USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 865 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 130 SER OG : rot 180:sc= 0.121 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -146:sc= 0.448 (180deg=0.26) USER MOD Set 2.1: A 103 GLN :FLIP amide:sc= 0 F(o=-1.6,f=-0.4) USER MOD Set 2.2: A 107 TYR OH : rot 30:sc= -0.402 USER MOD Set 3.1: A 95 ASN : amide:sc= -4.02! C(o=-4.4!,f=-9.6!) USER MOD Set 3.2: A 96 ASN : amide:sc= -0.377 X(o=-4.4,f=-4.5) USER MOD Set 4.1: A 80 GLN : amide:sc= -6.6! C(o=-8!,f=-13!) USER MOD Set 4.2: A 97 MET CE :methyl 170:sc= -1.36 (180deg=-0.833) USER MOD Set 5.1: A 69 THR OG1 : rot -75:sc= 1.34 USER MOD Set 5.2: A 74 SER OG : rot 74:sc= 1.1 USER MOD Single : A 44 SER OG : rot 172:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -121:sc= -4.44! (180deg=-6.74!) USER MOD Single : A 62 THR OG1 : rot -67:sc= 0.415 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.125! USER MOD Single : A 70 LYS NZ :NH3+ -121:sc= -0.099 (180deg=-0.675) USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.378! C(o=-0.38!,f=-13!) USER MOD Single : A 82 GLN :FLIP amide:sc= 0.053 F(o=-2.1!,f=0.053) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -2.06! C(o=-4!,f=-2.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -5.37! C(o=-5.4!,f=-5.2!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -1! C(o=-1.8!,f=-1!) USER MOD Single : A 106 MET CE :methyl -170:sc= 0 (180deg=-0.0104) USER MOD Single : A 110 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.086) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= -0.0584 (180deg=-0.0584) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -1.98! C(o=-2!,f=-5.7!) USER MOD Single : A 131 HIS : no HE2:sc= -6.31! C(o=-6.3!,f=-8.4!) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.471 F(o=-4.2!,f=-0.47) USER MOD Single : A 138 SER OG : rot 9:sc= 0.062! USER MOD Single : A 144 GLN :FLIP amide:sc= -4.68! C(o=-6.3!,f=-4.7!) USER MOD Single : A 146 LYS NZ :NH3+ 169:sc= -0.242 (180deg=-0.466) USER MOD Single : A 148 LYS NZ :NH3+ 146:sc= -0.196 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 43 19.512 5.670 1.048 1.00 0.00 N ATOM 2 CA GLY A 43 20.765 6.237 1.623 1.00 0.00 C ATOM 3 C GLY A 43 21.037 5.598 2.986 1.00 0.00 C ATOM 4 O GLY A 43 22.167 5.333 3.343 1.00 0.00 O ATOM 0 HA2 GLY A 43 21.602 6.053 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.673 7.318 1.728 1.00 0.00 H new ATOM 8 N SER A 44 20.009 5.348 3.750 1.00 0.00 N ATOM 9 CA SER A 44 20.210 4.726 5.090 1.00 0.00 C ATOM 10 C SER A 44 20.429 3.221 4.926 1.00 0.00 C ATOM 11 O SER A 44 21.540 2.760 4.759 1.00 0.00 O ATOM 12 CB SER A 44 18.975 4.971 5.956 1.00 0.00 C ATOM 13 OG SER A 44 19.149 4.329 7.213 1.00 0.00 O ATOM 0 H SER A 44 19.039 5.547 3.505 1.00 0.00 H new ATOM 0 HA SER A 44 21.083 5.169 5.569 1.00 0.00 H new ATOM 0 HB2 SER A 44 18.823 6.041 6.099 1.00 0.00 H new ATOM 0 HB3 SER A 44 18.085 4.586 5.458 1.00 0.00 H new ATOM 0 HG SER A 44 18.422 4.589 7.816 1.00 0.00 H new ATOM 19 N GLY A 45 19.377 2.450 4.973 1.00 0.00 N ATOM 20 CA GLY A 45 19.527 0.976 4.820 1.00 0.00 C ATOM 21 C GLY A 45 18.163 0.347 4.530 1.00 0.00 C ATOM 22 O GLY A 45 17.722 -0.544 5.226 1.00 0.00 O ATOM 0 H GLY A 45 18.421 2.777 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.221 0.753 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.950 0.547 5.728 1.00 0.00 H new ATOM 26 N VAL A 46 17.496 0.805 3.502 1.00 0.00 N ATOM 27 CA VAL A 46 16.158 0.240 3.151 1.00 0.00 C ATOM 28 C VAL A 46 16.205 -1.304 3.245 1.00 0.00 C ATOM 29 O VAL A 46 16.825 -1.927 2.406 1.00 0.00 O ATOM 30 CB VAL A 46 15.822 0.640 1.711 1.00 0.00 C ATOM 31 CG1 VAL A 46 14.448 0.083 1.326 1.00 0.00 C ATOM 32 CG2 VAL A 46 15.800 2.168 1.607 1.00 0.00 C ATOM 0 H VAL A 46 17.823 1.550 2.887 1.00 0.00 H new ATOM 0 HA VAL A 46 15.404 0.623 3.839 1.00 0.00 H new ATOM 0 HB VAL A 46 16.575 0.234 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.213 0.370 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.461 -1.004 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.691 0.486 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.561 2.460 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 46 15.045 2.568 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 46 16.778 2.565 1.879 1.00 0.00 H new ATOM 42 N PRO A 47 15.575 -1.904 4.253 1.00 0.00 N ATOM 43 CA PRO A 47 15.595 -3.377 4.394 1.00 0.00 C ATOM 44 C PRO A 47 14.774 -4.036 3.271 1.00 0.00 C ATOM 45 O PRO A 47 14.167 -5.070 3.461 1.00 0.00 O ATOM 46 CB PRO A 47 14.970 -3.654 5.783 1.00 0.00 C ATOM 47 CG PRO A 47 14.409 -2.305 6.318 1.00 0.00 C ATOM 48 CD PRO A 47 14.820 -1.200 5.319 1.00 0.00 C ATOM 0 HA PRO A 47 16.602 -3.788 4.317 1.00 0.00 H new ATOM 0 HB2 PRO A 47 14.176 -4.396 5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.717 -4.057 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.324 -2.352 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 47 14.806 -2.091 7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.946 -0.691 4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.435 -0.441 5.802 1.00 0.00 H new ATOM 56 N ALA A 48 14.762 -3.448 2.109 1.00 0.00 N ATOM 57 CA ALA A 48 13.996 -4.033 0.969 1.00 0.00 C ATOM 58 C ALA A 48 12.490 -3.929 1.234 1.00 0.00 C ATOM 59 O ALA A 48 11.699 -3.869 0.316 1.00 0.00 O ATOM 60 CB ALA A 48 14.391 -5.507 0.782 1.00 0.00 C ATOM 0 H ALA A 48 15.253 -2.580 1.896 1.00 0.00 H new ATOM 0 HA ALA A 48 14.233 -3.477 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.830 -5.931 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 48 15.459 -5.574 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.165 -6.063 1.692 1.00 0.00 H new ATOM 66 N PHE A 49 12.078 -3.914 2.474 1.00 0.00 N ATOM 67 CA PHE A 49 10.619 -3.822 2.770 1.00 0.00 C ATOM 68 C PHE A 49 9.996 -2.701 1.931 1.00 0.00 C ATOM 69 O PHE A 49 8.908 -2.835 1.406 1.00 0.00 O ATOM 70 CB PHE A 49 10.419 -3.529 4.262 1.00 0.00 C ATOM 71 CG PHE A 49 8.956 -3.255 4.540 1.00 0.00 C ATOM 72 CD1 PHE A 49 7.989 -4.244 4.270 1.00 0.00 C ATOM 73 CD2 PHE A 49 8.558 -2.009 5.067 1.00 0.00 C ATOM 74 CE1 PHE A 49 6.628 -3.987 4.526 1.00 0.00 C ATOM 75 CE2 PHE A 49 7.198 -1.755 5.322 1.00 0.00 C ATOM 76 CZ PHE A 49 6.232 -2.743 5.051 1.00 0.00 C ATOM 0 H PHE A 49 12.686 -3.961 3.291 1.00 0.00 H new ATOM 0 HA PHE A 49 10.135 -4.766 2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.759 -4.377 4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.022 -2.670 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.292 -5.199 3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.297 -1.250 5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.888 -4.746 4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.894 -0.801 5.726 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.188 -2.546 5.246 1.00 0.00 H new ATOM 86 N LEU A 50 10.681 -1.599 1.795 1.00 0.00 N ATOM 87 CA LEU A 50 10.133 -0.472 0.985 1.00 0.00 C ATOM 88 C LEU A 50 10.403 -0.742 -0.495 1.00 0.00 C ATOM 89 O LEU A 50 9.501 -0.754 -1.309 1.00 0.00 O ATOM 90 CB LEU A 50 10.807 0.841 1.401 1.00 0.00 C ATOM 91 CG LEU A 50 10.848 0.949 2.932 1.00 0.00 C ATOM 92 CD1 LEU A 50 11.633 2.200 3.333 1.00 0.00 C ATOM 93 CD2 LEU A 50 9.420 1.050 3.478 1.00 0.00 C ATOM 0 H LEU A 50 11.597 -1.429 2.210 1.00 0.00 H new ATOM 0 HA LEU A 50 9.059 -0.389 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.819 0.883 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.262 1.687 0.983 1.00 0.00 H new ATOM 0 HG LEU A 50 11.333 0.064 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.663 2.278 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.650 2.131 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.146 3.083 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.451 1.127 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.934 1.934 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.858 0.161 3.193 1.00 0.00 H new ATOM 105 N ALA A 51 11.637 -0.970 -0.852 1.00 0.00 N ATOM 106 CA ALA A 51 11.958 -1.249 -2.279 1.00 0.00 C ATOM 107 C ALA A 51 11.104 -2.425 -2.760 1.00 0.00 C ATOM 108 O ALA A 51 10.914 -2.630 -3.944 1.00 0.00 O ATOM 109 CB ALA A 51 13.442 -1.603 -2.406 1.00 0.00 C ATOM 0 H ALA A 51 12.436 -0.975 -0.218 1.00 0.00 H new ATOM 0 HA ALA A 51 11.746 -0.369 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 51 13.679 -1.808 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 51 14.047 -0.767 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 51 13.658 -2.486 -1.805 1.00 0.00 H new ATOM 115 N LYS A 52 10.580 -3.194 -1.844 1.00 0.00 N ATOM 116 CA LYS A 52 9.732 -4.353 -2.238 1.00 0.00 C ATOM 117 C LYS A 52 8.341 -3.840 -2.615 1.00 0.00 C ATOM 118 O LYS A 52 7.773 -4.239 -3.612 1.00 0.00 O ATOM 119 CB LYS A 52 9.628 -5.338 -1.061 1.00 0.00 C ATOM 120 CG LYS A 52 10.859 -6.254 -1.038 1.00 0.00 C ATOM 121 CD LYS A 52 10.964 -6.953 0.324 1.00 0.00 C ATOM 122 CE LYS A 52 11.856 -8.192 0.204 1.00 0.00 C ATOM 123 NZ LYS A 52 13.001 -7.897 -0.703 1.00 0.00 N ATOM 0 H LYS A 52 10.703 -3.069 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 52 10.175 -4.868 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.554 -4.790 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.721 -5.935 -1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.786 -6.996 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.760 -5.671 -1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.376 -6.267 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.972 -7.240 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.224 -8.484 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.279 -9.032 -0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.989 -8.560 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.920 -6.923 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.894 -8.002 -0.180 1.00 0.00 H new ATOM 137 N LEU A 53 7.790 -2.948 -1.834 1.00 0.00 N ATOM 138 CA LEU A 53 6.441 -2.409 -2.166 1.00 0.00 C ATOM 139 C LEU A 53 6.450 -1.935 -3.622 1.00 0.00 C ATOM 140 O LEU A 53 5.475 -2.067 -4.335 1.00 0.00 O ATOM 141 CB LEU A 53 6.109 -1.230 -1.231 1.00 0.00 C ATOM 142 CG LEU A 53 5.508 -1.747 0.093 1.00 0.00 C ATOM 143 CD1 LEU A 53 5.733 -0.715 1.203 1.00 0.00 C ATOM 144 CD2 LEU A 53 3.998 -1.980 -0.069 1.00 0.00 C ATOM 0 H LEU A 53 8.214 -2.572 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 53 5.685 -3.183 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.011 -0.653 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.404 -0.557 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 53 5.997 -2.685 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.307 -1.085 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.802 -0.548 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.250 0.224 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.583 -2.345 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.512 -1.043 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.826 -2.718 -0.852 1.00 0.00 H new ATOM 156 N TRP A 54 7.550 -1.395 -4.069 1.00 0.00 N ATOM 157 CA TRP A 54 7.625 -0.925 -5.479 1.00 0.00 C ATOM 158 C TRP A 54 7.520 -2.136 -6.409 1.00 0.00 C ATOM 159 O TRP A 54 6.807 -2.115 -7.393 1.00 0.00 O ATOM 160 CB TRP A 54 8.958 -0.209 -5.710 1.00 0.00 C ATOM 161 CG TRP A 54 9.095 0.151 -7.156 1.00 0.00 C ATOM 162 CD1 TRP A 54 8.155 0.790 -7.893 1.00 0.00 C ATOM 163 CD2 TRP A 54 10.220 -0.093 -8.050 1.00 0.00 C ATOM 164 NE1 TRP A 54 8.629 0.953 -9.183 1.00 0.00 N ATOM 165 CE2 TRP A 54 9.897 0.427 -9.333 1.00 0.00 C ATOM 166 CE3 TRP A 54 11.481 -0.711 -7.877 1.00 0.00 C ATOM 167 CZ2 TRP A 54 10.793 0.338 -10.407 1.00 0.00 C ATOM 168 CZ3 TRP A 54 12.386 -0.803 -8.955 1.00 0.00 C ATOM 169 CH2 TRP A 54 12.042 -0.280 -10.218 1.00 0.00 C ATOM 0 H TRP A 54 8.398 -1.259 -3.519 1.00 0.00 H new ATOM 0 HA TRP A 54 6.809 -0.232 -5.684 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.010 0.690 -5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 54 9.784 -0.852 -5.406 1.00 0.00 H new ATOM 0 HD1 TRP A 54 7.192 1.119 -7.532 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.105 1.406 -9.932 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.752 -1.115 -6.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.526 0.741 -11.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 13.346 -1.276 -8.812 1.00 0.00 H new ATOM 0 HH2 TRP A 54 12.738 -0.354 -11.041 1.00 0.00 H new ATOM 180 N ARG A 55 8.218 -3.195 -6.098 1.00 0.00 N ATOM 181 CA ARG A 55 8.151 -4.411 -6.958 1.00 0.00 C ATOM 182 C ARG A 55 6.714 -4.953 -6.928 1.00 0.00 C ATOM 183 O ARG A 55 6.083 -5.121 -7.954 1.00 0.00 O ATOM 184 CB ARG A 55 9.137 -5.475 -6.418 1.00 0.00 C ATOM 185 CG ARG A 55 10.453 -5.458 -7.221 1.00 0.00 C ATOM 186 CD ARG A 55 11.216 -4.132 -6.995 1.00 0.00 C ATOM 187 NE ARG A 55 11.731 -3.610 -8.302 1.00 0.00 N ATOM 188 CZ ARG A 55 12.357 -4.390 -9.148 1.00 0.00 C ATOM 189 NH1 ARG A 55 12.648 -5.618 -8.823 1.00 0.00 N ATOM 190 NH2 ARG A 55 12.723 -3.923 -10.310 1.00 0.00 N ATOM 0 H ARG A 55 8.831 -3.270 -5.286 1.00 0.00 H new ATOM 0 HA ARG A 55 8.426 -4.167 -7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.345 -5.284 -5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.682 -6.463 -6.478 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.079 -6.299 -6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.239 -5.583 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.556 -3.397 -6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.045 -4.292 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 55 11.591 -2.627 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.388 -5.978 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.136 -6.219 -9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.521 -2.954 -10.557 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.211 -4.527 -10.972 1.00 0.00 H new ATOM 204 N LEU A 56 6.195 -5.225 -5.761 1.00 0.00 N ATOM 205 CA LEU A 56 4.803 -5.752 -5.664 1.00 0.00 C ATOM 206 C LEU A 56 3.850 -4.795 -6.384 1.00 0.00 C ATOM 207 O LEU A 56 3.028 -5.201 -7.181 1.00 0.00 O ATOM 208 CB LEU A 56 4.402 -5.859 -4.186 1.00 0.00 C ATOM 209 CG LEU A 56 3.058 -6.605 -4.047 1.00 0.00 C ATOM 210 CD1 LEU A 56 3.287 -8.121 -4.050 1.00 0.00 C ATOM 211 CD2 LEU A 56 2.386 -6.209 -2.726 1.00 0.00 C ATOM 0 H LEU A 56 6.676 -5.105 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 56 4.749 -6.737 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.177 -6.386 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.319 -4.863 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 56 2.421 -6.334 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.330 -8.634 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.762 -8.415 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.932 -8.393 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.437 -6.736 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.036 -6.475 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.207 -5.134 -2.717 1.00 0.00 H new ATOM 223 N VAL A 57 3.956 -3.525 -6.108 1.00 0.00 N ATOM 224 CA VAL A 57 3.060 -2.535 -6.770 1.00 0.00 C ATOM 225 C VAL A 57 3.217 -2.644 -8.293 1.00 0.00 C ATOM 226 O VAL A 57 2.536 -1.975 -9.045 1.00 0.00 O ATOM 227 CB VAL A 57 3.439 -1.123 -6.293 1.00 0.00 C ATOM 228 CG1 VAL A 57 2.816 -0.066 -7.213 1.00 0.00 C ATOM 229 CG2 VAL A 57 2.925 -0.917 -4.864 1.00 0.00 C ATOM 0 H VAL A 57 4.627 -3.128 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 57 2.021 -2.735 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 57 4.524 -1.019 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.092 0.929 -6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.181 -0.208 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.731 -0.167 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.192 0.083 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.841 -1.029 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.376 -1.658 -4.205 1.00 0.00 H new ATOM 239 N ASP A 58 4.107 -3.484 -8.756 1.00 0.00 N ATOM 240 CA ASP A 58 4.304 -3.633 -10.230 1.00 0.00 C ATOM 241 C ASP A 58 4.668 -5.084 -10.556 1.00 0.00 C ATOM 242 O ASP A 58 5.825 -5.453 -10.583 1.00 0.00 O ATOM 243 CB ASP A 58 5.437 -2.711 -10.686 1.00 0.00 C ATOM 244 CG ASP A 58 5.683 -2.904 -12.184 1.00 0.00 C ATOM 245 OD1 ASP A 58 4.777 -2.626 -12.953 1.00 0.00 O ATOM 246 OD2 ASP A 58 6.771 -3.326 -12.537 1.00 0.00 O ATOM 0 H ASP A 58 4.706 -4.073 -8.177 1.00 0.00 H new ATOM 0 HA ASP A 58 3.383 -3.366 -10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.179 -1.672 -10.480 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.346 -2.931 -10.126 1.00 0.00 H new ATOM 251 N ASP A 59 3.687 -5.910 -10.804 1.00 0.00 N ATOM 252 CA ASP A 59 3.975 -7.336 -11.130 1.00 0.00 C ATOM 253 C ASP A 59 2.672 -8.044 -11.508 1.00 0.00 C ATOM 254 O ASP A 59 1.606 -7.689 -11.046 1.00 0.00 O ATOM 255 CB ASP A 59 4.593 -8.024 -9.910 1.00 0.00 C ATOM 256 CG ASP A 59 3.730 -7.750 -8.677 1.00 0.00 C ATOM 257 OD1 ASP A 59 2.825 -6.939 -8.780 1.00 0.00 O ATOM 258 OD2 ASP A 59 3.989 -8.356 -7.650 1.00 0.00 O ATOM 0 H ASP A 59 2.699 -5.658 -10.795 1.00 0.00 H new ATOM 0 HA ASP A 59 4.672 -7.384 -11.966 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.667 -9.098 -10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.606 -7.657 -9.747 1.00 0.00 H new ATOM 263 N ALA A 60 2.748 -9.042 -12.346 1.00 0.00 N ATOM 264 CA ALA A 60 1.512 -9.770 -12.750 1.00 0.00 C ATOM 265 C ALA A 60 1.012 -10.613 -11.577 1.00 0.00 C ATOM 266 O ALA A 60 1.457 -10.462 -10.459 1.00 0.00 O ATOM 267 CB ALA A 60 1.819 -10.687 -13.935 1.00 0.00 C ATOM 0 H ALA A 60 3.611 -9.384 -12.768 1.00 0.00 H new ATOM 0 HA ALA A 60 0.747 -9.049 -13.037 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.913 -11.218 -14.228 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.177 -10.090 -14.774 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.585 -11.407 -13.649 1.00 0.00 H new ATOM 273 N ASP A 61 0.090 -11.502 -11.827 1.00 0.00 N ATOM 274 CA ASP A 61 -0.439 -12.358 -10.729 1.00 0.00 C ATOM 275 C ASP A 61 -0.993 -11.471 -9.610 1.00 0.00 C ATOM 276 O ASP A 61 -1.331 -11.939 -8.541 1.00 0.00 O ATOM 277 CB ASP A 61 0.687 -13.236 -10.176 1.00 0.00 C ATOM 278 CG ASP A 61 0.089 -14.362 -9.329 1.00 0.00 C ATOM 279 OD1 ASP A 61 -0.584 -15.208 -9.895 1.00 0.00 O ATOM 280 OD2 ASP A 61 0.316 -14.360 -8.131 1.00 0.00 O ATOM 0 H ASP A 61 -0.320 -11.672 -12.745 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.236 -12.993 -11.117 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.272 -13.654 -10.995 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.368 -12.635 -9.573 1.00 0.00 H new ATOM 285 N THR A 62 -1.088 -10.189 -9.851 1.00 0.00 N ATOM 286 CA THR A 62 -1.618 -9.253 -8.812 1.00 0.00 C ATOM 287 C THR A 62 -2.511 -8.207 -9.489 1.00 0.00 C ATOM 288 O THR A 62 -3.642 -8.482 -9.837 1.00 0.00 O ATOM 289 CB THR A 62 -0.441 -8.571 -8.107 1.00 0.00 C ATOM 290 OG1 THR A 62 0.328 -7.848 -9.057 1.00 0.00 O ATOM 291 CG2 THR A 62 0.441 -9.626 -7.435 1.00 0.00 C ATOM 0 H THR A 62 -0.819 -9.746 -10.730 1.00 0.00 H new ATOM 0 HA THR A 62 -2.206 -9.800 -8.075 1.00 0.00 H new ATOM 0 HB THR A 62 -0.824 -7.886 -7.351 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.762 -8.475 -9.672 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.277 -9.137 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.147 -10.179 -6.702 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.822 -10.315 -8.189 1.00 0.00 H new ATOM 299 N ASN A 63 -2.013 -7.017 -9.687 1.00 0.00 N ATOM 300 CA ASN A 63 -2.830 -5.960 -10.355 1.00 0.00 C ATOM 301 C ASN A 63 -4.189 -5.809 -9.658 1.00 0.00 C ATOM 302 O ASN A 63 -4.364 -4.968 -8.798 1.00 0.00 O ATOM 303 CB ASN A 63 -3.051 -6.337 -11.822 1.00 0.00 C ATOM 304 CG ASN A 63 -1.751 -6.140 -12.603 1.00 0.00 C ATOM 305 OD1 ASN A 63 -0.912 -7.020 -12.640 1.00 0.00 O ATOM 306 ND2 ASN A 63 -1.545 -5.016 -13.232 1.00 0.00 N ATOM 0 H ASN A 63 -1.073 -6.729 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.295 -5.012 -10.292 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.378 -7.374 -11.896 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.842 -5.722 -12.251 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.681 -4.875 -13.755 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.248 -4.278 -13.201 1.00 0.00 H new ATOM 313 N ARG A 64 -5.157 -6.602 -10.035 1.00 0.00 N ATOM 314 CA ARG A 64 -6.506 -6.488 -9.406 1.00 0.00 C ATOM 315 C ARG A 64 -6.373 -6.391 -7.885 1.00 0.00 C ATOM 316 O ARG A 64 -7.126 -5.701 -7.227 1.00 0.00 O ATOM 317 CB ARG A 64 -7.348 -7.708 -9.775 1.00 0.00 C ATOM 318 CG ARG A 64 -6.884 -8.940 -8.985 1.00 0.00 C ATOM 319 CD ARG A 64 -7.389 -10.198 -9.691 1.00 0.00 C ATOM 320 NE ARG A 64 -7.359 -11.366 -8.754 1.00 0.00 N ATOM 321 CZ ARG A 64 -6.262 -11.726 -8.142 1.00 0.00 C ATOM 322 NH1 ARG A 64 -5.117 -11.188 -8.464 1.00 0.00 N ATOM 323 NH2 ARG A 64 -6.303 -12.672 -7.244 1.00 0.00 N ATOM 0 H ARG A 64 -5.072 -7.323 -10.751 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.994 -5.586 -9.774 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.399 -7.509 -9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.268 -7.903 -10.844 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.796 -8.957 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.267 -8.900 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.405 -10.038 -10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.770 -10.407 -10.564 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.216 -11.894 -8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.074 -10.481 -9.198 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.265 -11.474 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.189 -13.127 -7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.449 -12.957 -6.764 1.00 0.00 H new ATOM 337 N LEU A 65 -5.426 -7.085 -7.322 1.00 0.00 N ATOM 338 CA LEU A 65 -5.250 -7.040 -5.846 1.00 0.00 C ATOM 339 C LEU A 65 -4.513 -5.755 -5.467 1.00 0.00 C ATOM 340 O LEU A 65 -4.623 -5.266 -4.361 1.00 0.00 O ATOM 341 CB LEU A 65 -4.417 -8.245 -5.398 1.00 0.00 C ATOM 342 CG LEU A 65 -5.173 -9.553 -5.677 1.00 0.00 C ATOM 343 CD1 LEU A 65 -4.245 -10.740 -5.402 1.00 0.00 C ATOM 344 CD2 LEU A 65 -6.424 -9.653 -4.782 1.00 0.00 C ATOM 0 H LEU A 65 -4.766 -7.682 -7.821 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.225 -7.065 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.462 -8.250 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.195 -8.166 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.490 -9.566 -6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.777 -11.671 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.372 -10.677 -6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.925 -10.718 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.948 -10.585 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.124 -9.633 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.085 -8.811 -4.986 1.00 0.00 H new ATOM 356 N ILE A 66 -3.758 -5.207 -6.379 1.00 0.00 N ATOM 357 CA ILE A 66 -3.002 -3.957 -6.078 1.00 0.00 C ATOM 358 C ILE A 66 -2.751 -3.192 -7.380 1.00 0.00 C ATOM 359 O ILE A 66 -2.242 -3.736 -8.339 1.00 0.00 O ATOM 360 CB ILE A 66 -1.664 -4.336 -5.439 1.00 0.00 C ATOM 361 CG1 ILE A 66 -0.931 -3.066 -4.991 1.00 0.00 C ATOM 362 CG2 ILE A 66 -0.810 -5.114 -6.456 1.00 0.00 C ATOM 363 CD1 ILE A 66 0.316 -3.452 -4.191 1.00 0.00 C ATOM 0 H ILE A 66 -3.631 -5.572 -7.323 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.573 -3.327 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.840 -4.968 -4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.649 -2.470 -5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.591 -2.448 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.143 -5.384 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.337 -6.019 -6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.630 -4.491 -7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.838 -2.550 -3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.022 -4.030 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.978 -4.052 -4.816 1.00 0.00 H new ATOM 375 N CYS A 67 -3.108 -1.935 -7.425 1.00 0.00 N ATOM 376 CA CYS A 67 -2.893 -1.137 -8.671 1.00 0.00 C ATOM 377 C CYS A 67 -2.586 0.316 -8.304 1.00 0.00 C ATOM 378 O CYS A 67 -2.679 0.711 -7.159 1.00 0.00 O ATOM 379 CB CYS A 67 -4.158 -1.187 -9.530 1.00 0.00 C ATOM 380 SG CYS A 67 -3.820 -0.448 -11.146 1.00 0.00 S ATOM 0 H CYS A 67 -3.539 -1.426 -6.654 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.054 -1.555 -9.228 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.487 -2.219 -9.652 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.968 -0.651 -9.035 1.00 0.00 H new ATOM 0 HG CYS A 67 -4.894 -0.493 -11.877 1.00 0.00 H new ATOM 386 N TRP A 68 -2.220 1.114 -9.271 1.00 0.00 N ATOM 387 CA TRP A 68 -1.902 2.544 -8.988 1.00 0.00 C ATOM 388 C TRP A 68 -3.191 3.372 -9.020 1.00 0.00 C ATOM 389 O TRP A 68 -4.161 3.005 -9.651 1.00 0.00 O ATOM 390 CB TRP A 68 -0.937 3.071 -10.057 1.00 0.00 C ATOM 391 CG TRP A 68 0.441 2.552 -9.798 1.00 0.00 C ATOM 392 CD1 TRP A 68 0.937 1.386 -10.274 1.00 0.00 C ATOM 393 CD2 TRP A 68 1.508 3.162 -9.013 1.00 0.00 C ATOM 394 NE1 TRP A 68 2.240 1.239 -9.833 1.00 0.00 N ATOM 395 CE2 TRP A 68 2.639 2.304 -9.051 1.00 0.00 C ATOM 396 CE3 TRP A 68 1.604 4.364 -8.276 1.00 0.00 C ATOM 397 CZ2 TRP A 68 3.827 2.629 -8.381 1.00 0.00 C ATOM 398 CZ3 TRP A 68 2.798 4.695 -7.599 1.00 0.00 C ATOM 399 CH2 TRP A 68 3.907 3.828 -7.653 1.00 0.00 C ATOM 0 H TRP A 68 -2.127 0.836 -10.248 1.00 0.00 H new ATOM 0 HA TRP A 68 -1.441 2.625 -8.004 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.272 2.761 -11.047 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.932 4.161 -10.049 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.402 0.684 -10.897 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.834 0.441 -10.058 1.00 0.00 H new ATOM 0 HE3 TRP A 68 0.758 5.034 -8.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 4.675 1.962 -8.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.861 5.616 -7.038 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.819 4.085 -7.135 1.00 0.00 H new ATOM 410 N THR A 69 -3.199 4.494 -8.354 1.00 0.00 N ATOM 411 CA THR A 69 -4.416 5.356 -8.355 1.00 0.00 C ATOM 412 C THR A 69 -4.454 6.159 -9.652 1.00 0.00 C ATOM 413 O THR A 69 -4.311 5.624 -10.733 1.00 0.00 O ATOM 414 CB THR A 69 -4.367 6.312 -7.157 1.00 0.00 C ATOM 415 OG1 THR A 69 -3.191 7.105 -7.234 1.00 0.00 O ATOM 416 CG2 THR A 69 -4.360 5.507 -5.858 1.00 0.00 C ATOM 0 H THR A 69 -2.415 4.852 -7.809 1.00 0.00 H new ATOM 0 HA THR A 69 -5.309 4.736 -8.281 1.00 0.00 H new ATOM 0 HB THR A 69 -5.243 6.960 -7.173 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.414 6.564 -6.980 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.325 6.188 -5.008 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.264 4.901 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.486 4.857 -5.838 1.00 0.00 H new ATOM 424 N LYS A 70 -4.644 7.439 -9.549 1.00 0.00 N ATOM 425 CA LYS A 70 -4.690 8.292 -10.770 1.00 0.00 C ATOM 426 C LYS A 70 -3.285 8.398 -11.376 1.00 0.00 C ATOM 427 O LYS A 70 -2.940 9.392 -11.982 1.00 0.00 O ATOM 428 CB LYS A 70 -5.189 9.692 -10.395 1.00 0.00 C ATOM 429 CG LYS A 70 -6.706 9.663 -10.175 1.00 0.00 C ATOM 430 CD LYS A 70 -7.042 8.786 -8.961 1.00 0.00 C ATOM 431 CE LYS A 70 -8.448 9.123 -8.457 1.00 0.00 C ATOM 432 NZ LYS A 70 -8.452 10.495 -7.874 1.00 0.00 N ATOM 0 H LYS A 70 -4.771 7.938 -8.668 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.367 7.845 -11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.688 10.036 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.941 10.400 -11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.079 10.675 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.204 9.275 -11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.986 7.732 -9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.312 8.949 -8.168 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.164 9.063 -9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.761 8.397 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.751 10.449 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.495 10.899 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.113 11.096 -8.406 1.00 0.00 H new ATOM 446 N ASP A 71 -2.475 7.377 -11.214 1.00 0.00 N ATOM 447 CA ASP A 71 -1.087 7.397 -11.773 1.00 0.00 C ATOM 448 C ASP A 71 -0.453 8.776 -11.573 1.00 0.00 C ATOM 449 O ASP A 71 -0.591 9.659 -12.397 1.00 0.00 O ATOM 450 CB ASP A 71 -1.126 7.058 -13.267 1.00 0.00 C ATOM 451 CG ASP A 71 -1.947 8.108 -14.017 1.00 0.00 C ATOM 452 OD1 ASP A 71 -3.163 8.024 -13.973 1.00 0.00 O ATOM 453 OD2 ASP A 71 -1.344 8.979 -14.623 1.00 0.00 O ATOM 0 H ASP A 71 -2.720 6.523 -10.713 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.486 6.654 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.113 7.022 -13.667 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.562 6.070 -13.413 1.00 0.00 H new ATOM 458 N GLY A 72 0.244 8.969 -10.486 1.00 0.00 N ATOM 459 CA GLY A 72 0.885 10.291 -10.241 1.00 0.00 C ATOM 460 C GLY A 72 1.754 10.220 -8.984 1.00 0.00 C ATOM 461 O GLY A 72 2.967 10.209 -9.057 1.00 0.00 O ATOM 0 H GLY A 72 0.397 8.270 -9.759 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.494 10.575 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.121 11.060 -10.123 1.00 0.00 H new ATOM 465 N GLN A 73 1.143 10.182 -7.830 1.00 0.00 N ATOM 466 CA GLN A 73 1.934 10.121 -6.564 1.00 0.00 C ATOM 467 C GLN A 73 1.136 9.382 -5.487 1.00 0.00 C ATOM 468 O GLN A 73 0.938 9.890 -4.402 1.00 0.00 O ATOM 469 CB GLN A 73 2.229 11.545 -6.089 1.00 0.00 C ATOM 470 CG GLN A 73 0.935 12.361 -6.076 1.00 0.00 C ATOM 471 CD GLN A 73 1.235 13.787 -5.612 1.00 0.00 C ATOM 472 OE1 GLN A 73 2.371 14.043 -5.024 1.00 0.00 O flip ATOM 473 NE2 GLN A 73 0.427 14.678 -5.785 1.00 0.00 N flip ATOM 0 H GLN A 73 0.130 10.191 -7.708 1.00 0.00 H new ATOM 0 HA GLN A 73 2.868 9.589 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.667 11.523 -5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.960 12.014 -6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.493 12.377 -7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.207 11.897 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.461 14.479 -6.245 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.637 15.625 -5.471 1.00 0.00 H new ATOM 482 N SER A 74 0.690 8.185 -5.766 1.00 0.00 N ATOM 483 CA SER A 74 -0.083 7.421 -4.739 1.00 0.00 C ATOM 484 C SER A 74 -0.514 6.065 -5.313 1.00 0.00 C ATOM 485 O SER A 74 -0.604 5.889 -6.513 1.00 0.00 O ATOM 486 CB SER A 74 -1.325 8.224 -4.334 1.00 0.00 C ATOM 487 OG SER A 74 -1.884 8.840 -5.487 1.00 0.00 O ATOM 0 H SER A 74 0.826 7.704 -6.655 1.00 0.00 H new ATOM 0 HA SER A 74 0.547 7.256 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.059 7.568 -3.866 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.058 8.981 -3.597 1.00 0.00 H new ATOM 0 HG SER A 74 -2.334 8.163 -6.034 1.00 0.00 H new ATOM 493 N PHE A 75 -0.787 5.106 -4.457 1.00 0.00 N ATOM 494 CA PHE A 75 -1.222 3.752 -4.930 1.00 0.00 C ATOM 495 C PHE A 75 -2.435 3.300 -4.110 1.00 0.00 C ATOM 496 O PHE A 75 -2.831 3.954 -3.166 1.00 0.00 O ATOM 497 CB PHE A 75 -0.075 2.752 -4.752 1.00 0.00 C ATOM 498 CG PHE A 75 0.209 2.551 -3.281 1.00 0.00 C ATOM 499 CD1 PHE A 75 1.072 3.432 -2.602 1.00 0.00 C ATOM 500 CD2 PHE A 75 -0.387 1.478 -2.591 1.00 0.00 C ATOM 501 CE1 PHE A 75 1.338 3.240 -1.233 1.00 0.00 C ATOM 502 CE2 PHE A 75 -0.120 1.286 -1.221 1.00 0.00 C ATOM 503 CZ PHE A 75 0.742 2.168 -0.542 1.00 0.00 C ATOM 0 H PHE A 75 -0.726 5.205 -3.444 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.492 3.800 -5.985 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.336 1.800 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.819 3.117 -5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.530 4.255 -3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.049 0.802 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.000 3.916 -0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.576 0.463 -0.692 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.946 2.022 0.509 1.00 0.00 H new ATOM 513 N VAL A 76 -3.039 2.193 -4.465 1.00 0.00 N ATOM 514 CA VAL A 76 -4.236 1.717 -3.702 1.00 0.00 C ATOM 515 C VAL A 76 -4.320 0.189 -3.755 1.00 0.00 C ATOM 516 O VAL A 76 -3.682 -0.455 -4.564 1.00 0.00 O ATOM 517 CB VAL A 76 -5.502 2.327 -4.321 1.00 0.00 C ATOM 518 CG1 VAL A 76 -5.490 2.119 -5.837 1.00 0.00 C ATOM 519 CG2 VAL A 76 -6.755 1.665 -3.735 1.00 0.00 C ATOM 0 H VAL A 76 -2.757 1.600 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.148 2.028 -2.661 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.519 3.393 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.390 2.554 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.611 2.603 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.460 1.052 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.644 2.108 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.735 0.596 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.777 1.820 -2.656 1.00 0.00 H new ATOM 529 N ILE A 77 -5.123 -0.383 -2.893 1.00 0.00 N ATOM 530 CA ILE A 77 -5.299 -1.871 -2.858 1.00 0.00 C ATOM 531 C ILE A 77 -6.796 -2.178 -2.986 1.00 0.00 C ATOM 532 O ILE A 77 -7.477 -2.468 -2.024 1.00 0.00 O ATOM 533 CB ILE A 77 -4.734 -2.418 -1.530 1.00 0.00 C ATOM 534 CG1 ILE A 77 -3.191 -2.352 -1.573 1.00 0.00 C ATOM 535 CG2 ILE A 77 -5.192 -3.879 -1.313 1.00 0.00 C ATOM 536 CD1 ILE A 77 -2.617 -2.310 -0.147 1.00 0.00 C ATOM 0 H ILE A 77 -5.673 0.125 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.763 -2.348 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.106 -1.813 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.798 -3.219 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.874 -1.468 -2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.786 -4.252 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.281 -3.918 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.832 -4.499 -2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.529 -2.264 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.996 -1.429 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.919 -3.207 0.393 1.00 0.00 H new ATOM 548 N GLN A 78 -7.311 -2.086 -4.184 1.00 0.00 N ATOM 549 CA GLN A 78 -8.765 -2.336 -4.422 1.00 0.00 C ATOM 550 C GLN A 78 -9.273 -3.518 -3.592 1.00 0.00 C ATOM 551 O GLN A 78 -10.067 -3.355 -2.688 1.00 0.00 O ATOM 552 CB GLN A 78 -8.985 -2.632 -5.907 1.00 0.00 C ATOM 553 CG GLN A 78 -8.531 -1.432 -6.741 1.00 0.00 C ATOM 554 CD GLN A 78 -8.756 -1.725 -8.225 1.00 0.00 C ATOM 555 OE1 GLN A 78 -9.427 -0.978 -8.909 1.00 0.00 O ATOM 556 NE2 GLN A 78 -8.220 -2.790 -8.756 1.00 0.00 N ATOM 0 H GLN A 78 -6.779 -1.845 -5.020 1.00 0.00 H new ATOM 0 HA GLN A 78 -9.319 -1.447 -4.122 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.427 -3.522 -6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.038 -2.841 -6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.086 -0.541 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.477 -1.226 -6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.657 -3.417 -8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.365 -2.995 -9.745 1.00 0.00 H new ATOM 565 N ASN A 79 -8.847 -4.709 -3.905 1.00 0.00 N ATOM 566 CA ASN A 79 -9.337 -5.895 -3.147 1.00 0.00 C ATOM 567 C ASN A 79 -8.598 -6.021 -1.814 1.00 0.00 C ATOM 568 O ASN A 79 -7.467 -5.601 -1.675 1.00 0.00 O ATOM 569 CB ASN A 79 -9.100 -7.158 -3.976 1.00 0.00 C ATOM 570 CG ASN A 79 -9.916 -8.314 -3.395 1.00 0.00 C ATOM 571 OD1 ASN A 79 -10.488 -8.194 -2.330 1.00 0.00 O ATOM 572 ND2 ASN A 79 -9.995 -9.437 -4.054 1.00 0.00 N ATOM 0 H ASN A 79 -8.182 -4.913 -4.651 1.00 0.00 H new ATOM 0 HA ASN A 79 -10.402 -5.771 -2.950 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.386 -6.983 -5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.040 -7.412 -3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.537 -10.214 -3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.515 -9.538 -4.948 1.00 0.00 H new ATOM 579 N GLN A 80 -9.239 -6.610 -0.836 1.00 0.00 N ATOM 580 CA GLN A 80 -8.609 -6.793 0.508 1.00 0.00 C ATOM 581 C GLN A 80 -8.708 -8.271 0.897 1.00 0.00 C ATOM 582 O GLN A 80 -8.211 -8.690 1.923 1.00 0.00 O ATOM 583 CB GLN A 80 -9.361 -5.943 1.540 1.00 0.00 C ATOM 584 CG GLN A 80 -8.916 -4.479 1.430 1.00 0.00 C ATOM 585 CD GLN A 80 -7.571 -4.299 2.137 1.00 0.00 C ATOM 586 OE1 GLN A 80 -6.532 -4.311 1.507 1.00 0.00 O ATOM 587 NE2 GLN A 80 -7.548 -4.132 3.431 1.00 0.00 N ATOM 0 H GLN A 80 -10.187 -6.978 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.564 -6.484 0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.436 -6.020 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.166 -6.318 2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.829 -4.192 0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.665 -3.826 1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.420 -4.122 3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.658 -4.011 3.914 1.00 0.00 H new ATOM 596 N ALA A 81 -9.358 -9.060 0.083 1.00 0.00 N ATOM 597 CA ALA A 81 -9.507 -10.508 0.397 1.00 0.00 C ATOM 598 C ALA A 81 -8.265 -11.276 -0.065 1.00 0.00 C ATOM 599 O ALA A 81 -7.336 -11.480 0.691 1.00 0.00 O ATOM 600 CB ALA A 81 -10.740 -11.059 -0.322 1.00 0.00 C ATOM 0 H ALA A 81 -9.793 -8.761 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.622 -10.629 1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.851 -12.119 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.627 -10.521 0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.622 -10.930 -1.398 1.00 0.00 H new ATOM 606 N GLN A 82 -8.245 -11.713 -1.294 1.00 0.00 N ATOM 607 CA GLN A 82 -7.065 -12.480 -1.790 1.00 0.00 C ATOM 608 C GLN A 82 -5.850 -11.548 -1.891 1.00 0.00 C ATOM 609 O GLN A 82 -4.806 -11.931 -2.380 1.00 0.00 O ATOM 610 CB GLN A 82 -7.378 -13.132 -3.163 1.00 0.00 C ATOM 611 CG GLN A 82 -8.724 -12.635 -3.698 1.00 0.00 C ATOM 612 CD GLN A 82 -9.005 -13.300 -5.045 1.00 0.00 C ATOM 613 OE1 GLN A 82 -8.275 -14.317 -5.417 1.00 0.00 O flip ATOM 614 NE2 GLN A 82 -9.894 -12.893 -5.766 1.00 0.00 N flip ATOM 0 H GLN A 82 -8.991 -11.573 -1.975 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.836 -13.279 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.587 -12.894 -3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.399 -14.217 -3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.519 -12.869 -2.990 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.706 -11.551 -3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.464 -12.099 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -10.071 -13.346 -6.663 1.00 0.00 H new ATOM 623 N PHE A 83 -5.967 -10.338 -1.416 1.00 0.00 N ATOM 624 CA PHE A 83 -4.803 -9.413 -1.476 1.00 0.00 C ATOM 625 C PHE A 83 -3.777 -9.862 -0.429 1.00 0.00 C ATOM 626 O PHE A 83 -2.752 -9.240 -0.231 1.00 0.00 O ATOM 627 CB PHE A 83 -5.274 -7.969 -1.207 1.00 0.00 C ATOM 628 CG PHE A 83 -4.102 -7.107 -0.789 1.00 0.00 C ATOM 629 CD1 PHE A 83 -3.280 -6.496 -1.756 1.00 0.00 C ATOM 630 CD2 PHE A 83 -3.818 -6.946 0.577 1.00 0.00 C ATOM 631 CE1 PHE A 83 -2.174 -5.724 -1.350 1.00 0.00 C ATOM 632 CE2 PHE A 83 -2.717 -6.171 0.985 1.00 0.00 C ATOM 633 CZ PHE A 83 -1.892 -5.561 0.021 1.00 0.00 C ATOM 0 H PHE A 83 -6.811 -9.953 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.343 -9.437 -2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.737 -7.557 -2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.034 -7.966 -0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.497 -6.619 -2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.447 -7.419 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.542 -5.257 -2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.505 -6.044 2.036 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.044 -4.969 0.332 1.00 0.00 H new ATOM 643 N ALA A 84 -4.040 -10.950 0.236 1.00 0.00 N ATOM 644 CA ALA A 84 -3.079 -11.452 1.257 1.00 0.00 C ATOM 645 C ALA A 84 -3.134 -12.974 1.279 1.00 0.00 C ATOM 646 O ALA A 84 -2.122 -13.640 1.289 1.00 0.00 O ATOM 647 CB ALA A 84 -3.457 -10.903 2.634 1.00 0.00 C ATOM 0 H ALA A 84 -4.881 -11.515 0.117 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.070 -11.122 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.752 -11.272 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.425 -9.814 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.464 -11.232 2.893 1.00 0.00 H new ATOM 653 N LYS A 85 -4.311 -13.529 1.277 1.00 0.00 N ATOM 654 CA LYS A 85 -4.437 -15.010 1.292 1.00 0.00 C ATOM 655 C LYS A 85 -3.516 -15.623 0.228 1.00 0.00 C ATOM 656 O LYS A 85 -3.314 -16.820 0.194 1.00 0.00 O ATOM 657 CB LYS A 85 -5.897 -15.393 1.002 1.00 0.00 C ATOM 658 CG LYS A 85 -6.191 -16.810 1.539 1.00 0.00 C ATOM 659 CD LYS A 85 -7.326 -17.464 0.729 1.00 0.00 C ATOM 660 CE LYS A 85 -6.766 -18.096 -0.551 1.00 0.00 C ATOM 661 NZ LYS A 85 -7.831 -18.901 -1.212 1.00 0.00 N ATOM 0 H LYS A 85 -5.194 -13.019 1.266 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.146 -15.392 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.569 -14.673 1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.084 -15.356 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.292 -17.423 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.470 -16.757 2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.822 -18.225 1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.079 -16.718 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.409 -17.319 -1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.911 -18.729 -0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.453 -19.330 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.151 -19.651 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.634 -18.285 -1.452 1.00 0.00 H new ATOM 675 N GLU A 86 -2.959 -14.816 -0.646 1.00 0.00 N ATOM 676 CA GLU A 86 -2.061 -15.369 -1.710 1.00 0.00 C ATOM 677 C GLU A 86 -0.913 -14.393 -2.022 1.00 0.00 C ATOM 678 O GLU A 86 -0.158 -14.618 -2.946 1.00 0.00 O ATOM 679 CB GLU A 86 -2.879 -15.602 -2.991 1.00 0.00 C ATOM 680 CG GLU A 86 -3.702 -16.888 -2.867 1.00 0.00 C ATOM 681 CD GLU A 86 -2.768 -18.100 -2.889 1.00 0.00 C ATOM 682 OE1 GLU A 86 -1.585 -17.908 -3.120 1.00 0.00 O ATOM 683 OE2 GLU A 86 -3.251 -19.200 -2.677 1.00 0.00 O ATOM 0 H GLU A 86 -3.087 -13.804 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.637 -16.307 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.541 -14.754 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.211 -15.670 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.277 -16.876 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.418 -16.954 -3.686 1.00 0.00 H new ATOM 690 N LEU A 87 -0.773 -13.310 -1.282 1.00 0.00 N ATOM 691 CA LEU A 87 0.335 -12.331 -1.576 1.00 0.00 C ATOM 692 C LEU A 87 1.356 -12.274 -0.430 1.00 0.00 C ATOM 693 O LEU A 87 2.546 -12.292 -0.673 1.00 0.00 O ATOM 694 CB LEU A 87 -0.244 -10.923 -1.790 1.00 0.00 C ATOM 695 CG LEU A 87 -1.263 -10.899 -2.944 1.00 0.00 C ATOM 696 CD1 LEU A 87 -1.585 -9.441 -3.286 1.00 0.00 C ATOM 697 CD2 LEU A 87 -0.688 -11.590 -4.193 1.00 0.00 C ATOM 0 H LEU A 87 -1.372 -13.063 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 87 0.839 -12.673 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.724 -10.583 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.565 -10.225 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.163 -11.430 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.306 -9.410 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.006 -8.946 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.672 -8.928 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.424 -11.562 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.216 -11.072 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.448 -12.627 -3.957 1.00 0.00 H new ATOM 709 N LEU A 88 0.938 -12.180 0.808 1.00 0.00 N ATOM 710 CA LEU A 88 1.960 -12.096 1.898 1.00 0.00 C ATOM 711 C LEU A 88 2.629 -13.467 2.166 1.00 0.00 C ATOM 712 O LEU A 88 3.806 -13.498 2.460 1.00 0.00 O ATOM 713 CB LEU A 88 1.357 -11.553 3.211 1.00 0.00 C ATOM 714 CG LEU A 88 0.432 -10.352 2.957 1.00 0.00 C ATOM 715 CD1 LEU A 88 0.199 -9.602 4.275 1.00 0.00 C ATOM 716 CD2 LEU A 88 1.064 -9.392 1.946 1.00 0.00 C ATOM 0 H LEU A 88 -0.037 -12.158 1.107 1.00 0.00 H new ATOM 0 HA LEU A 88 2.720 -11.398 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.797 -12.345 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.160 -11.257 3.886 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.514 -10.719 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.457 -8.750 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.265 -10.273 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.153 -9.250 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.395 -8.548 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.016 -9.029 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.232 -9.914 1.004 1.00 0.00 H new ATOM 728 N PRO A 89 1.892 -14.565 2.091 1.00 0.00 N ATOM 729 CA PRO A 89 2.481 -15.894 2.366 1.00 0.00 C ATOM 730 C PRO A 89 3.529 -16.249 1.298 1.00 0.00 C ATOM 731 O PRO A 89 4.076 -17.334 1.297 1.00 0.00 O ATOM 732 CB PRO A 89 1.284 -16.876 2.339 1.00 0.00 C ATOM 733 CG PRO A 89 0.005 -16.040 2.049 1.00 0.00 C ATOM 734 CD PRO A 89 0.456 -14.595 1.742 1.00 0.00 C ATOM 0 HA PRO A 89 3.003 -15.929 3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.428 -17.636 1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.194 -17.398 3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.543 -16.458 1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.668 -16.058 2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.299 -14.346 0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.109 -13.871 2.329 1.00 0.00 H new ATOM 742 N LEU A 90 3.812 -15.345 0.395 1.00 0.00 N ATOM 743 CA LEU A 90 4.824 -15.625 -0.672 1.00 0.00 C ATOM 744 C LEU A 90 5.694 -14.386 -0.883 1.00 0.00 C ATOM 745 O LEU A 90 6.296 -14.206 -1.923 1.00 0.00 O ATOM 746 CB LEU A 90 4.109 -15.979 -1.984 1.00 0.00 C ATOM 747 CG LEU A 90 3.165 -17.191 -1.769 1.00 0.00 C ATOM 748 CD1 LEU A 90 1.744 -16.709 -1.440 1.00 0.00 C ATOM 749 CD2 LEU A 90 3.116 -18.050 -3.043 1.00 0.00 C ATOM 0 H LEU A 90 3.384 -14.420 0.350 1.00 0.00 H new ATOM 0 HA LEU A 90 5.450 -16.463 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.537 -15.121 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.843 -16.213 -2.755 1.00 0.00 H new ATOM 0 HG LEU A 90 3.549 -17.783 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.093 -17.570 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.765 -16.109 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.365 -16.105 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.451 -18.899 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.745 -17.449 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.117 -18.412 -3.276 1.00 0.00 H new ATOM 761 N ASN A 91 5.771 -13.531 0.102 1.00 0.00 N ATOM 762 CA ASN A 91 6.606 -12.302 -0.029 1.00 0.00 C ATOM 763 C ASN A 91 7.121 -11.896 1.353 1.00 0.00 C ATOM 764 O ASN A 91 8.244 -12.179 1.718 1.00 0.00 O ATOM 765 CB ASN A 91 5.759 -11.168 -0.612 1.00 0.00 C ATOM 766 CG ASN A 91 5.333 -11.532 -2.035 1.00 0.00 C ATOM 767 OD1 ASN A 91 6.234 -11.926 -2.892 1.00 0.00 O flip ATOM 768 ND2 ASN A 91 4.168 -11.456 -2.371 1.00 0.00 N flip ATOM 0 H ASN A 91 5.289 -13.632 0.995 1.00 0.00 H new ATOM 0 HA ASN A 91 7.449 -12.500 -0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.880 -10.999 0.010 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.329 -10.239 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.463 -11.148 -1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.895 -11.700 -3.323 1.00 0.00 H new ATOM 775 N TYR A 92 6.300 -11.235 2.127 1.00 0.00 N ATOM 776 CA TYR A 92 6.722 -10.804 3.497 1.00 0.00 C ATOM 777 C TYR A 92 6.172 -11.793 4.523 1.00 0.00 C ATOM 778 O TYR A 92 6.225 -11.555 5.708 1.00 0.00 O ATOM 779 CB TYR A 92 6.181 -9.391 3.775 1.00 0.00 C ATOM 780 CG TYR A 92 6.138 -8.604 2.484 1.00 0.00 C ATOM 781 CD1 TYR A 92 7.219 -8.668 1.582 1.00 0.00 C ATOM 782 CD2 TYR A 92 5.011 -7.815 2.175 1.00 0.00 C ATOM 783 CE1 TYR A 92 7.174 -7.943 0.376 1.00 0.00 C ATOM 784 CE2 TYR A 92 4.969 -7.090 0.969 1.00 0.00 C ATOM 785 CZ TYR A 92 6.049 -7.155 0.070 1.00 0.00 C ATOM 786 OH TYR A 92 6.006 -6.444 -1.113 1.00 0.00 O ATOM 0 H TYR A 92 5.349 -10.973 1.869 1.00 0.00 H new ATOM 0 HA TYR A 92 7.810 -10.786 3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.183 -9.451 4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.816 -8.884 4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.082 -9.273 1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.180 -7.767 2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.003 -7.992 -0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 92 4.107 -6.483 0.734 1.00 0.00 H new ATOM 0 HH TYR A 92 5.159 -5.954 -1.169 1.00 0.00 H new ATOM 796 N LYS A 93 5.654 -12.902 4.064 1.00 0.00 N ATOM 797 CA LYS A 93 5.094 -13.933 4.987 1.00 0.00 C ATOM 798 C LYS A 93 3.727 -13.466 5.514 1.00 0.00 C ATOM 799 O LYS A 93 2.815 -13.250 4.748 1.00 0.00 O ATOM 800 CB LYS A 93 6.077 -14.202 6.148 1.00 0.00 C ATOM 801 CG LYS A 93 5.833 -15.614 6.752 1.00 0.00 C ATOM 802 CD LYS A 93 6.881 -16.616 6.240 1.00 0.00 C ATOM 803 CE LYS A 93 6.696 -16.842 4.738 1.00 0.00 C ATOM 804 NZ LYS A 93 7.549 -17.984 4.300 1.00 0.00 N ATOM 0 H LYS A 93 5.595 -13.140 3.074 1.00 0.00 H new ATOM 0 HA LYS A 93 4.954 -14.868 4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.103 -14.126 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.953 -13.443 6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.875 -15.561 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.834 -15.960 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.884 -16.239 6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.784 -17.562 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.649 -17.050 4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.965 -15.941 4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.424 -18.139 3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.547 -17.768 4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.272 -18.843 4.817 1.00 0.00 H new ATOM 818 N HIS A 94 3.562 -13.332 6.802 1.00 0.00 N ATOM 819 CA HIS A 94 2.237 -12.907 7.350 1.00 0.00 C ATOM 820 C HIS A 94 1.133 -13.767 6.720 1.00 0.00 C ATOM 821 O HIS A 94 1.387 -14.644 5.918 1.00 0.00 O ATOM 822 CB HIS A 94 1.925 -11.427 7.028 1.00 0.00 C ATOM 823 CG HIS A 94 3.159 -10.568 6.985 1.00 0.00 C ATOM 824 ND1 HIS A 94 3.114 -9.296 6.441 1.00 0.00 N ATOM 825 CD2 HIS A 94 4.456 -10.747 7.407 1.00 0.00 C ATOM 826 CE1 HIS A 94 4.337 -8.762 6.545 1.00 0.00 C ATOM 827 NE2 HIS A 94 5.198 -9.601 7.128 1.00 0.00 N ATOM 0 H HIS A 94 4.286 -13.498 7.501 1.00 0.00 H new ATOM 0 HA HIS A 94 2.276 -13.031 8.432 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.414 -11.369 6.067 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.239 -11.033 7.778 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.840 -11.638 7.881 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.597 -7.772 6.199 1.00 0.00 H new ATOM 0 HE2 HIS A 94 6.185 -9.438 7.326 1.00 0.00 H new ATOM 835 N ASN A 95 -0.096 -13.496 7.061 1.00 0.00 N ATOM 836 CA ASN A 95 -1.225 -14.258 6.461 1.00 0.00 C ATOM 837 C ASN A 95 -2.481 -13.386 6.488 1.00 0.00 C ATOM 838 O ASN A 95 -3.118 -13.159 5.479 1.00 0.00 O ATOM 839 CB ASN A 95 -1.465 -15.547 7.250 1.00 0.00 C ATOM 840 CG ASN A 95 -1.904 -15.199 8.673 1.00 0.00 C ATOM 841 OD1 ASN A 95 -3.067 -14.948 8.919 1.00 0.00 O ATOM 842 ND2 ASN A 95 -1.015 -15.173 9.628 1.00 0.00 N ATOM 0 H ASN A 95 -0.367 -12.777 7.732 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.984 -14.522 5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.229 -16.150 6.759 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.554 -16.146 7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.297 -14.942 10.581 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.039 -15.384 9.422 1.00 0.00 H new ATOM 849 N ASN A 96 -2.839 -12.896 7.645 1.00 0.00 N ATOM 850 CA ASN A 96 -4.051 -12.037 7.757 1.00 0.00 C ATOM 851 C ASN A 96 -3.927 -10.850 6.804 1.00 0.00 C ATOM 852 O ASN A 96 -3.092 -10.832 5.921 1.00 0.00 O ATOM 853 CB ASN A 96 -4.178 -11.525 9.193 1.00 0.00 C ATOM 854 CG ASN A 96 -4.471 -12.698 10.130 1.00 0.00 C ATOM 855 OD1 ASN A 96 -5.405 -13.444 9.913 1.00 0.00 O ATOM 856 ND2 ASN A 96 -3.707 -12.893 11.170 1.00 0.00 N ATOM 0 H ASN A 96 -2.341 -13.055 8.521 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.935 -12.620 7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.257 -11.026 9.495 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.977 -10.786 9.257 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.894 -13.672 11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.923 -12.266 11.352 1.00 0.00 H new ATOM 863 N MET A 97 -4.757 -9.855 6.981 1.00 0.00 N ATOM 864 CA MET A 97 -4.710 -8.648 6.100 1.00 0.00 C ATOM 865 C MET A 97 -4.731 -7.397 6.979 1.00 0.00 C ATOM 866 O MET A 97 -3.818 -6.595 6.956 1.00 0.00 O ATOM 867 CB MET A 97 -5.935 -8.650 5.175 1.00 0.00 C ATOM 868 CG MET A 97 -5.749 -7.627 4.049 1.00 0.00 C ATOM 869 SD MET A 97 -5.934 -5.952 4.717 1.00 0.00 S ATOM 870 CE MET A 97 -4.589 -5.168 3.793 1.00 0.00 C ATOM 0 H MET A 97 -5.474 -9.826 7.706 1.00 0.00 H new ATOM 0 HA MET A 97 -3.803 -8.658 5.496 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.079 -9.644 4.753 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.832 -8.413 5.747 1.00 0.00 H new ATOM 0 HG2 MET A 97 -4.764 -7.743 3.597 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.483 -7.799 3.262 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.640 -4.087 3.923 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.631 -5.533 4.164 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.685 -5.411 2.735 1.00 0.00 H new ATOM 880 N ALA A 98 -5.763 -7.227 7.759 1.00 0.00 N ATOM 881 CA ALA A 98 -5.833 -6.031 8.643 1.00 0.00 C ATOM 882 C ALA A 98 -4.550 -5.946 9.470 1.00 0.00 C ATOM 883 O ALA A 98 -4.240 -4.923 10.046 1.00 0.00 O ATOM 884 CB ALA A 98 -7.038 -6.155 9.577 1.00 0.00 C ATOM 0 H ALA A 98 -6.558 -7.863 7.822 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.940 -5.131 8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.089 -5.279 10.224 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.951 -6.223 8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.934 -7.052 10.188 1.00 0.00 H new ATOM 890 N SER A 99 -3.795 -7.012 9.526 1.00 0.00 N ATOM 891 CA SER A 99 -2.529 -6.979 10.309 1.00 0.00 C ATOM 892 C SER A 99 -1.485 -6.196 9.515 1.00 0.00 C ATOM 893 O SER A 99 -0.824 -5.313 10.028 1.00 0.00 O ATOM 894 CB SER A 99 -2.032 -8.405 10.544 1.00 0.00 C ATOM 895 OG SER A 99 -0.704 -8.362 11.047 1.00 0.00 O ATOM 0 H SER A 99 -4.000 -7.899 9.065 1.00 0.00 H new ATOM 0 HA SER A 99 -2.700 -6.500 11.273 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.684 -8.918 11.251 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.062 -8.971 9.613 1.00 0.00 H new ATOM 0 HG SER A 99 -0.383 -9.275 11.200 1.00 0.00 H new ATOM 901 N PHE A 100 -1.341 -6.508 8.257 1.00 0.00 N ATOM 902 CA PHE A 100 -0.354 -5.779 7.421 1.00 0.00 C ATOM 903 C PHE A 100 -0.658 -4.283 7.492 1.00 0.00 C ATOM 904 O PHE A 100 0.226 -3.454 7.408 1.00 0.00 O ATOM 905 CB PHE A 100 -0.456 -6.263 5.971 1.00 0.00 C ATOM 906 CG PHE A 100 0.380 -5.368 5.079 1.00 0.00 C ATOM 907 CD1 PHE A 100 1.766 -5.256 5.301 1.00 0.00 C ATOM 908 CD2 PHE A 100 -0.229 -4.635 4.040 1.00 0.00 C ATOM 909 CE1 PHE A 100 2.542 -4.413 4.485 1.00 0.00 C ATOM 910 CE2 PHE A 100 0.550 -3.794 3.222 1.00 0.00 C ATOM 911 CZ PHE A 100 1.937 -3.683 3.447 1.00 0.00 C ATOM 0 H PHE A 100 -1.866 -7.237 7.774 1.00 0.00 H new ATOM 0 HA PHE A 100 0.656 -5.966 7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.111 -7.294 5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.496 -6.250 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.233 -5.817 6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.293 -4.718 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.605 -4.326 4.656 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.085 -3.235 2.423 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.535 -3.037 2.822 1.00 0.00 H new ATOM 921 N ILE A 101 -1.902 -3.929 7.647 1.00 0.00 N ATOM 922 CA ILE A 101 -2.256 -2.488 7.725 1.00 0.00 C ATOM 923 C ILE A 101 -1.666 -1.903 9.008 1.00 0.00 C ATOM 924 O ILE A 101 -1.136 -0.809 9.013 1.00 0.00 O ATOM 925 CB ILE A 101 -3.780 -2.338 7.713 1.00 0.00 C ATOM 926 CG1 ILE A 101 -4.291 -2.719 6.316 1.00 0.00 C ATOM 927 CG2 ILE A 101 -4.167 -0.889 8.033 1.00 0.00 C ATOM 928 CD1 ILE A 101 -5.828 -2.695 6.274 1.00 0.00 C ATOM 0 H ILE A 101 -2.687 -4.575 7.723 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.848 -1.950 6.869 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.225 -2.988 8.466 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.891 -2.026 5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.930 -3.713 6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.253 -0.791 8.022 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.788 -0.621 9.019 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.736 -0.224 7.285 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.169 -2.968 5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.223 -3.406 6.999 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.183 -1.694 6.518 1.00 0.00 H new ATOM 940 N ARG A 102 -1.735 -2.625 10.095 1.00 0.00 N ATOM 941 CA ARG A 102 -1.156 -2.104 11.365 1.00 0.00 C ATOM 942 C ARG A 102 0.265 -1.611 11.090 1.00 0.00 C ATOM 943 O ARG A 102 0.684 -0.581 11.577 1.00 0.00 O ATOM 944 CB ARG A 102 -1.117 -3.222 12.407 1.00 0.00 C ATOM 945 CG ARG A 102 -2.542 -3.678 12.712 1.00 0.00 C ATOM 946 CD ARG A 102 -2.538 -4.561 13.958 1.00 0.00 C ATOM 947 NE ARG A 102 -1.602 -5.702 13.756 1.00 0.00 N ATOM 948 CZ ARG A 102 -1.209 -6.411 14.777 1.00 0.00 C ATOM 949 NH1 ARG A 102 -1.634 -6.120 15.977 1.00 0.00 N ATOM 950 NH2 ARG A 102 -0.389 -7.412 14.601 1.00 0.00 N ATOM 0 H ARG A 102 -2.165 -3.548 10.157 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.767 -1.285 11.744 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.526 -4.060 12.036 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.633 -2.869 13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.186 -2.813 12.868 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.948 -4.229 11.864 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.236 -3.979 14.828 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.543 -4.932 14.157 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.269 -5.929 12.819 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.274 -5.338 16.116 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.326 -6.675 16.776 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.056 -7.640 13.664 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.082 -7.966 15.400 1.00 0.00 H new ATOM 964 N GLN A 103 1.004 -2.339 10.298 1.00 0.00 N ATOM 965 CA GLN A 103 2.392 -1.914 9.973 1.00 0.00 C ATOM 966 C GLN A 103 2.341 -0.587 9.210 1.00 0.00 C ATOM 967 O GLN A 103 3.171 0.280 9.399 1.00 0.00 O ATOM 968 CB GLN A 103 3.060 -2.986 9.105 1.00 0.00 C ATOM 969 CG GLN A 103 3.522 -4.150 9.986 1.00 0.00 C ATOM 970 CD GLN A 103 4.184 -5.219 9.114 1.00 0.00 C ATOM 971 OE1 GLN A 103 4.523 -4.926 7.889 1.00 0.00 O flip ATOM 972 NE2 GLN A 103 4.395 -6.332 9.553 1.00 0.00 N flip ATOM 0 H GLN A 103 0.704 -3.211 9.862 1.00 0.00 H new ATOM 0 HA GLN A 103 2.967 -1.785 10.890 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.360 -3.344 8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.911 -2.559 8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.225 -3.793 10.739 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.672 -4.576 10.519 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.130 -6.561 10.511 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.837 -7.037 8.964 1.00 0.00 H new ATOM 981 N LEU A 104 1.370 -0.421 8.353 1.00 0.00 N ATOM 982 CA LEU A 104 1.266 0.853 7.586 1.00 0.00 C ATOM 983 C LEU A 104 0.858 1.982 8.533 1.00 0.00 C ATOM 984 O LEU A 104 1.234 3.122 8.352 1.00 0.00 O ATOM 985 CB LEU A 104 0.212 0.709 6.481 1.00 0.00 C ATOM 986 CG LEU A 104 0.502 -0.532 5.625 1.00 0.00 C ATOM 987 CD1 LEU A 104 -0.490 -0.574 4.457 1.00 0.00 C ATOM 988 CD2 LEU A 104 1.944 -0.470 5.086 1.00 0.00 C ATOM 0 H LEU A 104 0.646 -1.111 8.151 1.00 0.00 H new ATOM 0 HA LEU A 104 2.231 1.082 7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.781 0.629 6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.210 1.600 5.853 1.00 0.00 H new ATOM 0 HG LEU A 104 0.393 -1.431 6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.292 -1.452 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.507 -0.625 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.377 0.325 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.144 -1.353 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.066 0.425 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.644 -0.438 5.921 1.00 0.00 H new ATOM 1000 N ASN A 105 0.091 1.675 9.542 1.00 0.00 N ATOM 1001 CA ASN A 105 -0.339 2.734 10.499 1.00 0.00 C ATOM 1002 C ASN A 105 0.787 3.014 11.497 1.00 0.00 C ATOM 1003 O ASN A 105 0.775 4.008 12.194 1.00 0.00 O ATOM 1004 CB ASN A 105 -1.585 2.263 11.254 1.00 0.00 C ATOM 1005 CG ASN A 105 -2.235 3.454 11.960 1.00 0.00 C ATOM 1006 OD1 ASN A 105 -3.529 3.605 11.902 1.00 0.00 O flip ATOM 1007 ND2 ASN A 105 -1.556 4.257 12.572 1.00 0.00 N flip ATOM 0 H ASN A 105 -0.257 0.738 9.746 1.00 0.00 H new ATOM 0 HA ASN A 105 -0.569 3.647 9.949 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -2.292 1.807 10.561 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.314 1.498 11.982 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -0.544 4.139 12.618 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.999 5.048 13.040 1.00 0.00 H new ATOM 1014 N MET A 106 1.761 2.144 11.573 1.00 0.00 N ATOM 1015 CA MET A 106 2.885 2.364 12.532 1.00 0.00 C ATOM 1016 C MET A 106 3.961 3.237 11.874 1.00 0.00 C ATOM 1017 O MET A 106 4.640 3.996 12.536 1.00 0.00 O ATOM 1018 CB MET A 106 3.495 1.007 12.930 1.00 0.00 C ATOM 1019 CG MET A 106 2.660 0.342 14.035 1.00 0.00 C ATOM 1020 SD MET A 106 3.628 -0.990 14.797 1.00 0.00 S ATOM 1021 CE MET A 106 2.666 -2.396 14.184 1.00 0.00 C ATOM 0 H MET A 106 1.827 1.293 11.014 1.00 0.00 H new ATOM 0 HA MET A 106 2.507 2.867 13.422 1.00 0.00 H new ATOM 0 HB2 MET A 106 3.542 0.354 12.059 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.519 1.150 13.276 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.378 1.079 14.787 1.00 0.00 H new ATOM 0 HG3 MET A 106 1.735 -0.057 13.618 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.993 -3.307 14.685 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.608 -2.230 14.388 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.817 -2.499 13.109 1.00 0.00 H new ATOM 1031 N TYR A 107 4.126 3.143 10.582 1.00 0.00 N ATOM 1032 CA TYR A 107 5.161 3.975 9.909 1.00 0.00 C ATOM 1033 C TYR A 107 4.620 5.396 9.726 1.00 0.00 C ATOM 1034 O TYR A 107 5.371 6.349 9.657 1.00 0.00 O ATOM 1035 CB TYR A 107 5.499 3.380 8.538 1.00 0.00 C ATOM 1036 CG TYR A 107 5.691 1.875 8.623 1.00 0.00 C ATOM 1037 CD1 TYR A 107 6.469 1.301 9.651 1.00 0.00 C ATOM 1038 CD2 TYR A 107 5.092 1.042 7.653 1.00 0.00 C ATOM 1039 CE1 TYR A 107 6.644 -0.096 9.708 1.00 0.00 C ATOM 1040 CE2 TYR A 107 5.269 -0.354 7.711 1.00 0.00 C ATOM 1041 CZ TYR A 107 6.045 -0.922 8.740 1.00 0.00 C ATOM 1042 OH TYR A 107 6.224 -2.289 8.797 1.00 0.00 O ATOM 0 H TYR A 107 3.591 2.529 9.967 1.00 0.00 H new ATOM 0 HA TYR A 107 6.063 3.996 10.521 1.00 0.00 H new ATOM 0 HB2 TYR A 107 4.700 3.608 7.833 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.407 3.844 8.151 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.931 1.933 10.395 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.496 1.477 6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.239 -0.533 10.496 1.00 0.00 H new ATOM 0 HE2 TYR A 107 4.810 -0.988 6.967 1.00 0.00 H new ATOM 0 HH TYR A 107 6.344 -2.565 9.730 1.00 0.00 H new ATOM 1052 N GLY A 108 3.319 5.547 9.653 1.00 0.00 N ATOM 1053 CA GLY A 108 2.711 6.907 9.483 1.00 0.00 C ATOM 1054 C GLY A 108 2.151 7.061 8.067 1.00 0.00 C ATOM 1055 O GLY A 108 2.417 8.032 7.387 1.00 0.00 O ATOM 0 H GLY A 108 2.647 4.781 9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.916 7.052 10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.461 7.675 9.671 1.00 0.00 H new ATOM 1059 N PHE A 109 1.367 6.117 7.617 1.00 0.00 N ATOM 1060 CA PHE A 109 0.779 6.220 6.249 1.00 0.00 C ATOM 1061 C PHE A 109 -0.498 7.065 6.321 1.00 0.00 C ATOM 1062 O PHE A 109 -0.822 7.630 7.346 1.00 0.00 O ATOM 1063 CB PHE A 109 0.444 4.809 5.728 1.00 0.00 C ATOM 1064 CG PHE A 109 1.653 4.191 5.050 1.00 0.00 C ATOM 1065 CD1 PHE A 109 2.909 4.212 5.686 1.00 0.00 C ATOM 1066 CD2 PHE A 109 1.517 3.586 3.784 1.00 0.00 C ATOM 1067 CE1 PHE A 109 4.028 3.631 5.057 1.00 0.00 C ATOM 1068 CE2 PHE A 109 2.636 3.006 3.155 1.00 0.00 C ATOM 1069 CZ PHE A 109 3.892 3.028 3.792 1.00 0.00 C ATOM 0 H PHE A 109 1.108 5.279 8.138 1.00 0.00 H new ATOM 0 HA PHE A 109 1.491 6.690 5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.121 4.177 6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.387 4.863 5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.015 4.674 6.657 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.554 3.567 3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.991 3.648 5.546 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.531 2.544 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.750 2.583 3.310 1.00 0.00 H new ATOM 1079 N HIS A 110 -1.227 7.153 5.238 1.00 0.00 N ATOM 1080 CA HIS A 110 -2.484 7.960 5.242 1.00 0.00 C ATOM 1081 C HIS A 110 -3.475 7.364 4.237 1.00 0.00 C ATOM 1082 O HIS A 110 -3.545 7.782 3.098 1.00 0.00 O ATOM 1083 CB HIS A 110 -2.163 9.403 4.846 1.00 0.00 C ATOM 1084 CG HIS A 110 -3.353 10.278 5.130 1.00 0.00 C ATOM 1085 ND1 HIS A 110 -3.286 11.661 5.068 1.00 0.00 N ATOM 1086 CD2 HIS A 110 -4.647 9.982 5.480 1.00 0.00 C ATOM 1087 CE1 HIS A 110 -4.506 12.141 5.373 1.00 0.00 C ATOM 1088 NE2 HIS A 110 -5.373 11.159 5.632 1.00 0.00 N ATOM 0 H HIS A 110 -1.006 6.701 4.351 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.924 7.945 6.239 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.295 9.759 5.401 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -1.906 9.452 3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -5.042 8.986 5.617 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.753 13.192 5.404 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -6.356 11.252 5.887 1.00 0.00 H new ATOM 1096 N LYS A 111 -4.240 6.388 4.648 1.00 0.00 N ATOM 1097 CA LYS A 111 -5.221 5.767 3.716 1.00 0.00 C ATOM 1098 C LYS A 111 -6.468 6.647 3.621 1.00 0.00 C ATOM 1099 O LYS A 111 -7.102 6.960 4.610 1.00 0.00 O ATOM 1100 CB LYS A 111 -5.605 4.378 4.229 1.00 0.00 C ATOM 1101 CG LYS A 111 -6.190 4.485 5.647 1.00 0.00 C ATOM 1102 CD LYS A 111 -6.104 3.131 6.372 1.00 0.00 C ATOM 1103 CE LYS A 111 -7.181 2.182 5.841 1.00 0.00 C ATOM 1104 NZ LYS A 111 -6.975 0.825 6.424 1.00 0.00 N ATOM 0 H LYS A 111 -4.227 5.995 5.589 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.773 5.674 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -6.334 3.923 3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.729 3.729 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.648 5.242 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.229 4.810 5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.117 2.693 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.232 3.275 7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.171 2.556 6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.135 2.134 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.706 0.178 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.035 0.470 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.040 0.879 7.461 1.00 0.00 H new ATOM 1118 N ILE A 112 -6.814 7.053 2.433 1.00 0.00 N ATOM 1119 CA ILE A 112 -8.010 7.923 2.248 1.00 0.00 C ATOM 1120 C ILE A 112 -9.284 7.064 2.258 1.00 0.00 C ATOM 1121 O ILE A 112 -9.974 6.953 1.265 1.00 0.00 O ATOM 1122 CB ILE A 112 -7.895 8.665 0.900 1.00 0.00 C ATOM 1123 CG1 ILE A 112 -6.425 9.038 0.617 1.00 0.00 C ATOM 1124 CG2 ILE A 112 -8.771 9.930 0.904 1.00 0.00 C ATOM 1125 CD1 ILE A 112 -5.814 9.820 1.783 1.00 0.00 C ATOM 0 H ILE A 112 -6.316 6.818 1.574 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.062 8.647 3.061 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.247 8.001 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.845 8.132 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.368 9.635 -0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.677 10.440 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.812 9.651 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.445 10.596 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.778 10.067 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.380 10.738 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.849 9.212 2.687 1.00 0.00 H new ATOM 1137 N THR A 113 -9.609 6.458 3.371 1.00 0.00 N ATOM 1138 CA THR A 113 -10.846 5.618 3.429 1.00 0.00 C ATOM 1139 C THR A 113 -11.439 5.672 4.842 1.00 0.00 C ATOM 1140 O THR A 113 -10.795 6.101 5.777 1.00 0.00 O ATOM 1141 CB THR A 113 -10.505 4.165 3.043 1.00 0.00 C ATOM 1142 OG1 THR A 113 -11.696 3.495 2.657 1.00 0.00 O ATOM 1143 CG2 THR A 113 -9.865 3.418 4.224 1.00 0.00 C ATOM 0 H THR A 113 -9.075 6.507 4.239 1.00 0.00 H new ATOM 0 HA THR A 113 -11.583 6.004 2.724 1.00 0.00 H new ATOM 0 HB THR A 113 -9.794 4.182 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.486 2.571 2.409 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.634 2.395 3.926 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.947 3.925 4.521 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.559 3.403 5.064 1.00 0.00 H new ATOM 1151 N SER A 114 -12.663 5.244 4.996 1.00 0.00 N ATOM 1152 CA SER A 114 -13.309 5.273 6.341 1.00 0.00 C ATOM 1153 C SER A 114 -13.688 6.715 6.697 1.00 0.00 C ATOM 1154 O SER A 114 -14.585 6.947 7.484 1.00 0.00 O ATOM 1155 CB SER A 114 -12.344 4.699 7.391 1.00 0.00 C ATOM 1156 OG SER A 114 -13.094 4.046 8.407 1.00 0.00 O ATOM 0 H SER A 114 -13.246 4.874 4.245 1.00 0.00 H new ATOM 0 HA SER A 114 -14.213 4.664 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.654 3.997 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.741 5.498 7.824 1.00 0.00 H new ATOM 0 HG SER A 114 -12.483 3.677 9.078 1.00 0.00 H new ATOM 1162 N ILE A 115 -13.004 7.676 6.116 1.00 0.00 N ATOM 1163 CA ILE A 115 -13.288 9.125 6.388 1.00 0.00 C ATOM 1164 C ILE A 115 -13.733 9.324 7.851 1.00 0.00 C ATOM 1165 O ILE A 115 -12.913 9.502 8.729 1.00 0.00 O ATOM 1166 CB ILE A 115 -14.344 9.639 5.373 1.00 0.00 C ATOM 1167 CG1 ILE A 115 -15.055 10.914 5.896 1.00 0.00 C ATOM 1168 CG2 ILE A 115 -15.378 8.543 5.077 1.00 0.00 C ATOM 1169 CD1 ILE A 115 -15.461 11.809 4.717 1.00 0.00 C ATOM 0 H ILE A 115 -12.247 7.513 5.452 1.00 0.00 H new ATOM 0 HA ILE A 115 -12.380 9.713 6.256 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.823 9.896 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -15.937 10.638 6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -14.392 11.461 6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -16.112 8.918 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -14.875 7.672 4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -15.882 8.259 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -15.960 12.702 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -14.572 12.098 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -16.140 11.263 4.062 1.00 0.00 H new ATOM 1181 N ASP A 116 -15.009 9.294 8.125 1.00 0.00 N ATOM 1182 CA ASP A 116 -15.477 9.483 9.527 1.00 0.00 C ATOM 1183 C ASP A 116 -16.987 9.245 9.596 1.00 0.00 C ATOM 1184 O ASP A 116 -17.442 8.170 9.930 1.00 0.00 O ATOM 1185 CB ASP A 116 -15.168 10.912 9.985 1.00 0.00 C ATOM 1186 CG ASP A 116 -15.760 11.141 11.377 1.00 0.00 C ATOM 1187 OD1 ASP A 116 -16.264 10.188 11.949 1.00 0.00 O ATOM 1188 OD2 ASP A 116 -15.699 12.265 11.848 1.00 0.00 O ATOM 0 H ASP A 116 -15.748 9.147 7.438 1.00 0.00 H new ATOM 0 HA ASP A 116 -14.964 8.775 10.177 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -14.090 11.074 10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -15.585 11.630 9.278 1.00 0.00 H new ATOM 1193 N ASN A 117 -17.767 10.244 9.284 1.00 0.00 N ATOM 1194 CA ASN A 117 -19.246 10.080 9.332 1.00 0.00 C ATOM 1195 C ASN A 117 -19.909 11.184 8.509 1.00 0.00 C ATOM 1196 O ASN A 117 -19.576 12.346 8.625 1.00 0.00 O ATOM 1197 CB ASN A 117 -19.721 10.170 10.785 1.00 0.00 C ATOM 1198 CG ASN A 117 -21.249 10.130 10.828 1.00 0.00 C ATOM 1199 OD1 ASN A 117 -21.909 10.926 10.190 1.00 0.00 O ATOM 1200 ND2 ASN A 117 -21.845 9.229 11.560 1.00 0.00 N ATOM 0 H ASN A 117 -17.442 11.168 8.998 1.00 0.00 H new ATOM 0 HA ASN A 117 -19.518 9.108 8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -19.309 9.344 11.365 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -19.358 11.091 11.241 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -22.864 9.194 11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -21.292 8.560 12.096 1.00 0.00 H new ATOM 1207 N GLY A 118 -20.851 10.827 7.679 1.00 0.00 N ATOM 1208 CA GLY A 118 -21.542 11.851 6.846 1.00 0.00 C ATOM 1209 C GLY A 118 -20.709 12.144 5.596 1.00 0.00 C ATOM 1210 O GLY A 118 -19.778 11.433 5.279 1.00 0.00 O ATOM 0 H GLY A 118 -21.172 9.869 7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -22.532 11.494 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -21.686 12.765 7.422 1.00 0.00 H new ATOM 1214 N GLY A 119 -21.039 13.188 4.885 1.00 0.00 N ATOM 1215 CA GLY A 119 -20.266 13.525 3.655 1.00 0.00 C ATOM 1216 C GLY A 119 -20.722 12.628 2.503 1.00 0.00 C ATOM 1217 O GLY A 119 -21.679 11.888 2.621 1.00 0.00 O ATOM 0 H GLY A 119 -21.809 13.821 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -20.415 14.573 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -19.199 13.390 3.835 1.00 0.00 H new ATOM 1221 N LEU A 120 -20.044 12.687 1.389 1.00 0.00 N ATOM 1222 CA LEU A 120 -20.439 11.836 0.231 1.00 0.00 C ATOM 1223 C LEU A 120 -20.284 10.362 0.615 1.00 0.00 C ATOM 1224 O LEU A 120 -19.998 10.033 1.750 1.00 0.00 O ATOM 1225 CB LEU A 120 -19.535 12.152 -0.970 1.00 0.00 C ATOM 1226 CG LEU A 120 -19.970 13.463 -1.653 1.00 0.00 C ATOM 1227 CD1 LEU A 120 -21.272 13.262 -2.452 1.00 0.00 C ATOM 1228 CD2 LEU A 120 -20.170 14.561 -0.598 1.00 0.00 C ATOM 0 H LEU A 120 -19.235 13.287 1.231 1.00 0.00 H new ATOM 0 HA LEU A 120 -21.476 12.038 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -18.500 12.235 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -19.576 11.332 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 120 -19.185 13.765 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -21.558 14.202 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -21.115 12.503 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -22.066 12.938 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -20.477 15.485 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -20.940 14.251 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -19.234 14.727 -0.064 1.00 0.00 H new ATOM 1240 N ARG A 121 -20.469 9.469 -0.323 1.00 0.00 N ATOM 1241 CA ARG A 121 -20.333 8.012 -0.017 1.00 0.00 C ATOM 1242 C ARG A 121 -19.740 7.293 -1.232 1.00 0.00 C ATOM 1243 O ARG A 121 -20.248 7.384 -2.331 1.00 0.00 O ATOM 1244 CB ARG A 121 -21.714 7.426 0.301 1.00 0.00 C ATOM 1245 CG ARG A 121 -22.123 7.799 1.736 1.00 0.00 C ATOM 1246 CD ARG A 121 -21.212 7.092 2.769 1.00 0.00 C ATOM 1247 NE ARG A 121 -22.042 6.474 3.854 1.00 0.00 N ATOM 1248 CZ ARG A 121 -23.005 7.140 4.438 1.00 0.00 C ATOM 1249 NH1 ARG A 121 -23.212 8.395 4.147 1.00 0.00 N ATOM 1250 NH2 ARG A 121 -23.748 6.552 5.336 1.00 0.00 N ATOM 0 H ARG A 121 -20.709 9.686 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.676 7.878 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.451 7.805 -0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.693 6.342 0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.060 8.879 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.162 7.517 1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.617 6.324 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.513 7.809 3.200 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.852 5.514 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.621 8.863 3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.965 8.908 4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.577 5.577 5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.500 7.068 5.793 1.00 0.00 H new ATOM 1264 N PHE A 122 -18.666 6.578 -1.037 1.00 0.00 N ATOM 1265 CA PHE A 122 -18.036 5.850 -2.173 1.00 0.00 C ATOM 1266 C PHE A 122 -17.142 4.740 -1.622 1.00 0.00 C ATOM 1267 O PHE A 122 -16.220 4.290 -2.274 1.00 0.00 O ATOM 1268 CB PHE A 122 -17.197 6.823 -3.003 1.00 0.00 C ATOM 1269 CG PHE A 122 -16.056 7.349 -2.163 1.00 0.00 C ATOM 1270 CD1 PHE A 122 -16.281 8.397 -1.250 1.00 0.00 C ATOM 1271 CD2 PHE A 122 -14.770 6.793 -2.294 1.00 0.00 C ATOM 1272 CE1 PHE A 122 -15.218 8.889 -0.466 1.00 0.00 C ATOM 1273 CE2 PHE A 122 -13.707 7.284 -1.510 1.00 0.00 C ATOM 1274 CZ PHE A 122 -13.932 8.331 -0.597 1.00 0.00 C ATOM 0 H PHE A 122 -18.197 6.467 -0.138 1.00 0.00 H new ATOM 0 HA PHE A 122 -18.810 5.416 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -16.809 6.321 -3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -17.817 7.649 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -17.268 8.824 -1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -14.598 5.990 -2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -15.390 9.693 0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -12.720 6.857 -1.610 1.00 0.00 H new ATOM 0 HZ PHE A 122 -13.117 8.707 0.004 1.00 0.00 H new ATOM 1284 N ASP A 123 -17.407 4.296 -0.425 1.00 0.00 N ATOM 1285 CA ASP A 123 -16.575 3.217 0.172 1.00 0.00 C ATOM 1286 C ASP A 123 -17.005 1.863 -0.397 1.00 0.00 C ATOM 1287 O ASP A 123 -18.175 1.607 -0.600 1.00 0.00 O ATOM 1288 CB ASP A 123 -16.757 3.213 1.691 1.00 0.00 C ATOM 1289 CG ASP A 123 -15.757 2.243 2.323 1.00 0.00 C ATOM 1290 OD1 ASP A 123 -14.568 2.474 2.181 1.00 0.00 O ATOM 1291 OD2 ASP A 123 -16.197 1.288 2.941 1.00 0.00 O ATOM 0 H ASP A 123 -18.166 4.635 0.166 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.527 3.394 -0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -16.607 4.217 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -17.775 2.919 1.945 1.00 0.00 H new ATOM 1296 N ARG A 124 -16.067 0.996 -0.652 1.00 0.00 N ATOM 1297 CA ARG A 124 -16.407 -0.342 -1.204 1.00 0.00 C ATOM 1298 C ARG A 124 -15.147 -1.190 -1.143 1.00 0.00 C ATOM 1299 O ARG A 124 -14.895 -2.016 -1.997 1.00 0.00 O ATOM 1300 CB ARG A 124 -16.870 -0.203 -2.654 1.00 0.00 C ATOM 1301 CG ARG A 124 -15.763 0.450 -3.485 1.00 0.00 C ATOM 1302 CD ARG A 124 -16.341 0.935 -4.814 1.00 0.00 C ATOM 1303 NE ARG A 124 -15.242 1.455 -5.675 1.00 0.00 N ATOM 1304 CZ ARG A 124 -15.446 1.643 -6.950 1.00 0.00 C ATOM 1305 NH1 ARG A 124 -16.612 1.375 -7.470 1.00 0.00 N ATOM 1306 NH2 ARG A 124 -14.485 2.100 -7.706 1.00 0.00 N ATOM 0 H ARG A 124 -15.072 1.159 -0.500 1.00 0.00 H new ATOM 0 HA ARG A 124 -17.211 -0.804 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -17.116 -1.183 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -17.777 0.399 -2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -15.329 1.287 -2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -14.959 -0.264 -3.665 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -16.856 0.118 -5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -17.080 1.717 -4.638 1.00 0.00 H new ATOM 0 HE ARG A 124 -14.330 1.664 -5.268 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -17.364 1.019 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -16.772 1.522 -8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.573 2.311 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -14.646 2.246 -8.703 1.00 0.00 H new ATOM 1320 N ASP A 125 -14.348 -0.938 -0.140 1.00 0.00 N ATOM 1321 CA ASP A 125 -13.051 -1.649 0.051 1.00 0.00 C ATOM 1322 C ASP A 125 -11.978 -0.834 -0.657 1.00 0.00 C ATOM 1323 O ASP A 125 -10.989 -1.349 -1.137 1.00 0.00 O ATOM 1324 CB ASP A 125 -13.100 -3.086 -0.508 1.00 0.00 C ATOM 1325 CG ASP A 125 -12.070 -3.960 0.215 1.00 0.00 C ATOM 1326 OD1 ASP A 125 -12.231 -4.169 1.405 1.00 0.00 O ATOM 1327 OD2 ASP A 125 -11.140 -4.406 -0.437 1.00 0.00 O ATOM 0 H ASP A 125 -14.550 -0.244 0.579 1.00 0.00 H new ATOM 0 HA ASP A 125 -12.832 -1.739 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -14.099 -3.503 -0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.895 -3.077 -1.579 1.00 0.00 H new ATOM 1332 N GLU A 126 -12.189 0.451 -0.716 1.00 0.00 N ATOM 1333 CA GLU A 126 -11.216 1.352 -1.385 1.00 0.00 C ATOM 1334 C GLU A 126 -10.118 1.732 -0.383 1.00 0.00 C ATOM 1335 O GLU A 126 -9.982 2.876 0.004 1.00 0.00 O ATOM 1336 CB GLU A 126 -11.961 2.612 -1.868 1.00 0.00 C ATOM 1337 CG GLU A 126 -12.455 2.413 -3.308 1.00 0.00 C ATOM 1338 CD GLU A 126 -13.375 3.570 -3.698 1.00 0.00 C ATOM 1339 OE1 GLU A 126 -12.869 4.662 -3.896 1.00 0.00 O ATOM 1340 OE2 GLU A 126 -14.571 3.344 -3.791 1.00 0.00 O ATOM 0 H GLU A 126 -13.006 0.919 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 126 -10.758 0.856 -2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.806 2.819 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.299 3.477 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.607 2.363 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -12.988 1.466 -3.393 1.00 0.00 H new ATOM 1347 N ILE A 127 -9.332 0.780 0.032 1.00 0.00 N ATOM 1348 CA ILE A 127 -8.239 1.082 0.999 1.00 0.00 C ATOM 1349 C ILE A 127 -7.119 1.824 0.255 1.00 0.00 C ATOM 1350 O ILE A 127 -6.280 1.234 -0.393 1.00 0.00 O ATOM 1351 CB ILE A 127 -7.736 -0.243 1.598 1.00 0.00 C ATOM 1352 CG1 ILE A 127 -6.361 -0.048 2.273 1.00 0.00 C ATOM 1353 CG2 ILE A 127 -7.633 -1.289 0.488 1.00 0.00 C ATOM 1354 CD1 ILE A 127 -5.955 -1.314 3.058 1.00 0.00 C ATOM 0 H ILE A 127 -9.398 -0.196 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 127 -8.592 1.717 1.812 1.00 0.00 H new ATOM 0 HB ILE A 127 -8.442 -0.582 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -5.608 0.175 1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -6.399 0.808 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -7.277 -2.230 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -8.614 -1.440 0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -6.934 -0.943 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -4.983 -1.156 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -6.699 -1.519 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -5.895 -2.162 2.376 1.00 0.00 H new ATOM 1366 N GLU A 128 -7.111 3.121 0.328 1.00 0.00 N ATOM 1367 CA GLU A 128 -6.058 3.899 -0.389 1.00 0.00 C ATOM 1368 C GLU A 128 -4.806 4.025 0.487 1.00 0.00 C ATOM 1369 O GLU A 128 -4.774 3.598 1.624 1.00 0.00 O ATOM 1370 CB GLU A 128 -6.585 5.303 -0.714 1.00 0.00 C ATOM 1371 CG GLU A 128 -8.059 5.235 -1.105 1.00 0.00 C ATOM 1372 CD GLU A 128 -8.234 4.274 -2.281 1.00 0.00 C ATOM 1373 OE1 GLU A 128 -7.632 4.518 -3.313 1.00 0.00 O ATOM 1374 OE2 GLU A 128 -8.967 3.310 -2.131 1.00 0.00 O ATOM 0 H GLU A 128 -7.785 3.680 0.851 1.00 0.00 H new ATOM 0 HA GLU A 128 -5.803 3.377 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -6.460 5.955 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -6.005 5.738 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -8.656 4.900 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -8.420 6.227 -1.376 1.00 0.00 H new ATOM 1381 N PHE A 129 -3.785 4.632 -0.047 1.00 0.00 N ATOM 1382 CA PHE A 129 -2.522 4.835 0.716 1.00 0.00 C ATOM 1383 C PHE A 129 -1.725 5.933 0.011 1.00 0.00 C ATOM 1384 O PHE A 129 -1.185 5.725 -1.058 1.00 0.00 O ATOM 1385 CB PHE A 129 -1.700 3.537 0.748 1.00 0.00 C ATOM 1386 CG PHE A 129 -2.221 2.609 1.829 1.00 0.00 C ATOM 1387 CD1 PHE A 129 -2.205 3.016 3.180 1.00 0.00 C ATOM 1388 CD2 PHE A 129 -2.705 1.330 1.491 1.00 0.00 C ATOM 1389 CE1 PHE A 129 -2.678 2.152 4.184 1.00 0.00 C ATOM 1390 CE2 PHE A 129 -3.176 0.464 2.498 1.00 0.00 C ATOM 1391 CZ PHE A 129 -3.164 0.878 3.843 1.00 0.00 C ATOM 0 H PHE A 129 -3.772 5.003 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 129 -2.747 5.119 1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -1.752 3.042 -0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -0.651 3.768 0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -1.829 3.993 3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -2.715 1.013 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -2.668 2.467 5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -3.546 -0.517 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.529 0.216 4.614 1.00 0.00 H new ATOM 1401 N SER A 130 -1.661 7.107 0.584 1.00 0.00 N ATOM 1402 CA SER A 130 -0.913 8.216 -0.083 1.00 0.00 C ATOM 1403 C SER A 130 -0.282 9.144 0.952 1.00 0.00 C ATOM 1404 O SER A 130 -0.875 10.126 1.356 1.00 0.00 O ATOM 1405 CB SER A 130 -1.882 9.022 -0.947 1.00 0.00 C ATOM 1406 OG SER A 130 -1.184 10.104 -1.550 1.00 0.00 O ATOM 0 H SER A 130 -2.090 7.346 1.478 1.00 0.00 H new ATOM 0 HA SER A 130 -0.122 7.784 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.320 8.384 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.704 9.398 -0.338 1.00 0.00 H new ATOM 0 HG SER A 130 -1.802 10.623 -2.106 1.00 0.00 H new ATOM 1412 N HIS A 131 0.935 8.860 1.359 1.00 0.00 N ATOM 1413 CA HIS A 131 1.642 9.741 2.344 1.00 0.00 C ATOM 1414 C HIS A 131 2.839 10.392 1.610 1.00 0.00 C ATOM 1415 O HIS A 131 3.370 9.788 0.701 1.00 0.00 O ATOM 1416 CB HIS A 131 2.125 8.898 3.531 1.00 0.00 C ATOM 1417 CG HIS A 131 3.111 7.862 3.077 1.00 0.00 C ATOM 1418 ND1 HIS A 131 4.400 7.821 3.571 1.00 0.00 N ATOM 1419 CD2 HIS A 131 3.011 6.814 2.197 1.00 0.00 C ATOM 1420 CE1 HIS A 131 5.025 6.782 2.994 1.00 0.00 C ATOM 1421 NE2 HIS A 131 4.223 6.132 2.146 1.00 0.00 N ATOM 0 H HIS A 131 1.471 8.050 1.048 1.00 0.00 H new ATOM 0 HA HIS A 131 0.977 10.514 2.730 1.00 0.00 H new ATOM 0 HB2 HIS A 131 2.586 9.543 4.279 1.00 0.00 H new ATOM 0 HB3 HIS A 131 1.274 8.413 4.010 1.00 0.00 H new ATOM 0 HD1 HIS A 131 4.804 8.464 4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 131 2.128 6.558 1.631 1.00 0.00 H new ATOM 0 HE1 HIS A 131 6.050 6.506 3.191 1.00 0.00 H new ATOM 1429 N PRO A 132 3.219 11.610 1.976 1.00 0.00 N ATOM 1430 CA PRO A 132 4.337 12.315 1.293 1.00 0.00 C ATOM 1431 C PRO A 132 5.705 11.634 1.540 1.00 0.00 C ATOM 1432 O PRO A 132 6.684 12.295 1.826 1.00 0.00 O ATOM 1433 CB PRO A 132 4.311 13.744 1.895 1.00 0.00 C ATOM 1434 CG PRO A 132 3.403 13.693 3.153 1.00 0.00 C ATOM 1435 CD PRO A 132 2.584 12.391 3.069 1.00 0.00 C ATOM 0 HA PRO A 132 4.213 12.307 0.210 1.00 0.00 H new ATOM 0 HB2 PRO A 132 5.317 14.069 2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 132 3.925 14.460 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 132 4.004 13.712 4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 132 2.744 14.561 3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 132 2.612 11.845 4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 132 1.536 12.597 2.850 1.00 0.00 H new ATOM 1443 N PHE A 133 5.811 10.332 1.418 1.00 0.00 N ATOM 1444 CA PHE A 133 7.146 9.688 1.638 1.00 0.00 C ATOM 1445 C PHE A 133 7.278 8.391 0.824 1.00 0.00 C ATOM 1446 O PHE A 133 8.179 7.611 1.051 1.00 0.00 O ATOM 1447 CB PHE A 133 7.338 9.393 3.133 1.00 0.00 C ATOM 1448 CG PHE A 133 7.804 10.643 3.846 1.00 0.00 C ATOM 1449 CD1 PHE A 133 9.177 10.952 3.898 1.00 0.00 C ATOM 1450 CD2 PHE A 133 6.866 11.495 4.457 1.00 0.00 C ATOM 1451 CE1 PHE A 133 9.611 12.113 4.564 1.00 0.00 C ATOM 1452 CE2 PHE A 133 7.300 12.656 5.124 1.00 0.00 C ATOM 1453 CZ PHE A 133 8.673 12.965 5.177 1.00 0.00 C ATOM 0 H PHE A 133 5.048 9.698 1.181 1.00 0.00 H new ATOM 0 HA PHE A 133 7.920 10.378 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 133 6.401 9.043 3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 133 8.068 8.595 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 133 9.896 10.298 3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 133 5.813 11.258 4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 133 10.664 12.350 4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 133 6.581 13.309 5.595 1.00 0.00 H new ATOM 0 HZ PHE A 133 9.006 13.856 5.688 1.00 0.00 H new ATOM 1463 N PHE A 134 6.408 8.144 -0.121 1.00 0.00 N ATOM 1464 CA PHE A 134 6.531 6.886 -0.927 1.00 0.00 C ATOM 1465 C PHE A 134 5.946 7.094 -2.328 1.00 0.00 C ATOM 1466 O PHE A 134 5.087 6.353 -2.759 1.00 0.00 O ATOM 1467 CB PHE A 134 5.772 5.760 -0.222 1.00 0.00 C ATOM 1468 CG PHE A 134 5.988 4.462 -0.963 1.00 0.00 C ATOM 1469 CD1 PHE A 134 7.217 3.785 -0.850 1.00 0.00 C ATOM 1470 CD2 PHE A 134 4.962 3.928 -1.766 1.00 0.00 C ATOM 1471 CE1 PHE A 134 7.422 2.575 -1.538 1.00 0.00 C ATOM 1472 CE2 PHE A 134 5.165 2.716 -2.456 1.00 0.00 C ATOM 1473 CZ PHE A 134 6.396 2.040 -2.342 1.00 0.00 C ATOM 0 H PHE A 134 5.625 8.749 -0.370 1.00 0.00 H new ATOM 0 HA PHE A 134 7.585 6.624 -1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 134 6.117 5.664 0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.708 5.995 -0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 134 8.004 4.195 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 134 4.019 4.447 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 134 8.365 2.057 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 134 4.378 2.306 -3.071 1.00 0.00 H new ATOM 0 HZ PHE A 134 6.553 1.112 -2.871 1.00 0.00 H new ATOM 1483 N LYS A 135 6.396 8.099 -3.042 1.00 0.00 N ATOM 1484 CA LYS A 135 5.851 8.355 -4.417 1.00 0.00 C ATOM 1485 C LYS A 135 6.824 7.839 -5.481 1.00 0.00 C ATOM 1486 O LYS A 135 7.825 8.462 -5.773 1.00 0.00 O ATOM 1487 CB LYS A 135 5.650 9.860 -4.622 1.00 0.00 C ATOM 1488 CG LYS A 135 4.926 10.472 -3.417 1.00 0.00 C ATOM 1489 CD LYS A 135 3.694 9.636 -3.056 1.00 0.00 C ATOM 1490 CE LYS A 135 2.739 10.466 -2.196 1.00 0.00 C ATOM 1491 NZ LYS A 135 1.657 9.588 -1.666 1.00 0.00 N ATOM 0 H LYS A 135 7.116 8.753 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 135 4.899 7.834 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 135 6.615 10.347 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.072 10.036 -5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.603 10.521 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 135 4.626 11.495 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 135 3.188 9.307 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 135 3.997 8.739 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 135 3.283 10.928 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 135 2.309 11.274 -2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.771 10.129 -1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.524 8.778 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.921 9.244 -0.721 1.00 0.00 H new ATOM 1505 N ARG A 136 6.522 6.712 -6.073 1.00 0.00 N ATOM 1506 CA ARG A 136 7.406 6.147 -7.138 1.00 0.00 C ATOM 1507 C ARG A 136 8.881 6.294 -6.750 1.00 0.00 C ATOM 1508 O ARG A 136 9.277 5.982 -5.644 1.00 0.00 O ATOM 1509 CB ARG A 136 7.152 6.890 -8.454 1.00 0.00 C ATOM 1510 CG ARG A 136 5.677 6.758 -8.842 1.00 0.00 C ATOM 1511 CD ARG A 136 5.499 7.141 -10.313 1.00 0.00 C ATOM 1512 NE ARG A 136 6.156 8.454 -10.569 1.00 0.00 N ATOM 1513 CZ ARG A 136 6.393 8.836 -11.793 1.00 0.00 C ATOM 1514 NH1 ARG A 136 6.054 8.070 -12.793 1.00 0.00 N ATOM 1515 NH2 ARG A 136 6.969 9.985 -12.018 1.00 0.00 N ATOM 0 H ARG A 136 5.694 6.154 -5.863 1.00 0.00 H new ATOM 0 HA ARG A 136 7.179 5.087 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 136 7.417 7.942 -8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 136 7.784 6.481 -9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 136 5.337 5.735 -8.678 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.065 7.402 -8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 136 5.933 6.374 -10.954 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.439 7.199 -10.559 1.00 0.00 H new ATOM 0 HE ARG A 136 6.420 9.053 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 136 5.603 7.172 -12.618 1.00 0.00 H new ATOM 0 HH12 ARG A 136 6.240 8.369 -13.750 1.00 0.00 H new ATOM 0 HH21 ARG A 136 7.234 10.584 -11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 136 7.154 10.284 -12.975 1.00 0.00 H new ATOM 1529 N ASN A 137 9.695 6.760 -7.658 1.00 0.00 N ATOM 1530 CA ASN A 137 11.145 6.925 -7.358 1.00 0.00 C ATOM 1531 C ASN A 137 11.318 7.752 -6.083 1.00 0.00 C ATOM 1532 O ASN A 137 11.165 7.256 -4.984 1.00 0.00 O ATOM 1533 CB ASN A 137 11.828 7.641 -8.525 1.00 0.00 C ATOM 1534 CG ASN A 137 11.706 6.789 -9.788 1.00 0.00 C ATOM 1535 OD1 ASN A 137 10.880 5.779 -9.804 1.00 0.00 O flip ATOM 1536 ND2 ASN A 137 12.370 7.045 -10.774 1.00 0.00 N flip ATOM 0 H ASN A 137 9.416 7.035 -8.600 1.00 0.00 H new ATOM 0 HA ASN A 137 11.597 5.944 -7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 137 11.369 8.616 -8.686 1.00 0.00 H new ATOM 0 HB3 ASN A 137 12.878 7.817 -8.293 1.00 0.00 H new ATOM 0 HD21 ASN A 137 13.016 7.834 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.281 6.471 -11.612 1.00 0.00 H new ATOM 1543 N SER A 138 11.644 9.009 -6.218 1.00 0.00 N ATOM 1544 CA SER A 138 11.835 9.859 -5.009 1.00 0.00 C ATOM 1545 C SER A 138 12.779 9.140 -4.032 1.00 0.00 C ATOM 1546 O SER A 138 12.355 8.720 -2.973 1.00 0.00 O ATOM 1547 CB SER A 138 10.482 10.090 -4.337 1.00 0.00 C ATOM 1548 OG SER A 138 10.096 8.914 -3.637 1.00 0.00 O ATOM 0 H SER A 138 11.786 9.482 -7.110 1.00 0.00 H new ATOM 0 HA SER A 138 12.267 10.818 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 138 10.545 10.933 -3.648 1.00 0.00 H new ATOM 0 HB3 SER A 138 9.731 10.345 -5.085 1.00 0.00 H new ATOM 0 HG SER A 138 10.845 8.282 -3.621 1.00 0.00 H new ATOM 1554 N PRO A 139 14.032 9.000 -4.416 1.00 0.00 N ATOM 1555 CA PRO A 139 15.025 8.311 -3.569 1.00 0.00 C ATOM 1556 C PRO A 139 15.165 9.024 -2.217 1.00 0.00 C ATOM 1557 O PRO A 139 15.545 8.426 -1.230 1.00 0.00 O ATOM 1558 CB PRO A 139 16.344 8.358 -4.379 1.00 0.00 C ATOM 1559 CG PRO A 139 16.036 9.061 -5.734 1.00 0.00 C ATOM 1560 CD PRO A 139 14.559 9.511 -5.701 1.00 0.00 C ATOM 0 HA PRO A 139 14.737 7.285 -3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 139 17.112 8.903 -3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 139 16.727 7.351 -4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 139 16.694 9.918 -5.879 1.00 0.00 H new ATOM 0 HG3 PRO A 139 16.210 8.380 -6.567 1.00 0.00 H new ATOM 0 HD2 PRO A 139 14.476 10.596 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 139 14.003 9.104 -6.546 1.00 0.00 H new ATOM 1568 N PHE A 140 14.869 10.295 -2.160 1.00 0.00 N ATOM 1569 CA PHE A 140 14.998 11.022 -0.867 1.00 0.00 C ATOM 1570 C PHE A 140 13.807 10.674 0.037 1.00 0.00 C ATOM 1571 O PHE A 140 13.627 11.252 1.090 1.00 0.00 O ATOM 1572 CB PHE A 140 15.073 12.543 -1.131 1.00 0.00 C ATOM 1573 CG PHE A 140 13.689 13.150 -1.260 1.00 0.00 C ATOM 1574 CD1 PHE A 140 12.945 12.974 -2.444 1.00 0.00 C ATOM 1575 CD2 PHE A 140 13.148 13.895 -0.193 1.00 0.00 C ATOM 1576 CE1 PHE A 140 11.661 13.544 -2.559 1.00 0.00 C ATOM 1577 CE2 PHE A 140 11.865 14.462 -0.308 1.00 0.00 C ATOM 1578 CZ PHE A 140 11.122 14.287 -1.490 1.00 0.00 C ATOM 0 H PHE A 140 14.546 10.857 -2.948 1.00 0.00 H new ATOM 0 HA PHE A 140 15.914 10.719 -0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 140 15.611 13.029 -0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 140 15.640 12.728 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 140 13.358 12.403 -3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 140 13.719 14.031 0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 140 11.090 13.411 -3.466 1.00 0.00 H new ATOM 0 HE2 PHE A 140 11.451 15.031 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 140 10.138 14.723 -1.578 1.00 0.00 H new ATOM 1588 N LEU A 141 12.997 9.722 -0.371 1.00 0.00 N ATOM 1589 CA LEU A 141 11.811 9.310 0.451 1.00 0.00 C ATOM 1590 C LEU A 141 11.920 7.823 0.795 1.00 0.00 C ATOM 1591 O LEU A 141 10.973 7.076 0.650 1.00 0.00 O ATOM 1592 CB LEU A 141 10.521 9.532 -0.348 1.00 0.00 C ATOM 1593 CG LEU A 141 10.386 11.007 -0.754 1.00 0.00 C ATOM 1594 CD1 LEU A 141 9.051 11.217 -1.493 1.00 0.00 C ATOM 1595 CD2 LEU A 141 10.441 11.907 0.497 1.00 0.00 C ATOM 0 H LEU A 141 13.108 9.209 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 141 11.789 9.907 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 141 10.525 8.903 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 141 9.660 9.233 0.250 1.00 0.00 H new ATOM 0 HG LEU A 141 11.211 11.274 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 141 8.955 12.264 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 141 9.027 10.591 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 141 8.225 10.944 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.344 12.951 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.625 11.645 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 141 11.393 11.762 1.008 1.00 0.00 H new ATOM 1607 N LEU A 142 13.060 7.383 1.258 1.00 0.00 N ATOM 1608 CA LEU A 142 13.226 5.953 1.618 1.00 0.00 C ATOM 1609 C LEU A 142 14.196 5.851 2.793 1.00 0.00 C ATOM 1610 O LEU A 142 15.397 5.891 2.624 1.00 0.00 O ATOM 1611 CB LEU A 142 13.796 5.180 0.435 1.00 0.00 C ATOM 1612 CG LEU A 142 12.719 4.951 -0.638 1.00 0.00 C ATOM 1613 CD1 LEU A 142 13.374 4.326 -1.874 1.00 0.00 C ATOM 1614 CD2 LEU A 142 11.611 4.013 -0.106 1.00 0.00 C ATOM 0 H LEU A 142 13.888 7.962 1.402 1.00 0.00 H new ATOM 0 HA LEU A 142 12.257 5.532 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 142 14.633 5.730 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 142 14.186 4.221 0.776 1.00 0.00 H new ATOM 0 HG LEU A 142 12.265 5.907 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 142 12.618 4.159 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 142 14.140 4.999 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 142 13.831 3.374 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 142 10.858 3.863 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 142 12.048 3.052 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 142 11.145 4.461 0.771 1.00 0.00 H new ATOM 1626 N ASP A 143 13.664 5.715 3.969 1.00 0.00 N ATOM 1627 CA ASP A 143 14.502 5.601 5.205 1.00 0.00 C ATOM 1628 C ASP A 143 13.625 5.936 6.422 1.00 0.00 C ATOM 1629 O ASP A 143 13.670 5.265 7.435 1.00 0.00 O ATOM 1630 CB ASP A 143 15.706 6.571 5.124 1.00 0.00 C ATOM 1631 CG ASP A 143 16.188 6.973 6.525 1.00 0.00 C ATOM 1632 OD1 ASP A 143 16.585 6.093 7.270 1.00 0.00 O ATOM 1633 OD2 ASP A 143 16.149 8.155 6.827 1.00 0.00 O ATOM 0 H ASP A 143 12.659 5.676 4.137 1.00 0.00 H new ATOM 0 HA ASP A 143 14.890 4.587 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 143 16.522 6.098 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 143 15.422 7.462 4.564 1.00 0.00 H new ATOM 1638 N GLN A 144 12.836 6.975 6.333 1.00 0.00 N ATOM 1639 CA GLN A 144 11.967 7.359 7.485 1.00 0.00 C ATOM 1640 C GLN A 144 10.672 6.541 7.460 1.00 0.00 C ATOM 1641 O GLN A 144 9.868 6.614 8.369 1.00 0.00 O ATOM 1642 CB GLN A 144 11.621 8.848 7.393 1.00 0.00 C ATOM 1643 CG GLN A 144 12.898 9.667 7.180 1.00 0.00 C ATOM 1644 CD GLN A 144 13.348 9.555 5.721 1.00 0.00 C ATOM 1645 OE1 GLN A 144 12.456 9.575 4.769 1.00 0.00 O flip ATOM 1646 NE2 GLN A 144 14.528 9.452 5.446 1.00 0.00 N flip ATOM 0 H GLN A 144 12.756 7.575 5.512 1.00 0.00 H new ATOM 0 HA GLN A 144 12.503 7.161 8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 144 10.927 9.019 6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 144 11.119 9.171 8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 144 12.718 10.711 7.436 1.00 0.00 H new ATOM 0 HG3 GLN A 144 13.686 9.308 7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 144 15.226 9.436 6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 144 14.820 9.381 4.471 1.00 0.00 H new ATOM 1655 N ILE A 145 10.455 5.770 6.431 1.00 0.00 N ATOM 1656 CA ILE A 145 9.205 4.960 6.363 1.00 0.00 C ATOM 1657 C ILE A 145 9.320 3.752 7.297 1.00 0.00 C ATOM 1658 O ILE A 145 9.239 2.619 6.866 1.00 0.00 O ATOM 1659 CB ILE A 145 8.988 4.467 4.931 1.00 0.00 C ATOM 1660 CG1 ILE A 145 9.227 5.615 3.947 1.00 0.00 C ATOM 1661 CG2 ILE A 145 7.555 3.957 4.778 1.00 0.00 C ATOM 1662 CD1 ILE A 145 8.889 5.154 2.523 1.00 0.00 C ATOM 0 H ILE A 145 11.086 5.665 5.637 1.00 0.00 H new ATOM 0 HA ILE A 145 8.362 5.580 6.669 1.00 0.00 H new ATOM 0 HB ILE A 145 9.688 3.659 4.720 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.611 6.473 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 145 10.266 5.940 3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.401 3.606 3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.385 3.136 5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.856 4.765 4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 145 9.060 5.974 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.523 4.310 2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.843 4.851 2.477 1.00 0.00 H new ATOM 1674 N LYS A 146 9.507 3.978 8.570 1.00 0.00 N ATOM 1675 CA LYS A 146 9.626 2.832 9.520 1.00 0.00 C ATOM 1676 C LYS A 146 9.118 3.259 10.903 1.00 0.00 C ATOM 1677 O LYS A 146 8.943 4.431 11.177 1.00 0.00 O ATOM 1678 CB LYS A 146 11.108 2.396 9.598 1.00 0.00 C ATOM 1679 CG LYS A 146 11.217 0.863 9.714 1.00 0.00 C ATOM 1680 CD LYS A 146 11.104 0.217 8.326 1.00 0.00 C ATOM 1681 CE LYS A 146 11.367 -1.285 8.441 1.00 0.00 C ATOM 1682 NZ LYS A 146 11.012 -1.952 7.157 1.00 0.00 N ATOM 0 H LYS A 146 9.582 4.903 8.993 1.00 0.00 H new ATOM 0 HA LYS A 146 9.024 1.992 9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 146 11.640 2.738 8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 146 11.586 2.866 10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 146 12.168 0.592 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 146 10.430 0.483 10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 146 10.112 0.393 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 146 11.821 0.671 7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 146 12.416 -1.464 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 146 10.779 -1.706 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 11.361 -2.932 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 9.979 -1.954 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 11.449 -1.437 6.366 1.00 0.00 H new ATOM 1696 N ARG A 147 8.878 2.316 11.776 1.00 0.00 N ATOM 1697 CA ARG A 147 8.380 2.663 13.139 1.00 0.00 C ATOM 1698 C ARG A 147 9.242 3.792 13.719 1.00 0.00 C ATOM 1699 O ARG A 147 10.347 3.572 14.176 1.00 0.00 O ATOM 1700 CB ARG A 147 8.457 1.415 14.042 1.00 0.00 C ATOM 1701 CG ARG A 147 7.133 0.641 13.980 1.00 0.00 C ATOM 1702 CD ARG A 147 7.348 -0.797 14.452 1.00 0.00 C ATOM 1703 NE ARG A 147 7.744 -0.796 15.889 1.00 0.00 N ATOM 1704 CZ ARG A 147 7.685 -1.900 16.583 1.00 0.00 C ATOM 1705 NH1 ARG A 147 7.280 -3.005 16.019 1.00 0.00 N ATOM 1706 NH2 ARG A 147 8.032 -1.900 17.842 1.00 0.00 N ATOM 0 H ARG A 147 9.006 1.319 11.603 1.00 0.00 H new ATOM 0 HA ARG A 147 7.344 2.998 13.084 1.00 0.00 H new ATOM 0 HB2 ARG A 147 9.278 0.774 13.721 1.00 0.00 H new ATOM 0 HB3 ARG A 147 8.667 1.712 15.070 1.00 0.00 H new ATOM 0 HG2 ARG A 147 6.386 1.130 14.605 1.00 0.00 H new ATOM 0 HG3 ARG A 147 6.747 0.644 12.961 1.00 0.00 H new ATOM 0 HD2 ARG A 147 6.434 -1.376 14.316 1.00 0.00 H new ATOM 0 HD3 ARG A 147 8.121 -1.276 13.851 1.00 0.00 H new ATOM 0 HE ARG A 147 8.061 0.067 16.330 1.00 0.00 H new ATOM 0 HH11 ARG A 147 7.009 -3.006 15.036 1.00 0.00 H new ATOM 0 HH12 ARG A 147 7.234 -3.867 16.562 1.00 0.00 H new ATOM 0 HH21 ARG A 147 8.349 -1.037 18.284 1.00 0.00 H new ATOM 0 HH22 ARG A 147 7.986 -2.763 18.384 1.00 0.00 H new ATOM 1720 N LYS A 148 8.741 4.997 13.705 1.00 0.00 N ATOM 1721 CA LYS A 148 9.525 6.139 14.256 1.00 0.00 C ATOM 1722 C LYS A 148 10.066 5.766 15.638 1.00 0.00 C ATOM 1723 O LYS A 148 9.411 5.095 16.412 1.00 0.00 O ATOM 1724 CB LYS A 148 8.614 7.368 14.375 1.00 0.00 C ATOM 1725 CG LYS A 148 8.381 7.995 12.986 1.00 0.00 C ATOM 1726 CD LYS A 148 9.515 8.972 12.645 1.00 0.00 C ATOM 1727 CE LYS A 148 9.201 9.673 11.322 1.00 0.00 C ATOM 1728 NZ LYS A 148 7.867 10.332 11.413 1.00 0.00 N ATOM 0 H LYS A 148 7.822 5.240 13.336 1.00 0.00 H new ATOM 0 HA LYS A 148 10.358 6.366 13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 148 7.660 7.081 14.817 1.00 0.00 H new ATOM 0 HB3 LYS A 148 9.066 8.102 15.042 1.00 0.00 H new ATOM 0 HG2 LYS A 148 8.327 7.211 12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 148 7.425 8.518 12.971 1.00 0.00 H new ATOM 0 HD2 LYS A 148 9.628 9.708 13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 148 10.461 8.436 12.570 1.00 0.00 H new ATOM 0 HE2 LYS A 148 9.970 10.413 11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 148 9.207 8.951 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 7.875 11.211 10.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 7.137 9.692 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 7.656 10.554 12.407 1.00 0.00 H new TER 1742 LYS A 148