.721 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.052 -6.163 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.639 -5.480 -5.547 1.00 0.00 H new ATOM 1692 N GLN A 103 8.283 -5.536 -1.094 1.00 0.00 N ATOM 1693 CA GLN A 103 7.899 -4.653 0.003 1.00 0.00 C ATOM 1694 C GLN A 103 9.009 -3.653 0.313 1.00 0.00 C ATOM 1695 O GLN A 103 8.743 -2.507 0.678 1.00 0.00 O ATOM 1696 CB GLN A 103 7.566 -5.470 1.253 1.00 0.00 C ATOM 1697 CG GLN A 103 7.211 -4.621 2.464 1.00 0.00 C ATOM 1698 CD GLN A 103 8.309 -4.604 3.509 1.00 0.00 C ATOM 1699 OE1 GLN A 103 8.405 -5.508 4.339 1.00 0.00 O ATOM 1700 NE2 GLN A 103 9.145 -3.573 3.472 1.00 0.00 N ATOM 0 H GLN A 103 8.451 -6.504 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 103 7.013 -4.098 -0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.732 -6.135 1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.419 -6.102 1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.008 -3.600 2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.294 -5.002 2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.028 -2.846 2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.905 -3.508 4.150 1.00 0.00 H new ATOM 1709 N GLN A 104 10.255 -4.093 0.169 1.00 0.00 N ATOM 1710 CA GLN A 104 11.404 -3.232 0.439 1.00 0.00 C ATOM 1711 C GLN A 104 11.512 -2.124 -0.604 1.00 0.00 C ATOM 1712 O GLN A 104 11.854 -0.987 -0.280 1.00 0.00 O ATOM 1713 CB GLN A 104 12.708 -4.042 0.462 1.00 0.00 C ATOM 1714 CG GLN A 104 12.545 -5.481 0.927 1.00 0.00 C ATOM 1715 CD GLN A 104 11.728 -5.605 2.198 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.456 -4.613 2.874 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.333 -6.829 2.526 1.00 0.00 N ATOM 0 H GLN A 104 10.496 -5.037 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 104 11.250 -2.783 1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.139 -4.043 -0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.422 -3.540 1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.067 -6.060 0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.530 -5.918 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.583 -7.621 1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.780 -6.977 3.370 1.00 0.00 H new ATOM 1726 N LYS A 105 11.226 -2.463 -1.857 1.00 0.00 N ATOM 1727 CA LYS A 105 11.303 -1.493 -2.943 1.00 0.00 C ATOM 1728 C LYS A 105 10.103 -0.548 -2.928 1.00 0.00 C ATOM 1729 O LYS A 105 10.260 0.666 -3.053 1.00 0.00 O ATOM 1730 CB LYS A 105 11.403 -2.210 -4.297 1.00 0.00 C ATOM 1731 CG LYS A 105 10.058 -2.550 -4.929 1.00 0.00 C ATOM 1732 CD LYS A 105 10.231 -3.260 -6.262 1.00 0.00 C ATOM 1733 CE LYS A 105 9.912 -2.340 -7.429 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.536 -2.812 -8.697 1.00 0.00 N ATOM 0 H LYS A 105 10.940 -3.399 -2.145 1.00 0.00 H new ATOM 0 HA LYS A 105 12.203 -0.896 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 105 11.967 -1.582 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.973 -3.130 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.486 -3.183 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 105 9.482 -1.636 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.255 -3.622 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.580 -4.133 -6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.831 -2.278 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.264 -1.333 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.294 -2.157 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.569 -2.847 -8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.181 -3.762 -8.926 1.00 0.00 H new ATOM 1748 N TRP A 106 8.906 -1.109 -2.785 1.00 0.00 N ATOM 1749 CA TRP A 106 7.690 -0.305 -2.769 1.00 0.00 C ATOM 1750 C TRP A 106 7.725 0.729 -1.649 1.00 0.00 C ATOM 1751 O TRP A 106 7.492 1.916 -1.877 1.00 0.00 O ATOM 1752 CB TRP A 106 6.459 -1.191 -2.605 1.00 0.00 C ATOM 1753 CG TRP A 106 5.773 -1.466 -3.901 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.051 -2.476 -4.763 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.709 -0.711 -4.493 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.213 -2.417 -5.851 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.384 -1.338 -5.710 1.00 0.00 C ATOM 1758 CE3 TRP A 106 3.997 0.428 -4.112 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.379 -0.864 -6.547 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 3.000 0.897 -4.948 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.700 0.252 -6.150 1.00 0.00 C ATOM 0 H TRP A 106 8.753 -2.112 -2.679 1.00 0.00 H new ATOM 0 HA TRP A 106 7.632 0.217 -3.724 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.754 -2.135 -2.147 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.758 -0.710 -1.922 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.820 -3.220 -4.616 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.210 -3.070 -6.634 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.220 0.932 -3.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.144 -1.361 -7.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.443 1.778 -4.666 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.914 0.644 -6.779 1.00 0.00 H new ATOM 1772 N VAL A 107 8.016 0.263 -0.441 1.00 0.00 N ATOM 1773 CA VAL A 107 8.078 1.136 0.726 1.00 0.00 C ATOM 1774 C VAL A 107 9.209 2.151 0.598 1.00 0.00 C ATOM 1775 O VAL A 107 9.002 3.349 0.782 1.00 0.00 O ATOM 1776 CB VAL A 107 8.272 0.319 2.018 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.252 1.226 3.241 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.204 -0.759 2.131 1.00 0.00 C ATOM 0 H VAL A 107 8.214 -0.718 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 107 7.129 1.669 0.778 1.00 0.00 H new ATOM 0 HB VAL A 107 9.247 -0.165 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.391 0.627 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.056 1.958 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.294 1.744 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.356 -1.327 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.218 -0.294 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.272 -1.430 1.274 1.00 0.00 H new ATOM 1788 N SER A 108 10.405 1.663 0.290 1.00 0.00 N ATOM 1789 CA SER A 108 11.571 2.528 0.147 1.00 0.00 C ATOM 1790 C SER A 108 11.387 3.528 -0.992 1.00 0.00 C ATOM 1791 O SER A 108 11.848 4.667 -0.907 1.00 0.00 O ATOM 1792 CB SER A 108 12.825 1.688 -0.097 1.00 0.00 C ATOM 1793 OG SER A 108 14.000 2.460 0.088 1.00 0.00 O ATOM 0 H SER A 108 10.593 0.673 0.134 1.00 0.00 H new ATOM 0 HA SER A 108 11.685 3.088 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.834 0.837 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.806 1.286 -1.110 1.00 0.00 H new ATOM 0 HG SER A 108 14.788 1.900 -0.072 1.00 0.00 H new ATOM 1799 N ARG A 109 10.720 3.100 -2.059 1.00 0.00 N ATOM 1800 CA ARG A 109 10.491 3.968 -3.209 1.00 0.00 C ATOM 1801 C ARG A 109 9.399 4.993 -2.920 1.00 0.00 C ATOM 1802 O ARG A 109 9.606 6.199 -3.078 1.00 0.00 O ATOM 1803 CB ARG A 109 10.115 3.138 -4.437 1.00 0.00 C ATOM 1804 CG ARG A 109 11.302 2.446 -5.090 1.00 0.00 C ATOM 1805 CD ARG A 109 11.711 3.129 -6.386 1.00 0.00 C ATOM 1806 NE ARG A 109 13.093 3.601 -6.345 1.00 0.00 N ATOM 1807 CZ ARG A 109 13.471 4.750 -5.788 1.00 0.00 C ATOM 1808 NH1 ARG A 109 12.573 5.551 -5.226 1.00 0.00 N ATOM 1809 NH2 ARG A 109 14.749 5.101 -5.794 1.00 0.00 N ATOM 0 H ARG A 109 10.330 2.162 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 109 11.418 4.505 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.381 2.386 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.634 3.786 -5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.145 2.442 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.050 1.405 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.590 2.433 -7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.046 3.971 -6.577 1.00 0.00 H new ATOM 0 HE ARG A 109 13.812 3.015 -6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.588 5.287 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 109 12.869 6.430 -4.801 1.00 0.00 H new ATOM 0 HH21 ARG A 109 15.443 4.491 -6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 109 15.038 5.981 -5.367 1.00 0.00 H new ATOM 1823 N LEU A 110 8.235 4.508 -2.502 1.00 0.00 N ATOM 1824 CA LEU A 110 7.111 5.384 -2.202 1.00 0.00 C ATOM 1825 C LEU A 110 7.445 6.325 -1.047 1.00 0.00 C ATOM 1826 O LEU A 110 7.024 7.481 -1.035 1.00 0.00 O ATOM 1827 CB LEU A 110 5.858 4.557 -1.885 1.00 0.00 C ATOM 1828 CG LEU A 110 5.744 4.056 -0.443 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.013 5.077 0.415 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.023 2.716 -0.397 1.00 0.00 C ATOM 0 H LEU A 110 8.046 3.515 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 110 6.909 5.994 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.979 5.161 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.834 3.696 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 110 6.750 3.921 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.940 4.707 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.563 6.018 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.012 5.239 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.952 2.376 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.021 2.827 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.579 1.983 -0.982 1.00 0.00 H new ATOM 1842 N VAL A 111 8.211 5.826 -0.078 1.00 0.00 N ATOM 1843 CA VAL A 111 8.600 6.634 1.072 1.00 0.00 C ATOM 1844 C VAL A 111 9.625 7.689 0.670 1.00 0.00 C ATOM 1845 O VAL A 111 9.537 8.845 1.079 1.00 0.00 O ATOM 1846 CB VAL A 111 9.171 5.765 2.213 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.584 5.296 1.895 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.140 6.525 3.529 1.00 0.00 C ATOM 0 H VAL A 111 8.572 4.872 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 111 7.699 7.128 1.436 1.00 0.00 H new ATOM 0 HB VAL A 111 8.541 4.881 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.959 4.686 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.574 4.704 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.233 6.161 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.546 5.897 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.740 7.431 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.111 6.793 3.770 1.00 0.00 H new ATOM 1858 N LYS A 112 10.597 7.280 -0.141 1.00 0.00 N ATOM 1859 CA LYS A 112 11.635 8.191 -0.607 1.00 0.00 C ATOM 1860 C LYS A 112 11.017 9.347 -1.385 1.00 0.00 C ATOM 1861 O LYS A 112 11.532 10.463 -1.376 1.00 0.00 O ATOM 1862 CB LYS A 112 12.643 7.447 -1.486 1.00 0.00 C ATOM 1863 CG LYS A 112 13.781 6.812 -0.704 1.00 0.00 C ATOM 1864 CD LYS A 112 14.801 6.169 -1.629 1.00 0.00 C ATOM 1865 CE LYS A 112 16.013 7.064 -1.832 1.00 0.00 C ATOM 1866 NZ LYS A 112 16.881 6.583 -2.942 1.00 0.00 N ATOM 0 H LYS A 112 10.686 6.325 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 112 12.156 8.592 0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.121 6.671 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.058 8.142 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.270 7.569 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.381 6.061 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.119 5.213 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.338 5.959 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.682 8.080 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.593 7.104 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.696 7.221 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 17.219 5.623 -2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.336 6.569 -3.828 1.00 0.00 H new ATOM 1880 N LYS A 113 9.903 9.066 -2.055 1.00 0.00 N ATOM 1881 CA LYS A 113 9.204 10.079 -2.837 1.00 0.00 C ATOM 1882 C LYS A 113 8.563 11.126 -1.927 1.00 0.00 C ATOM 1883 O LYS A 113 8.313 12.255 -2.346 1.00 0.00 O ATOM 1884 CB LYS A 113 8.135 9.428 -3.715 1.00 0.00 C ATOM 1885 CG LYS A 113 8.683 8.369 -4.658 1.00 0.00 C ATOM 1886 CD LYS A 113 8.615 8.821 -6.108 1.00 0.00 C ATOM 1887 CE LYS A 113 7.193 8.763 -6.645 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.145 8.239 -8.039 1.00 0.00 N ATOM 0 H LYS A 113 9.465 8.145 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 113 9.935 10.577 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.377 8.976 -3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.637 10.201 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.717 8.146 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.117 7.445 -4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.995 9.839 -6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 113 9.261 8.189 -6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.587 8.129 -5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.754 9.760 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.210 7.821 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.312 9.017 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.879 7.513 -8.162 1.00 0.00 H new ATOM 1902 N ILE A 114 8.295 10.741 -0.682 1.00 0.00 N ATOM 1903 CA ILE A 114 7.680 11.645 0.283 1.00 0.00 C ATOM 1904 C ILE A 114 8.627 12.786 0.654 1.00 0.00 C ATOM 1905 O ILE A 114 9.815 12.563 0.886 1.00 0.00 O ATOM 1906 CB ILE A 114 7.269 10.898 1.568 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.458 9.648 1.222 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.470 11.815 2.485 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.012 8.860 2.435 1.00 0.00 C ATOM 0 H ILE A 114 8.494 9.809 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 114 6.790 12.056 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 114 8.173 10.589 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.580 9.942 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.057 9.002 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.188 11.272 3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.078 12.678 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.571 12.152 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.443 7.988 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.886 8.535 2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.386 9.489 3.067 1.00 0.00 H new ATOM 1921 N PRO A 115 8.114 14.029 0.713 1.00 0.00 N ATOM 1922 CA PRO A 115 8.926 15.200 1.057 1.00 0.00 C ATOM 1923 C PRO A 115 9.270 15.250 2.542 1.00 0.00 C ATOM 1924 O PRO A 115 10.397 15.570 2.917 1.00 0.00 O ATOM 1925 CB PRO A 115 8.024 16.374 0.678 1.00 0.00 C ATOM 1926 CG PRO A 115 6.640 15.846 0.825 1.00 0.00 C ATOM 1927 CD PRO A 115 6.707 14.390 0.450 1.00 0.00 C ATOM 0 HA PRO A 115 9.887 15.198 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.193 17.231 1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 115 8.215 16.708 -0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.282 15.969 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.947 16.384 0.178 1.00 0.00 H new ATOM 0 HD2 PRO A 115 6.021 13.790 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.441 14.232 -0.595 1.00 0.00 H new ATOM 1935 N LYS A 116 8.290 14.933 3.382 1.00 0.00 N ATOM 1936 CA LYS A 116 8.488 14.944 4.827 1.00 0.00 C ATOM 1937 C LYS A 116 8.780 13.540 5.347 1.00 0.00 C ATOM 1938 O LYS A 116 8.315 13.154 6.419 1.00 0.00 O ATOM 1939 CB LYS A 116 7.253 15.514 5.528 1.00 0.00 C ATOM 1940 CG LYS A 116 7.035 16.996 5.265 1.00 0.00 C ATOM 1941 CD LYS A 116 8.123 17.841 5.907 1.00 0.00 C ATOM 1942 CE LYS A 116 7.619 19.233 6.248 1.00 0.00 C ATOM 1943 NZ LYS A 116 7.281 19.362 7.693 1.00 0.00 N ATOM 0 H LYS A 116 7.351 14.665 3.087 1.00 0.00 H new ATOM 0 HA LYS A 116 9.347 15.579 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.372 14.962 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.349 15.354 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.018 17.177 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 116 6.062 17.297 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.479 17.350 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 116 8.974 17.917 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.379 19.969 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 116 6.738 19.457 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.941 20.326 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.538 18.677 7.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.128 19.173 8.266 1.00 0.00 H new ATOM 1957 N LYS A 117 9.553 12.779 4.578 1.00 0.00 N ATOM 1958 CA LYS A 117 9.908 11.418 4.961 1.00 0.00 C ATOM 1959 C LYS A 117 10.660 11.404 6.287 1.00 0.00 C ATOM 1960 O LYS A 117 10.038 11.069 7.316 1.00 0.00 O ATOM 1961 CB LYS A 117 10.760 10.765 3.870 1.00 0.00 C ATOM 1962 CG LYS A 117 10.969 9.274 4.073 1.00 0.00 C ATOM 1963 CD LYS A 117 12.308 8.984 4.732 1.00 0.00 C ATOM 1964 CE LYS A 117 12.178 7.933 5.823 1.00 0.00 C ATOM 1965 NZ LYS A 117 13.256 8.052 6.843 1.00 0.00 N ATOM 1966 OXT LYS A 117 11.867 11.728 6.286 1.00 0.00 O ATOM 0 H LYS A 117 9.945 13.082 3.686 1.00 0.00 H new ATOM 0 HA LYS A 117 8.986 10.849 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.285 10.928 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.731 11.258 3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 117 10.164 8.873 4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.918 8.764 3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.018 8.642 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 117 12.712 9.903 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.207 8.032 6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.210 6.940 5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.130 7.317 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 14.182 7.932 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 13.210 8.990 7.289 1.00 0.00 H new TER 1980 LYS A 117