USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=24 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= -0.556 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -144:sc= -0.0469 (180deg=-3.29!) USER MOD Set 2.1: A 94 HIS : no HE2:sc= -9.96! C(o=-18!,f=-29!) USER MOD Set 2.2: A 96 ASN : amide:sc= -5.04! C(o=-18!,f=-27!) USER MOD Set 2.3: A 99 SER OG : rot 153:sc= -3.19! USER MOD Set 3.1: A 69 THR OG1 : rot 42:sc= 0.913 USER MOD Set 3.2: A 74 SER OG : rot -44:sc= 0.211 USER MOD Set 4.1: A 52 LYS NZ :NH3+ -161:sc= -1.52! (180deg=-0.709) USER MOD Set 4.2: A 91 ASN : amide:sc= -1.95! C(o=-3.5!,f=-13!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 167:sc= 0.16 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.334 F(o=-3.4!,f=-0.33) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.142 (180deg=-0.913) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -1.59 F(o=-7.1!,f=-1.6) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0.0203 K(o=0.02,f=-0.94!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 1:sc= -0.118 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.974 F(o=-7!,f=-0.97) USER MOD Single : A 97 MET CE :methyl 154:sc= -0.139 (180deg=-1.9) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.324 K(o=-0.32,f=-3.5!) USER MOD Single : A 106 MET CE :methyl -149:sc= -0.363 (180deg=-2.09!) USER MOD Single : A 107 TYR OH : rot -122:sc= 0.918 USER MOD Single : A 110 HIS :FLIP no HE2:sc= -2.63 F(o=-4.7!,f=-2.6) USER MOD Single : A 111 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.315) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.275 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 131 HIS : no HD1:sc= -3.77 K(o=-3.8,f=-7.1!) USER MOD Single : A 137 ASN : amide:sc= -0.741 K(o=-0.74,f=-4.5!) USER MOD Single : A 138 SER OG : rot 57:sc= -1.85! USER MOD Single : A 144 GLN : amide:sc= -16! C(o=-16!,f=-32!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 43 22.355 3.195 -2.611 1.00 0.00 N ATOM 2 CA GLY A 43 22.529 1.786 -3.064 1.00 0.00 C ATOM 3 C GLY A 43 21.349 0.943 -2.578 1.00 0.00 C ATOM 4 O GLY A 43 20.269 1.445 -2.343 1.00 0.00 O ATOM 0 HA2 GLY A 43 22.593 1.748 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 43 23.463 1.381 -2.675 1.00 0.00 H new ATOM 8 N SER A 44 21.548 -0.339 -2.426 1.00 0.00 N ATOM 9 CA SER A 44 20.437 -1.214 -1.957 1.00 0.00 C ATOM 10 C SER A 44 20.286 -1.078 -0.440 1.00 0.00 C ATOM 11 O SER A 44 20.111 -2.051 0.266 1.00 0.00 O ATOM 12 CB SER A 44 20.751 -2.669 -2.309 1.00 0.00 C ATOM 13 OG SER A 44 21.136 -2.749 -3.675 1.00 0.00 O ATOM 0 H SER A 44 22.431 -0.817 -2.606 1.00 0.00 H new ATOM 0 HA SER A 44 19.509 -0.914 -2.443 1.00 0.00 H new ATOM 0 HB2 SER A 44 21.551 -3.045 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 44 19.878 -3.296 -2.128 1.00 0.00 H new ATOM 0 HG SER A 44 21.340 -3.680 -3.903 1.00 0.00 H new ATOM 19 N GLY A 45 20.353 0.123 0.068 1.00 0.00 N ATOM 20 CA GLY A 45 20.213 0.319 1.539 1.00 0.00 C ATOM 21 C GLY A 45 18.793 -0.051 1.971 1.00 0.00 C ATOM 22 O GLY A 45 18.580 -0.563 3.052 1.00 0.00 O ATOM 0 H GLY A 45 20.499 0.976 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.938 -0.298 2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.425 1.356 1.800 1.00 0.00 H new ATOM 26 N VAL A 46 17.823 0.205 1.131 1.00 0.00 N ATOM 27 CA VAL A 46 16.407 -0.125 1.475 1.00 0.00 C ATOM 28 C VAL A 46 16.339 -1.522 2.137 1.00 0.00 C ATOM 29 O VAL A 46 16.506 -2.506 1.447 1.00 0.00 O ATOM 30 CB VAL A 46 15.588 -0.157 0.183 1.00 0.00 C ATOM 31 CG1 VAL A 46 14.114 -0.386 0.519 1.00 0.00 C ATOM 32 CG2 VAL A 46 15.742 1.178 -0.549 1.00 0.00 C ATOM 0 H VAL A 46 17.953 0.632 0.214 1.00 0.00 H new ATOM 0 HA VAL A 46 16.015 0.623 2.164 1.00 0.00 H new ATOM 0 HB VAL A 46 15.945 -0.966 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.530 -0.409 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.003 -1.336 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.756 0.423 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.159 1.157 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 46 15.384 1.986 0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 46 16.793 1.343 -0.788 1.00 0.00 H new ATOM 42 N PRO A 47 16.111 -1.600 3.445 1.00 0.00 N ATOM 43 CA PRO A 47 16.046 -2.911 4.126 1.00 0.00 C ATOM 44 C PRO A 47 14.783 -3.676 3.680 1.00 0.00 C ATOM 45 O PRO A 47 13.866 -3.892 4.448 1.00 0.00 O ATOM 46 CB PRO A 47 16.008 -2.570 5.638 1.00 0.00 C ATOM 47 CG PRO A 47 15.821 -1.030 5.763 1.00 0.00 C ATOM 48 CD PRO A 47 15.910 -0.435 4.339 1.00 0.00 C ATOM 0 HA PRO A 47 16.891 -3.557 3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.191 -3.097 6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.930 -2.886 6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.858 -0.796 6.217 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.589 -0.601 6.407 1.00 0.00 H new ATOM 0 HD2 PRO A 47 15.000 0.107 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 47 16.736 0.271 4.258 1.00 0.00 H new ATOM 56 N ALA A 48 14.736 -4.092 2.441 1.00 0.00 N ATOM 57 CA ALA A 48 13.546 -4.845 1.941 1.00 0.00 C ATOM 58 C ALA A 48 12.256 -4.174 2.425 1.00 0.00 C ATOM 59 O ALA A 48 12.223 -2.990 2.690 1.00 0.00 O ATOM 60 CB ALA A 48 13.598 -6.281 2.469 1.00 0.00 C ATOM 0 H ALA A 48 15.473 -3.942 1.751 1.00 0.00 H new ATOM 0 HA ALA A 48 13.559 -4.849 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.731 -6.834 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.510 -6.765 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.590 -6.268 3.559 1.00 0.00 H new ATOM 66 N PHE A 49 11.197 -4.930 2.542 1.00 0.00 N ATOM 67 CA PHE A 49 9.904 -4.352 3.012 1.00 0.00 C ATOM 68 C PHE A 49 9.460 -3.233 2.062 1.00 0.00 C ATOM 69 O PHE A 49 8.588 -3.419 1.238 1.00 0.00 O ATOM 70 CB PHE A 49 10.077 -3.792 4.429 1.00 0.00 C ATOM 71 CG PHE A 49 8.720 -3.594 5.067 1.00 0.00 C ATOM 72 CD1 PHE A 49 7.905 -2.516 4.667 1.00 0.00 C ATOM 73 CD2 PHE A 49 8.268 -4.487 6.059 1.00 0.00 C ATOM 74 CE1 PHE A 49 6.641 -2.332 5.258 1.00 0.00 C ATOM 75 CE2 PHE A 49 7.003 -4.302 6.649 1.00 0.00 C ATOM 76 CZ PHE A 49 6.189 -3.225 6.249 1.00 0.00 C ATOM 0 H PHE A 49 11.172 -5.928 2.331 1.00 0.00 H new ATOM 0 HA PHE A 49 9.143 -5.132 3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.676 -4.476 5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.615 -2.844 4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.250 -1.831 3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.892 -5.313 6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.017 -1.505 4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.657 -4.987 7.409 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.219 -3.084 6.702 1.00 0.00 H new ATOM 86 N LEU A 50 10.048 -2.073 2.170 1.00 0.00 N ATOM 87 CA LEU A 50 9.650 -0.954 1.270 1.00 0.00 C ATOM 88 C LEU A 50 9.946 -1.342 -0.180 1.00 0.00 C ATOM 89 O LEU A 50 9.128 -1.160 -1.061 1.00 0.00 O ATOM 90 CB LEU A 50 10.444 0.307 1.632 1.00 0.00 C ATOM 91 CG LEU A 50 10.262 0.635 3.122 1.00 0.00 C ATOM 92 CD1 LEU A 50 11.320 1.656 3.548 1.00 0.00 C ATOM 93 CD2 LEU A 50 8.866 1.221 3.370 1.00 0.00 C ATOM 0 H LEU A 50 10.784 -1.852 2.840 1.00 0.00 H new ATOM 0 HA LEU A 50 8.585 -0.756 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.501 0.157 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.107 1.146 1.023 1.00 0.00 H new ATOM 0 HG LEU A 50 10.372 -0.281 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.194 1.891 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.314 1.239 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.206 2.565 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.750 1.449 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.746 2.134 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.109 0.497 3.070 1.00 0.00 H new ATOM 105 N ALA A 51 11.109 -1.876 -0.435 1.00 0.00 N ATOM 106 CA ALA A 51 11.453 -2.275 -1.829 1.00 0.00 C ATOM 107 C ALA A 51 10.410 -3.270 -2.343 1.00 0.00 C ATOM 108 O ALA A 51 9.981 -3.202 -3.478 1.00 0.00 O ATOM 109 CB ALA A 51 12.836 -2.929 -1.848 1.00 0.00 C ATOM 0 H ALA A 51 11.834 -2.053 0.260 1.00 0.00 H new ATOM 0 HA ALA A 51 11.462 -1.393 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 51 13.087 -3.220 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.578 -2.221 -1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 51 12.830 -3.812 -1.209 1.00 0.00 H new ATOM 115 N LYS A 52 9.994 -4.192 -1.517 1.00 0.00 N ATOM 116 CA LYS A 52 8.976 -5.184 -1.965 1.00 0.00 C ATOM 117 C LYS A 52 7.775 -4.440 -2.552 1.00 0.00 C ATOM 118 O LYS A 52 7.219 -4.836 -3.556 1.00 0.00 O ATOM 119 CB LYS A 52 8.523 -6.030 -0.774 1.00 0.00 C ATOM 120 CG LYS A 52 9.700 -6.864 -0.262 1.00 0.00 C ATOM 121 CD LYS A 52 9.222 -7.788 0.859 1.00 0.00 C ATOM 122 CE LYS A 52 10.280 -8.862 1.123 1.00 0.00 C ATOM 123 NZ LYS A 52 10.251 -9.869 0.025 1.00 0.00 N ATOM 0 H LYS A 52 10.314 -4.301 -0.555 1.00 0.00 H new ATOM 0 HA LYS A 52 9.410 -5.836 -2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.147 -5.386 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.702 -6.683 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.124 -7.452 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.491 -6.210 0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.039 -7.212 1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.277 -8.254 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.268 -8.406 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.090 -9.347 2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.716 -10.743 0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.264 -10.075 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.753 -9.493 -0.805 1.00 0.00 H new ATOM 137 N LEU A 53 7.375 -3.360 -1.936 1.00 0.00 N ATOM 138 CA LEU A 53 6.216 -2.589 -2.468 1.00 0.00 C ATOM 139 C LEU A 53 6.503 -2.198 -3.916 1.00 0.00 C ATOM 140 O LEU A 53 5.688 -2.389 -4.797 1.00 0.00 O ATOM 141 CB LEU A 53 6.004 -1.322 -1.634 1.00 0.00 C ATOM 142 CG LEU A 53 6.048 -1.665 -0.141 1.00 0.00 C ATOM 143 CD1 LEU A 53 5.770 -0.402 0.677 1.00 0.00 C ATOM 144 CD2 LEU A 53 4.987 -2.724 0.177 1.00 0.00 C ATOM 0 H LEU A 53 7.800 -2.980 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 53 5.317 -3.204 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.775 -0.588 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.045 -0.869 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 53 7.033 -2.056 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.801 -0.643 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.527 0.350 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.785 -0.013 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.021 -2.966 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.000 -2.337 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.185 -3.623 -0.406 1.00 0.00 H new ATOM 156 N TRP A 54 7.661 -1.657 -4.169 1.00 0.00 N ATOM 157 CA TRP A 54 8.009 -1.257 -5.561 1.00 0.00 C ATOM 158 C TRP A 54 7.731 -2.427 -6.508 1.00 0.00 C ATOM 159 O TRP A 54 7.389 -2.241 -7.658 1.00 0.00 O ATOM 160 CB TRP A 54 9.491 -0.884 -5.631 1.00 0.00 C ATOM 161 CG TRP A 54 9.836 -0.468 -7.024 1.00 0.00 C ATOM 162 CD1 TRP A 54 9.293 0.586 -7.678 1.00 0.00 C ATOM 163 CD2 TRP A 54 10.789 -1.075 -7.944 1.00 0.00 C ATOM 164 NE1 TRP A 54 9.850 0.667 -8.942 1.00 0.00 N ATOM 165 CE2 TRP A 54 10.778 -0.334 -9.157 1.00 0.00 C ATOM 166 CE3 TRP A 54 11.655 -2.189 -7.849 1.00 0.00 C ATOM 167 CZ2 TRP A 54 11.599 -0.685 -10.239 1.00 0.00 C ATOM 168 CZ3 TRP A 54 12.483 -2.545 -8.935 1.00 0.00 C ATOM 169 CH2 TRP A 54 12.453 -1.794 -10.128 1.00 0.00 C ATOM 0 H TRP A 54 8.383 -1.474 -3.472 1.00 0.00 H new ATOM 0 HA TRP A 54 7.406 -0.398 -5.855 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.706 -0.074 -4.935 1.00 0.00 H new ATOM 0 HB3 TRP A 54 10.105 -1.733 -5.331 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.546 1.255 -7.278 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.606 1.379 -9.631 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.683 -2.771 -6.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.574 -0.106 -11.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 13.142 -3.396 -8.852 1.00 0.00 H new ATOM 0 HH2 TRP A 54 13.087 -2.072 -10.957 1.00 0.00 H new ATOM 180 N ARG A 55 7.873 -3.634 -6.029 1.00 0.00 N ATOM 181 CA ARG A 55 7.615 -4.818 -6.896 1.00 0.00 C ATOM 182 C ARG A 55 6.111 -5.095 -6.943 1.00 0.00 C ATOM 183 O ARG A 55 5.514 -5.148 -8.000 1.00 0.00 O ATOM 184 CB ARG A 55 8.341 -6.038 -6.322 1.00 0.00 C ATOM 185 CG ARG A 55 9.849 -5.782 -6.327 1.00 0.00 C ATOM 186 CD ARG A 55 10.592 -7.097 -6.087 1.00 0.00 C ATOM 187 NE ARG A 55 10.281 -7.602 -4.721 1.00 0.00 N ATOM 188 CZ ARG A 55 10.554 -8.839 -4.404 1.00 0.00 C ATOM 189 NH1 ARG A 55 11.101 -9.632 -5.284 1.00 0.00 N ATOM 190 NH2 ARG A 55 10.282 -9.282 -3.207 1.00 0.00 N ATOM 0 H ARG A 55 8.157 -3.850 -5.073 1.00 0.00 H new ATOM 0 HA ARG A 55 7.980 -4.619 -7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.998 -6.234 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.110 -6.924 -6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.152 -5.350 -7.281 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.108 -5.059 -5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.298 -7.834 -6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.666 -6.945 -6.194 1.00 0.00 H new ATOM 0 HE ARG A 55 9.855 -6.981 -4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.315 -9.286 -6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.314 -10.598 -5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 55 9.856 -8.662 -2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.496 -10.248 -2.960 1.00 0.00 H new ATOM 204 N LEU A 56 5.492 -5.268 -5.807 1.00 0.00 N ATOM 205 CA LEU A 56 4.026 -5.538 -5.790 1.00 0.00 C ATOM 206 C LEU A 56 3.313 -4.498 -6.660 1.00 0.00 C ATOM 207 O LEU A 56 2.636 -4.830 -7.613 1.00 0.00 O ATOM 208 CB LEU A 56 3.507 -5.448 -4.343 1.00 0.00 C ATOM 209 CG LEU A 56 3.782 -6.771 -3.594 1.00 0.00 C ATOM 210 CD1 LEU A 56 3.889 -6.503 -2.088 1.00 0.00 C ATOM 211 CD2 LEU A 56 2.637 -7.765 -3.844 1.00 0.00 C ATOM 0 H LEU A 56 5.938 -5.234 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 56 3.829 -6.536 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.993 -4.621 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.437 -5.238 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 56 4.718 -7.192 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.083 -7.439 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.706 -5.806 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.955 -6.073 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.840 -8.695 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.700 -7.339 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.558 -7.968 -4.912 1.00 0.00 H new ATOM 223 N VAL A 57 3.462 -3.242 -6.339 1.00 0.00 N ATOM 224 CA VAL A 57 2.794 -2.183 -7.145 1.00 0.00 C ATOM 225 C VAL A 57 3.117 -2.394 -8.626 1.00 0.00 C ATOM 226 O VAL A 57 2.236 -2.443 -9.462 1.00 0.00 O ATOM 227 CB VAL A 57 3.302 -0.809 -6.702 1.00 0.00 C ATOM 228 CG1 VAL A 57 2.528 0.285 -7.440 1.00 0.00 C ATOM 229 CG2 VAL A 57 3.092 -0.648 -5.194 1.00 0.00 C ATOM 0 H VAL A 57 4.018 -2.904 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 57 1.716 -2.236 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 57 4.364 -0.725 -6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.890 1.263 -7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.675 0.173 -8.514 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.466 0.199 -7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.454 0.331 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.030 -0.734 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.642 -1.426 -4.665 1.00 0.00 H new ATOM 239 N ASP A 58 4.374 -2.521 -8.958 1.00 0.00 N ATOM 240 CA ASP A 58 4.752 -2.730 -10.386 1.00 0.00 C ATOM 241 C ASP A 58 4.582 -4.209 -10.745 1.00 0.00 C ATOM 242 O ASP A 58 3.679 -4.871 -10.275 1.00 0.00 O ATOM 243 CB ASP A 58 6.212 -2.315 -10.589 1.00 0.00 C ATOM 244 CG ASP A 58 6.492 -2.137 -12.084 1.00 0.00 C ATOM 245 OD1 ASP A 58 5.691 -2.604 -12.877 1.00 0.00 O ATOM 246 OD2 ASP A 58 7.503 -1.537 -12.410 1.00 0.00 O ATOM 0 H ASP A 58 5.155 -2.489 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 58 4.111 -2.126 -11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.414 -1.385 -10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.877 -3.071 -10.172 1.00 0.00 H new ATOM 251 N ASP A 59 5.444 -4.731 -11.576 1.00 0.00 N ATOM 252 CA ASP A 59 5.331 -6.166 -11.963 1.00 0.00 C ATOM 253 C ASP A 59 3.898 -6.464 -12.406 1.00 0.00 C ATOM 254 O ASP A 59 3.143 -5.575 -12.746 1.00 0.00 O ATOM 255 CB ASP A 59 5.687 -7.046 -10.763 1.00 0.00 C ATOM 256 CG ASP A 59 7.137 -6.785 -10.349 1.00 0.00 C ATOM 257 OD1 ASP A 59 7.973 -6.677 -11.231 1.00 0.00 O ATOM 258 OD2 ASP A 59 7.385 -6.698 -9.158 1.00 0.00 O ATOM 0 H ASP A 59 6.221 -4.226 -12.003 1.00 0.00 H new ATOM 0 HA ASP A 59 6.016 -6.376 -12.785 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.016 -6.833 -9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.554 -8.097 -11.018 1.00 0.00 H new ATOM 263 N ALA A 60 3.518 -7.717 -12.404 1.00 0.00 N ATOM 264 CA ALA A 60 2.131 -8.092 -12.823 1.00 0.00 C ATOM 265 C ALA A 60 1.612 -9.203 -11.909 1.00 0.00 C ATOM 266 O ALA A 60 2.165 -9.460 -10.860 1.00 0.00 O ATOM 267 CB ALA A 60 2.156 -8.595 -14.268 1.00 0.00 C ATOM 0 H ALA A 60 4.111 -8.500 -12.129 1.00 0.00 H new ATOM 0 HA ALA A 60 1.478 -7.222 -12.751 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.147 -8.869 -14.575 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.533 -7.808 -14.921 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.806 -9.467 -14.338 1.00 0.00 H new ATOM 273 N ASP A 61 0.553 -9.859 -12.301 1.00 0.00 N ATOM 274 CA ASP A 61 -0.010 -10.955 -11.459 1.00 0.00 C ATOM 275 C ASP A 61 -0.497 -10.378 -10.125 1.00 0.00 C ATOM 276 O ASP A 61 -0.679 -11.091 -9.158 1.00 0.00 O ATOM 277 CB ASP A 61 1.069 -12.021 -11.204 1.00 0.00 C ATOM 278 CG ASP A 61 0.408 -13.348 -10.822 1.00 0.00 C ATOM 279 OD1 ASP A 61 0.077 -14.104 -11.721 1.00 0.00 O ATOM 280 OD2 ASP A 61 0.244 -13.586 -9.636 1.00 0.00 O ATOM 0 H ASP A 61 0.051 -9.683 -13.171 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.850 -11.416 -11.980 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.681 -12.153 -12.096 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.735 -11.693 -10.406 1.00 0.00 H new ATOM 285 N THR A 62 -0.711 -9.089 -10.069 1.00 0.00 N ATOM 286 CA THR A 62 -1.189 -8.449 -8.804 1.00 0.00 C ATOM 287 C THR A 62 -2.221 -7.374 -9.146 1.00 0.00 C ATOM 288 O THR A 62 -2.691 -6.655 -8.287 1.00 0.00 O ATOM 289 CB THR A 62 -0.002 -7.809 -8.080 1.00 0.00 C ATOM 290 OG1 THR A 62 0.599 -6.839 -8.926 1.00 0.00 O ATOM 291 CG2 THR A 62 1.024 -8.888 -7.727 1.00 0.00 C ATOM 0 H THR A 62 -0.575 -8.447 -10.850 1.00 0.00 H new ATOM 0 HA THR A 62 -1.644 -9.200 -8.158 1.00 0.00 H new ATOM 0 HB THR A 62 -0.349 -7.328 -7.165 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.219 -6.288 -8.403 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.869 -8.432 -7.211 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.561 -9.632 -7.078 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.373 -9.370 -8.640 1.00 0.00 H new ATOM 299 N ASN A 63 -2.582 -7.267 -10.394 1.00 0.00 N ATOM 300 CA ASN A 63 -3.590 -6.247 -10.791 1.00 0.00 C ATOM 301 C ASN A 63 -4.860 -6.450 -9.964 1.00 0.00 C ATOM 302 O ASN A 63 -5.113 -7.523 -9.458 1.00 0.00 O ATOM 303 CB ASN A 63 -3.917 -6.403 -12.278 1.00 0.00 C ATOM 304 CG ASN A 63 -2.659 -6.143 -13.109 1.00 0.00 C ATOM 305 OD1 ASN A 63 -1.516 -5.973 -12.504 1.00 0.00 O flip ATOM 306 ND2 ASN A 63 -2.718 -6.092 -14.321 1.00 0.00 N flip ATOM 0 H ASN A 63 -2.222 -7.842 -11.156 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.192 -5.248 -10.613 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.294 -7.407 -12.475 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.704 -5.705 -12.563 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.612 -6.225 -14.794 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.874 -5.916 -14.866 1.00 0.00 H new ATOM 313 N ARG A 64 -5.660 -5.427 -9.829 1.00 0.00 N ATOM 314 CA ARG A 64 -6.920 -5.540 -9.037 1.00 0.00 C ATOM 315 C ARG A 64 -6.575 -5.627 -7.540 1.00 0.00 C ATOM 316 O ARG A 64 -7.261 -5.064 -6.709 1.00 0.00 O ATOM 317 CB ARG A 64 -7.753 -6.755 -9.537 1.00 0.00 C ATOM 318 CG ARG A 64 -7.924 -7.835 -8.458 1.00 0.00 C ATOM 319 CD ARG A 64 -8.830 -8.954 -8.994 1.00 0.00 C ATOM 320 NE ARG A 64 -10.198 -8.794 -8.426 1.00 0.00 N ATOM 321 CZ ARG A 64 -11.203 -9.439 -8.954 1.00 0.00 C ATOM 322 NH1 ARG A 64 -11.007 -10.224 -9.980 1.00 0.00 N ATOM 323 NH2 ARG A 64 -12.402 -9.301 -8.458 1.00 0.00 N ATOM 0 H ARG A 64 -5.493 -4.508 -10.238 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.540 -4.654 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.735 -6.410 -9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.266 -7.191 -10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.952 -8.242 -8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.359 -7.400 -7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.869 -8.916 -10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.423 -9.928 -8.723 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.349 -8.181 -7.625 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.070 -10.332 -10.368 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.791 -10.728 -10.393 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.555 -8.689 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.186 -9.805 -8.872 1.00 0.00 H new ATOM 337 N LEU A 65 -5.521 -6.315 -7.183 1.00 0.00 N ATOM 338 CA LEU A 65 -5.154 -6.411 -5.739 1.00 0.00 C ATOM 339 C LEU A 65 -4.395 -5.148 -5.335 1.00 0.00 C ATOM 340 O LEU A 65 -4.616 -4.591 -4.280 1.00 0.00 O ATOM 341 CB LEU A 65 -4.261 -7.638 -5.494 1.00 0.00 C ATOM 342 CG LEU A 65 -4.806 -8.865 -6.239 1.00 0.00 C ATOM 343 CD1 LEU A 65 -3.842 -10.040 -6.055 1.00 0.00 C ATOM 344 CD2 LEU A 65 -6.179 -9.262 -5.686 1.00 0.00 C ATOM 0 H LEU A 65 -4.902 -6.811 -7.824 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.063 -6.512 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.245 -7.426 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.209 -7.849 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.903 -8.616 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.227 -10.912 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.864 -9.775 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.748 -10.271 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.550 -10.133 -6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.089 -9.502 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.876 -8.433 -5.812 1.00 0.00 H new ATOM 356 N ILE A 66 -3.497 -4.691 -6.166 1.00 0.00 N ATOM 357 CA ILE A 66 -2.721 -3.465 -5.826 1.00 0.00 C ATOM 358 C ILE A 66 -2.149 -2.855 -7.108 1.00 0.00 C ATOM 359 O ILE A 66 -1.564 -3.539 -7.924 1.00 0.00 O ATOM 360 CB ILE A 66 -1.580 -3.834 -4.870 1.00 0.00 C ATOM 361 CG1 ILE A 66 -0.694 -2.602 -4.632 1.00 0.00 C ATOM 362 CG2 ILE A 66 -0.745 -4.967 -5.479 1.00 0.00 C ATOM 363 CD1 ILE A 66 0.193 -2.822 -3.400 1.00 0.00 C ATOM 0 H ILE A 66 -3.268 -5.114 -7.065 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.374 -2.738 -5.342 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.995 -4.168 -3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.073 -2.416 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.316 -1.719 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.065 -5.228 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.378 -5.839 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.328 -4.640 -6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.817 -1.943 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.435 -2.986 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.828 -3.694 -3.560 1.00 0.00 H new ATOM 375 N CYS A 67 -2.318 -1.574 -7.296 1.00 0.00 N ATOM 376 CA CYS A 67 -1.786 -0.927 -8.529 1.00 0.00 C ATOM 377 C CYS A 67 -1.656 0.582 -8.306 1.00 0.00 C ATOM 378 O CYS A 67 -1.754 1.067 -7.197 1.00 0.00 O ATOM 379 CB CYS A 67 -2.745 -1.188 -9.694 1.00 0.00 C ATOM 380 SG CYS A 67 -4.444 -0.855 -9.162 1.00 0.00 S ATOM 0 H CYS A 67 -2.800 -0.949 -6.650 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.806 -1.343 -8.760 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.487 -0.553 -10.541 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.653 -2.221 -10.030 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.259 -1.074 -10.151 1.00 0.00 H new ATOM 386 N TRP A 68 -1.432 1.327 -9.356 1.00 0.00 N ATOM 387 CA TRP A 68 -1.291 2.807 -9.213 1.00 0.00 C ATOM 388 C TRP A 68 -2.673 3.462 -9.267 1.00 0.00 C ATOM 389 O TRP A 68 -3.575 2.979 -9.921 1.00 0.00 O ATOM 390 CB TRP A 68 -0.433 3.346 -10.360 1.00 0.00 C ATOM 391 CG TRP A 68 0.964 2.829 -10.229 1.00 0.00 C ATOM 392 CD1 TRP A 68 1.437 1.712 -10.830 1.00 0.00 C ATOM 393 CD2 TRP A 68 2.072 3.386 -9.465 1.00 0.00 C ATOM 394 NE1 TRP A 68 2.767 1.545 -10.484 1.00 0.00 N ATOM 395 CE2 TRP A 68 3.206 2.549 -9.645 1.00 0.00 C ATOM 396 CE3 TRP A 68 2.205 4.526 -8.639 1.00 0.00 C ATOM 397 CZ2 TRP A 68 4.432 2.834 -9.026 1.00 0.00 C ATOM 398 CZ3 TRP A 68 3.438 4.817 -8.015 1.00 0.00 C ATOM 399 CH2 TRP A 68 4.548 3.971 -8.208 1.00 0.00 C ATOM 0 H TRP A 68 -1.340 0.974 -10.309 1.00 0.00 H new ATOM 0 HA TRP A 68 -0.817 3.035 -8.258 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.856 3.042 -11.318 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.431 4.436 -10.345 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.869 1.058 -11.475 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.351 0.774 -10.809 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.358 5.178 -8.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 5.281 2.184 -9.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.530 5.691 -7.388 1.00 0.00 H new ATOM 0 HH2 TRP A 68 5.488 4.196 -7.727 1.00 0.00 H new ATOM 410 N THR A 69 -2.843 4.566 -8.586 1.00 0.00 N ATOM 411 CA THR A 69 -4.165 5.263 -8.598 1.00 0.00 C ATOM 412 C THR A 69 -4.176 6.313 -9.711 1.00 0.00 C ATOM 413 O THR A 69 -3.312 7.165 -9.782 1.00 0.00 O ATOM 414 CB THR A 69 -4.390 5.952 -7.251 1.00 0.00 C ATOM 415 OG1 THR A 69 -3.216 6.664 -6.882 1.00 0.00 O ATOM 416 CG2 THR A 69 -4.710 4.904 -6.185 1.00 0.00 C ATOM 0 H THR A 69 -2.123 5.016 -8.021 1.00 0.00 H new ATOM 0 HA THR A 69 -4.958 4.536 -8.773 1.00 0.00 H new ATOM 0 HB THR A 69 -5.225 6.647 -7.334 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.849 7.119 -7.668 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.870 5.397 -5.226 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.611 4.360 -6.468 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.877 4.206 -6.099 1.00 0.00 H new ATOM 424 N LYS A 70 -5.146 6.261 -10.582 1.00 0.00 N ATOM 425 CA LYS A 70 -5.209 7.257 -11.688 1.00 0.00 C ATOM 426 C LYS A 70 -3.844 7.346 -12.376 1.00 0.00 C ATOM 427 O LYS A 70 -3.400 6.412 -13.016 1.00 0.00 O ATOM 428 CB LYS A 70 -5.587 8.628 -11.120 1.00 0.00 C ATOM 429 CG LYS A 70 -7.024 8.584 -10.594 1.00 0.00 C ATOM 430 CD LYS A 70 -7.493 10.004 -10.271 1.00 0.00 C ATOM 431 CE LYS A 70 -8.945 9.965 -9.790 1.00 0.00 C ATOM 432 NZ LYS A 70 -9.100 8.893 -8.766 1.00 0.00 N ATOM 0 H LYS A 70 -5.898 5.572 -10.575 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.960 6.946 -12.414 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.903 8.902 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.494 9.392 -11.892 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.681 8.133 -11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.077 7.960 -9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.856 10.443 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.408 10.636 -11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.225 10.930 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.613 9.779 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.946 9.082 -8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.201 7.973 -9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.261 8.876 -8.152 1.00 0.00 H new ATOM 446 N ASP A 71 -3.173 8.459 -12.249 1.00 0.00 N ATOM 447 CA ASP A 71 -1.839 8.601 -12.896 1.00 0.00 C ATOM 448 C ASP A 71 -0.819 7.728 -12.161 1.00 0.00 C ATOM 449 O ASP A 71 -0.702 6.547 -12.416 1.00 0.00 O ATOM 450 CB ASP A 71 -1.396 10.064 -12.836 1.00 0.00 C ATOM 451 CG ASP A 71 0.015 10.195 -13.416 1.00 0.00 C ATOM 452 OD1 ASP A 71 0.960 9.963 -12.681 1.00 0.00 O ATOM 453 OD2 ASP A 71 0.125 10.526 -14.585 1.00 0.00 O ATOM 0 H ASP A 71 -3.491 9.275 -11.726 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.905 8.284 -13.937 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.091 10.689 -13.397 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.411 10.418 -11.805 1.00 0.00 H new ATOM 458 N GLY A 72 -0.081 8.301 -11.250 1.00 0.00 N ATOM 459 CA GLY A 72 0.930 7.502 -10.500 1.00 0.00 C ATOM 460 C GLY A 72 1.437 8.307 -9.303 1.00 0.00 C ATOM 461 O GLY A 72 2.609 8.293 -8.985 1.00 0.00 O ATOM 0 H GLY A 72 -0.134 9.287 -10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.488 6.565 -10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.762 7.243 -11.155 1.00 0.00 H new ATOM 465 N GLN A 73 0.563 9.012 -8.635 1.00 0.00 N ATOM 466 CA GLN A 73 0.990 9.822 -7.456 1.00 0.00 C ATOM 467 C GLN A 73 0.892 8.973 -6.188 1.00 0.00 C ATOM 468 O GLN A 73 1.300 9.388 -5.127 1.00 0.00 O ATOM 469 CB GLN A 73 0.081 11.045 -7.322 1.00 0.00 C ATOM 470 CG GLN A 73 -1.376 10.594 -7.215 1.00 0.00 C ATOM 471 CD GLN A 73 -2.286 11.822 -7.134 1.00 0.00 C ATOM 472 OE1 GLN A 73 -2.988 12.135 -8.075 1.00 0.00 O ATOM 473 NE2 GLN A 73 -2.302 12.536 -6.043 1.00 0.00 N ATOM 0 H GLN A 73 -0.432 9.062 -8.856 1.00 0.00 H new ATOM 0 HA GLN A 73 2.021 10.148 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.359 11.622 -6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.207 11.700 -8.184 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.644 9.986 -8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.511 9.970 -6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.713 12.273 -5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.904 13.357 -5.980 1.00 0.00 H new ATOM 482 N SER A 74 0.354 7.789 -6.287 1.00 0.00 N ATOM 483 CA SER A 74 0.237 6.921 -5.078 1.00 0.00 C ATOM 484 C SER A 74 -0.264 5.537 -5.501 1.00 0.00 C ATOM 485 O SER A 74 -0.091 5.128 -6.631 1.00 0.00 O ATOM 486 CB SER A 74 -0.744 7.546 -4.082 1.00 0.00 C ATOM 487 OG SER A 74 -2.060 7.098 -4.376 1.00 0.00 O ATOM 0 H SER A 74 -0.009 7.384 -7.150 1.00 0.00 H new ATOM 0 HA SER A 74 1.212 6.827 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.472 7.269 -3.063 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.696 8.633 -4.140 1.00 0.00 H new ATOM 0 HG SER A 74 -2.209 7.134 -5.344 1.00 0.00 H new ATOM 493 N PHE A 75 -0.886 4.806 -4.609 1.00 0.00 N ATOM 494 CA PHE A 75 -1.389 3.449 -4.987 1.00 0.00 C ATOM 495 C PHE A 75 -2.607 3.084 -4.132 1.00 0.00 C ATOM 496 O PHE A 75 -2.870 3.693 -3.115 1.00 0.00 O ATOM 497 CB PHE A 75 -0.279 2.414 -4.771 1.00 0.00 C ATOM 498 CG PHE A 75 0.011 2.270 -3.295 1.00 0.00 C ATOM 499 CD1 PHE A 75 0.831 3.211 -2.642 1.00 0.00 C ATOM 500 CD2 PHE A 75 -0.536 1.192 -2.572 1.00 0.00 C ATOM 501 CE1 PHE A 75 1.103 3.073 -1.267 1.00 0.00 C ATOM 502 CE2 PHE A 75 -0.263 1.055 -1.197 1.00 0.00 C ATOM 503 CZ PHE A 75 0.556 1.996 -0.545 1.00 0.00 C ATOM 0 H PHE A 75 -1.066 5.086 -3.645 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.682 3.456 -6.037 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.581 1.453 -5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.624 2.721 -5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.251 4.038 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.165 0.470 -3.072 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.732 3.794 -0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.682 0.228 -0.643 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.765 1.891 0.509 1.00 0.00 H new ATOM 513 N VAL A 76 -3.352 2.089 -4.546 1.00 0.00 N ATOM 514 CA VAL A 76 -4.561 1.663 -3.774 1.00 0.00 C ATOM 515 C VAL A 76 -4.614 0.136 -3.736 1.00 0.00 C ATOM 516 O VAL A 76 -3.875 -0.539 -4.425 1.00 0.00 O ATOM 517 CB VAL A 76 -5.821 2.210 -4.456 1.00 0.00 C ATOM 518 CG1 VAL A 76 -5.835 1.790 -5.926 1.00 0.00 C ATOM 519 CG2 VAL A 76 -7.079 1.674 -3.761 1.00 0.00 C ATOM 0 H VAL A 76 -3.173 1.549 -5.393 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.508 2.052 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.812 3.298 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.732 2.180 -6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.952 2.188 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.831 0.702 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.965 2.071 -4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.089 0.585 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.078 1.984 -2.716 1.00 0.00 H new ATOM 529 N ILE A 77 -5.484 -0.409 -2.930 1.00 0.00 N ATOM 530 CA ILE A 77 -5.605 -1.898 -2.823 1.00 0.00 C ATOM 531 C ILE A 77 -7.093 -2.271 -2.824 1.00 0.00 C ATOM 532 O ILE A 77 -7.635 -2.714 -1.832 1.00 0.00 O ATOM 533 CB ILE A 77 -4.941 -2.364 -1.517 1.00 0.00 C ATOM 534 CG1 ILE A 77 -3.669 -1.541 -1.274 1.00 0.00 C ATOM 535 CG2 ILE A 77 -4.576 -3.847 -1.616 1.00 0.00 C ATOM 536 CD1 ILE A 77 -2.932 -2.082 -0.047 1.00 0.00 C ATOM 0 H ILE A 77 -6.124 0.116 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.110 -2.383 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.637 -2.222 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.021 -1.588 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.926 -0.492 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.106 -4.169 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.479 -4.433 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.883 -3.997 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.029 -1.496 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.580 -2.012 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.661 -3.124 -0.215 1.00 0.00 H new ATOM 548 N GLN A 78 -7.751 -2.077 -3.939 1.00 0.00 N ATOM 549 CA GLN A 78 -9.208 -2.392 -4.038 1.00 0.00 C ATOM 550 C GLN A 78 -9.541 -3.694 -3.302 1.00 0.00 C ATOM 551 O GLN A 78 -10.294 -3.700 -2.349 1.00 0.00 O ATOM 552 CB GLN A 78 -9.594 -2.536 -5.512 1.00 0.00 C ATOM 553 CG GLN A 78 -9.132 -1.300 -6.284 1.00 0.00 C ATOM 554 CD GLN A 78 -9.686 -1.352 -7.709 1.00 0.00 C ATOM 555 OE1 GLN A 78 -10.877 -1.222 -7.914 1.00 0.00 O ATOM 556 NE2 GLN A 78 -8.869 -1.539 -8.708 1.00 0.00 N ATOM 0 H GLN A 78 -7.335 -1.709 -4.795 1.00 0.00 H new ATOM 0 HA GLN A 78 -9.769 -1.579 -3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -9.137 -3.432 -5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.673 -2.654 -5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.475 -0.395 -5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.043 -1.259 -6.307 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.870 -1.648 -8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.229 -1.576 -9.661 1.00 0.00 H new ATOM 565 N ASN A 79 -9.002 -4.797 -3.742 1.00 0.00 N ATOM 566 CA ASN A 79 -9.311 -6.090 -3.069 1.00 0.00 C ATOM 567 C ASN A 79 -8.477 -6.225 -1.794 1.00 0.00 C ATOM 568 O ASN A 79 -7.282 -6.013 -1.797 1.00 0.00 O ATOM 569 CB ASN A 79 -8.985 -7.248 -4.017 1.00 0.00 C ATOM 570 CG ASN A 79 -9.648 -8.529 -3.508 1.00 0.00 C ATOM 571 OD1 ASN A 79 -10.306 -8.506 -2.383 1.00 0.00 O flip ATOM 572 ND2 ASN A 79 -9.564 -9.563 -4.141 1.00 0.00 N flip ATOM 0 H ASN A 79 -8.364 -4.859 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 79 -10.369 -6.116 -2.809 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.338 -7.019 -5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.906 -7.386 -4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.049 -9.582 -5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.008 -10.412 -3.792 1.00 0.00 H new ATOM 579 N GLN A 80 -9.108 -6.584 -0.703 1.00 0.00 N ATOM 580 CA GLN A 80 -8.374 -6.750 0.591 1.00 0.00 C ATOM 581 C GLN A 80 -8.285 -8.241 0.921 1.00 0.00 C ATOM 582 O GLN A 80 -7.461 -8.668 1.706 1.00 0.00 O ATOM 583 CB GLN A 80 -9.140 -6.030 1.705 1.00 0.00 C ATOM 584 CG GLN A 80 -8.912 -4.521 1.591 1.00 0.00 C ATOM 585 CD GLN A 80 -9.594 -3.812 2.762 1.00 0.00 C ATOM 586 OE1 GLN A 80 -10.727 -3.385 2.651 1.00 0.00 O ATOM 587 NE2 GLN A 80 -8.949 -3.667 3.887 1.00 0.00 N ATOM 0 H GLN A 80 -10.109 -6.771 -0.653 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.373 -6.327 0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.204 -6.254 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.805 -6.386 2.679 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.844 -4.303 1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.312 -4.152 0.646 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.999 -4.025 3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.395 -3.195 4.674 1.00 0.00 H new ATOM 596 N ALA A 81 -9.135 -9.034 0.328 1.00 0.00 N ATOM 597 CA ALA A 81 -9.114 -10.497 0.603 1.00 0.00 C ATOM 598 C ALA A 81 -8.015 -11.164 -0.223 1.00 0.00 C ATOM 599 O ALA A 81 -6.974 -11.529 0.286 1.00 0.00 O ATOM 600 CB ALA A 81 -10.465 -11.106 0.223 1.00 0.00 C ATOM 0 H ALA A 81 -9.845 -8.729 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.920 -10.658 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.451 -12.177 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.254 -10.637 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.654 -10.938 -0.837 1.00 0.00 H new ATOM 606 N GLN A 82 -8.248 -11.338 -1.493 1.00 0.00 N ATOM 607 CA GLN A 82 -7.227 -11.996 -2.355 1.00 0.00 C ATOM 608 C GLN A 82 -5.928 -11.182 -2.329 1.00 0.00 C ATOM 609 O GLN A 82 -4.903 -11.617 -2.814 1.00 0.00 O ATOM 610 CB GLN A 82 -7.784 -12.117 -3.795 1.00 0.00 C ATOM 611 CG GLN A 82 -7.706 -13.571 -4.280 1.00 0.00 C ATOM 612 CD GLN A 82 -7.940 -13.625 -5.790 1.00 0.00 C ATOM 613 OE1 GLN A 82 -8.459 -12.693 -6.372 1.00 0.00 O ATOM 614 NE2 GLN A 82 -7.574 -14.687 -6.454 1.00 0.00 N ATOM 0 H GLN A 82 -9.102 -11.053 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.006 -12.996 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.818 -11.773 -3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.217 -11.472 -4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.731 -13.993 -4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.452 -14.177 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.138 -15.469 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.723 -14.735 -7.462 1.00 0.00 H new ATOM 623 N PHE A 83 -5.958 -10.012 -1.753 1.00 0.00 N ATOM 624 CA PHE A 83 -4.718 -9.187 -1.682 1.00 0.00 C ATOM 625 C PHE A 83 -3.856 -9.702 -0.525 1.00 0.00 C ATOM 626 O PHE A 83 -2.823 -9.148 -0.208 1.00 0.00 O ATOM 627 CB PHE A 83 -5.106 -7.712 -1.466 1.00 0.00 C ATOM 628 CG PHE A 83 -3.932 -6.925 -0.925 1.00 0.00 C ATOM 629 CD1 PHE A 83 -2.954 -6.418 -1.802 1.00 0.00 C ATOM 630 CD2 PHE A 83 -3.815 -6.707 0.461 1.00 0.00 C ATOM 631 CE1 PHE A 83 -1.859 -5.693 -1.291 1.00 0.00 C ATOM 632 CE2 PHE A 83 -2.721 -5.983 0.971 1.00 0.00 C ATOM 633 CZ PHE A 83 -1.743 -5.477 0.096 1.00 0.00 C ATOM 0 H PHE A 83 -6.785 -9.592 -1.329 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.149 -9.261 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.439 -7.277 -2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.944 -7.649 -0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.043 -6.585 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.565 -7.096 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.109 -5.303 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.633 -5.816 2.034 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.903 -4.923 0.488 1.00 0.00 H new ATOM 643 N ALA A 84 -4.274 -10.773 0.096 1.00 0.00 N ATOM 644 CA ALA A 84 -3.491 -11.352 1.228 1.00 0.00 C ATOM 645 C ALA A 84 -3.396 -12.861 1.039 1.00 0.00 C ATOM 646 O ALA A 84 -2.328 -13.432 1.040 1.00 0.00 O ATOM 647 CB ALA A 84 -4.202 -11.047 2.548 1.00 0.00 C ATOM 0 H ALA A 84 -5.131 -11.276 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.492 -10.917 1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.631 -11.469 3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.283 -9.968 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.199 -11.486 2.534 1.00 0.00 H new ATOM 653 N LYS A 85 -4.512 -13.509 0.875 1.00 0.00 N ATOM 654 CA LYS A 85 -4.508 -14.986 0.691 1.00 0.00 C ATOM 655 C LYS A 85 -3.529 -15.398 -0.419 1.00 0.00 C ATOM 656 O LYS A 85 -3.362 -16.569 -0.689 1.00 0.00 O ATOM 657 CB LYS A 85 -5.925 -15.436 0.314 1.00 0.00 C ATOM 658 CG LYS A 85 -6.004 -16.970 0.290 1.00 0.00 C ATOM 659 CD LYS A 85 -7.474 -17.426 0.359 1.00 0.00 C ATOM 660 CE LYS A 85 -7.947 -17.492 1.819 1.00 0.00 C ATOM 661 NZ LYS A 85 -9.311 -18.090 1.869 1.00 0.00 N ATOM 0 H LYS A 85 -5.435 -13.076 0.860 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.190 -15.460 1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.644 -15.038 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.194 -15.035 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.539 -17.352 -0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.447 -17.384 1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.102 -16.735 -0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.580 -18.405 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.254 -18.089 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.959 -16.493 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.634 -18.136 2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.968 -17.503 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.284 -19.049 1.469 1.00 0.00 H new ATOM 675 N GLU A 86 -2.881 -14.466 -1.080 1.00 0.00 N ATOM 676 CA GLU A 86 -1.940 -14.873 -2.173 1.00 0.00 C ATOM 677 C GLU A 86 -0.813 -13.846 -2.370 1.00 0.00 C ATOM 678 O GLU A 86 -0.138 -13.875 -3.379 1.00 0.00 O ATOM 679 CB GLU A 86 -2.721 -15.000 -3.485 1.00 0.00 C ATOM 680 CG GLU A 86 -3.696 -16.179 -3.402 1.00 0.00 C ATOM 681 CD GLU A 86 -4.215 -16.512 -4.802 1.00 0.00 C ATOM 682 OE1 GLU A 86 -3.400 -16.622 -5.704 1.00 0.00 O ATOM 683 OE2 GLU A 86 -5.418 -16.649 -4.949 1.00 0.00 O ATOM 0 H GLU A 86 -2.960 -13.463 -0.915 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.491 -15.825 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.268 -14.078 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.031 -15.146 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.197 -17.047 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.528 -15.931 -2.744 1.00 0.00 H new ATOM 690 N LEU A 87 -0.594 -12.943 -1.436 1.00 0.00 N ATOM 691 CA LEU A 87 0.507 -11.928 -1.615 1.00 0.00 C ATOM 692 C LEU A 87 1.429 -11.892 -0.388 1.00 0.00 C ATOM 693 O LEU A 87 2.624 -11.719 -0.520 1.00 0.00 O ATOM 694 CB LEU A 87 -0.098 -10.533 -1.821 1.00 0.00 C ATOM 695 CG LEU A 87 -0.898 -10.475 -3.134 1.00 0.00 C ATOM 696 CD1 LEU A 87 -1.510 -9.076 -3.283 1.00 0.00 C ATOM 697 CD2 LEU A 87 0.022 -10.763 -4.340 1.00 0.00 C ATOM 0 H LEU A 87 -1.122 -12.863 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 87 1.091 -12.217 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.748 -10.286 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.696 -9.786 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.684 -11.229 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.079 -9.025 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.172 -8.877 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.714 -8.331 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.560 -10.718 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.817 -10.019 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.459 -11.756 -4.235 1.00 0.00 H new ATOM 709 N LEU A 88 0.904 -12.030 0.804 1.00 0.00 N ATOM 710 CA LEU A 88 1.791 -11.974 2.012 1.00 0.00 C ATOM 711 C LEU A 88 2.368 -13.363 2.389 1.00 0.00 C ATOM 712 O LEU A 88 3.482 -13.423 2.868 1.00 0.00 O ATOM 713 CB LEU A 88 1.020 -11.391 3.208 1.00 0.00 C ATOM 714 CG LEU A 88 0.254 -10.134 2.776 1.00 0.00 C ATOM 715 CD1 LEU A 88 -0.614 -9.647 3.938 1.00 0.00 C ATOM 716 CD2 LEU A 88 1.241 -9.030 2.378 1.00 0.00 C ATOM 0 H LEU A 88 -0.087 -12.177 0.994 1.00 0.00 H new ATOM 0 HA LEU A 88 2.632 -11.328 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.325 -12.134 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.713 -11.146 4.013 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.377 -10.374 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.160 -8.754 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.322 -10.428 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.021 -9.412 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.689 -8.141 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.878 -8.787 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.859 -9.376 1.549 1.00 0.00 H new ATOM 728 N PRO A 89 1.626 -14.442 2.193 1.00 0.00 N ATOM 729 CA PRO A 89 2.132 -15.783 2.557 1.00 0.00 C ATOM 730 C PRO A 89 3.350 -16.145 1.695 1.00 0.00 C ATOM 731 O PRO A 89 3.901 -17.221 1.809 1.00 0.00 O ATOM 732 CB PRO A 89 0.943 -16.742 2.299 1.00 0.00 C ATOM 733 CG PRO A 89 -0.262 -15.871 1.842 1.00 0.00 C ATOM 734 CD PRO A 89 0.266 -14.437 1.620 1.00 0.00 C ATOM 0 HA PRO A 89 2.468 -15.838 3.592 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.199 -17.475 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.694 -17.298 3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.696 -16.267 0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.049 -15.878 2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.284 -14.182 0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.368 -13.701 2.114 1.00 0.00 H new ATOM 742 N LEU A 90 3.780 -15.255 0.843 1.00 0.00 N ATOM 743 CA LEU A 90 4.964 -15.556 -0.012 1.00 0.00 C ATOM 744 C LEU A 90 6.239 -15.351 0.810 1.00 0.00 C ATOM 745 O LEU A 90 6.572 -16.148 1.664 1.00 0.00 O ATOM 746 CB LEU A 90 4.976 -14.619 -1.224 1.00 0.00 C ATOM 747 CG LEU A 90 3.686 -14.796 -2.037 1.00 0.00 C ATOM 748 CD1 LEU A 90 3.530 -13.618 -3.003 1.00 0.00 C ATOM 749 CD2 LEU A 90 3.735 -16.105 -2.840 1.00 0.00 C ATOM 0 H LEU A 90 3.364 -14.334 0.702 1.00 0.00 H new ATOM 0 HA LEU A 90 4.913 -16.588 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.068 -13.584 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.842 -14.832 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 90 2.839 -14.832 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.615 -13.741 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.479 -12.688 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.385 -13.586 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.813 -16.216 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.584 -16.081 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.842 -16.947 -2.157 1.00 0.00 H new ATOM 761 N ASN A 91 6.954 -14.286 0.564 1.00 0.00 N ATOM 762 CA ASN A 91 8.206 -14.028 1.337 1.00 0.00 C ATOM 763 C ASN A 91 7.866 -13.204 2.581 1.00 0.00 C ATOM 764 O ASN A 91 8.693 -12.993 3.445 1.00 0.00 O ATOM 765 CB ASN A 91 9.192 -13.248 0.464 1.00 0.00 C ATOM 766 CG ASN A 91 8.458 -12.111 -0.250 1.00 0.00 C ATOM 767 OD1 ASN A 91 8.125 -11.112 0.357 1.00 0.00 O ATOM 768 ND2 ASN A 91 8.189 -12.221 -1.522 1.00 0.00 N ATOM 0 H ASN A 91 6.726 -13.583 -0.139 1.00 0.00 H new ATOM 0 HA ASN A 91 8.656 -14.975 1.634 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.997 -12.845 1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.651 -13.913 -0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.699 -11.469 -2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.468 -13.059 -2.032 1.00 0.00 H new ATOM 775 N TYR A 92 6.649 -12.737 2.675 1.00 0.00 N ATOM 776 CA TYR A 92 6.239 -11.921 3.859 1.00 0.00 C ATOM 777 C TYR A 92 5.695 -12.857 4.949 1.00 0.00 C ATOM 778 O TYR A 92 5.497 -12.457 6.078 1.00 0.00 O ATOM 779 CB TYR A 92 5.146 -10.912 3.414 1.00 0.00 C ATOM 780 CG TYR A 92 5.645 -9.484 3.547 1.00 0.00 C ATOM 781 CD1 TYR A 92 6.130 -9.024 4.787 1.00 0.00 C ATOM 782 CD2 TYR A 92 5.622 -8.618 2.435 1.00 0.00 C ATOM 783 CE1 TYR A 92 6.592 -7.700 4.916 1.00 0.00 C ATOM 784 CE2 TYR A 92 6.084 -7.294 2.565 1.00 0.00 C ATOM 785 CZ TYR A 92 6.568 -6.835 3.805 1.00 0.00 C ATOM 786 OH TYR A 92 7.019 -5.537 3.931 1.00 0.00 O ATOM 0 H TYR A 92 5.917 -12.886 1.980 1.00 0.00 H new ATOM 0 HA TYR A 92 7.091 -11.372 4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.863 -11.108 2.380 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.251 -11.047 4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 92 6.148 -9.687 5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.250 -8.970 1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 92 6.965 -7.348 5.867 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.067 -6.630 1.713 1.00 0.00 H new ATOM 0 HH TYR A 92 7.335 -5.388 4.847 1.00 0.00 H new ATOM 796 N LYS A 93 5.445 -14.094 4.618 1.00 0.00 N ATOM 797 CA LYS A 93 4.909 -15.043 5.636 1.00 0.00 C ATOM 798 C LYS A 93 3.689 -14.420 6.317 1.00 0.00 C ATOM 799 O LYS A 93 3.291 -13.323 5.990 1.00 0.00 O ATOM 800 CB LYS A 93 5.985 -15.336 6.684 1.00 0.00 C ATOM 801 CG LYS A 93 7.158 -16.087 6.032 1.00 0.00 C ATOM 802 CD LYS A 93 7.966 -16.841 7.105 1.00 0.00 C ATOM 803 CE LYS A 93 7.349 -18.224 7.362 1.00 0.00 C ATOM 804 NZ LYS A 93 7.795 -19.172 6.303 1.00 0.00 N ATOM 0 H LYS A 93 5.588 -14.489 3.688 1.00 0.00 H new ATOM 0 HA LYS A 93 4.620 -15.973 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.339 -14.404 7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.564 -15.933 7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.782 -16.790 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.804 -15.383 5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.001 -16.951 6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.982 -16.265 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.649 -18.591 8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.261 -18.153 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.377 -20.108 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.487 -18.823 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.832 -19.247 6.319 1.00 0.00 H new ATOM 818 N HIS A 94 3.103 -15.124 7.257 1.00 0.00 N ATOM 819 CA HIS A 94 1.897 -14.614 7.990 1.00 0.00 C ATOM 820 C HIS A 94 0.809 -14.158 7.005 1.00 0.00 C ATOM 821 O HIS A 94 1.015 -13.306 6.167 1.00 0.00 O ATOM 822 CB HIS A 94 2.289 -13.465 8.937 1.00 0.00 C ATOM 823 CG HIS A 94 2.549 -12.195 8.171 1.00 0.00 C ATOM 824 ND1 HIS A 94 1.530 -11.454 7.591 1.00 0.00 N ATOM 825 CD2 HIS A 94 3.709 -11.519 7.888 1.00 0.00 C ATOM 826 CE1 HIS A 94 2.093 -10.388 6.994 1.00 0.00 C ATOM 827 NE2 HIS A 94 3.420 -10.379 7.146 1.00 0.00 N ATOM 0 H HIS A 94 3.415 -16.049 7.553 1.00 0.00 H new ATOM 0 HA HIS A 94 1.490 -15.430 8.587 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.492 -13.299 9.662 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.180 -13.742 9.501 1.00 0.00 H new ATOM 0 HD1 HIS A 94 0.535 -11.677 7.613 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.698 -11.826 8.195 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.540 -9.632 6.457 1.00 0.00 H new ATOM 835 N ASN A 95 -0.361 -14.734 7.104 1.00 0.00 N ATOM 836 CA ASN A 95 -1.472 -14.351 6.181 1.00 0.00 C ATOM 837 C ASN A 95 -2.319 -13.249 6.823 1.00 0.00 C ATOM 838 O ASN A 95 -3.094 -12.588 6.160 1.00 0.00 O ATOM 839 CB ASN A 95 -2.352 -15.575 5.915 1.00 0.00 C ATOM 840 CG ASN A 95 -1.481 -16.731 5.422 1.00 0.00 C ATOM 841 OD1 ASN A 95 -0.188 -16.568 5.342 1.00 0.00 O flip ATOM 842 ND2 ASN A 95 -1.980 -17.792 5.106 1.00 0.00 N flip ATOM 0 H ASN A 95 -0.596 -15.455 7.786 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.054 -13.986 5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.877 -15.864 6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.112 -15.335 5.171 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.990 -17.919 5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.389 -18.556 4.778 1.00 0.00 H new ATOM 849 N ASN A 96 -2.180 -13.042 8.106 1.00 0.00 N ATOM 850 CA ASN A 96 -2.982 -11.977 8.780 1.00 0.00 C ATOM 851 C ASN A 96 -2.904 -10.687 7.959 1.00 0.00 C ATOM 852 O ASN A 96 -1.838 -10.151 7.726 1.00 0.00 O ATOM 853 CB ASN A 96 -2.429 -11.732 10.188 1.00 0.00 C ATOM 854 CG ASN A 96 -0.901 -11.702 10.139 1.00 0.00 C ATOM 855 OD1 ASN A 96 -0.321 -11.318 9.144 1.00 0.00 O ATOM 856 ND2 ASN A 96 -0.219 -12.096 11.179 1.00 0.00 N ATOM 0 H ASN A 96 -1.548 -13.562 8.715 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.022 -12.294 8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.809 -10.789 10.580 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.766 -12.518 10.864 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.801 -12.081 11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.705 -12.419 12.015 1.00 0.00 H new ATOM 863 N MET A 97 -4.025 -10.190 7.509 1.00 0.00 N ATOM 864 CA MET A 97 -4.020 -8.941 6.692 1.00 0.00 C ATOM 865 C MET A 97 -4.027 -7.716 7.613 1.00 0.00 C ATOM 866 O MET A 97 -3.113 -6.916 7.598 1.00 0.00 O ATOM 867 CB MET A 97 -5.265 -8.931 5.792 1.00 0.00 C ATOM 868 CG MET A 97 -5.444 -7.555 5.134 1.00 0.00 C ATOM 869 SD MET A 97 -3.888 -7.032 4.366 1.00 0.00 S ATOM 870 CE MET A 97 -4.410 -5.370 3.874 1.00 0.00 C ATOM 0 H MET A 97 -4.946 -10.596 7.672 1.00 0.00 H new ATOM 0 HA MET A 97 -3.122 -8.907 6.075 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.171 -9.698 5.024 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.149 -9.176 6.381 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.233 -7.601 4.383 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.756 -6.823 5.879 1.00 0.00 H new ATOM 0 HE1 MET A 97 -3.538 -4.719 3.810 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.901 -5.416 2.902 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.106 -4.973 4.614 1.00 0.00 H new ATOM 880 N ALA A 98 -5.054 -7.558 8.406 1.00 0.00 N ATOM 881 CA ALA A 98 -5.125 -6.379 9.323 1.00 0.00 C ATOM 882 C ALA A 98 -3.777 -6.181 10.019 1.00 0.00 C ATOM 883 O ALA A 98 -3.498 -5.131 10.564 1.00 0.00 O ATOM 884 CB ALA A 98 -6.210 -6.618 10.375 1.00 0.00 C ATOM 0 H ALA A 98 -5.849 -8.195 8.459 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.365 -5.487 8.744 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.263 -5.759 11.044 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.172 -6.753 9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.969 -7.512 10.950 1.00 0.00 H new ATOM 890 N SER A 99 -2.934 -7.176 9.999 1.00 0.00 N ATOM 891 CA SER A 99 -1.605 -7.034 10.653 1.00 0.00 C ATOM 892 C SER A 99 -0.700 -6.183 9.763 1.00 0.00 C ATOM 893 O SER A 99 0.044 -5.346 10.236 1.00 0.00 O ATOM 894 CB SER A 99 -0.978 -8.415 10.848 1.00 0.00 C ATOM 895 OG SER A 99 -0.861 -9.058 9.586 1.00 0.00 O ATOM 0 H SER A 99 -3.108 -8.079 9.559 1.00 0.00 H new ATOM 0 HA SER A 99 -1.723 -6.554 11.625 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.003 -8.320 11.313 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.592 -9.015 11.520 1.00 0.00 H new ATOM 0 HG SER A 99 -0.117 -9.696 9.612 1.00 0.00 H new ATOM 901 N PHE A 100 -0.760 -6.384 8.475 1.00 0.00 N ATOM 902 CA PHE A 100 0.094 -5.576 7.562 1.00 0.00 C ATOM 903 C PHE A 100 -0.336 -4.111 7.636 1.00 0.00 C ATOM 904 O PHE A 100 0.482 -3.215 7.644 1.00 0.00 O ATOM 905 CB PHE A 100 -0.050 -6.082 6.125 1.00 0.00 C ATOM 906 CG PHE A 100 0.753 -5.190 5.204 1.00 0.00 C ATOM 907 CD1 PHE A 100 2.152 -5.108 5.351 1.00 0.00 C ATOM 908 CD2 PHE A 100 0.106 -4.433 4.205 1.00 0.00 C ATOM 909 CE1 PHE A 100 2.902 -4.270 4.505 1.00 0.00 C ATOM 910 CE2 PHE A 100 0.858 -3.598 3.357 1.00 0.00 C ATOM 911 CZ PHE A 100 2.257 -3.517 3.508 1.00 0.00 C ATOM 0 H PHE A 100 -1.361 -7.070 8.018 1.00 0.00 H new ATOM 0 HA PHE A 100 1.136 -5.669 7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 100 0.301 -7.111 6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.099 -6.081 5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.649 -5.689 6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -0.966 -4.494 4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.974 -4.205 4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.363 -3.020 2.591 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.834 -2.876 2.858 1.00 0.00 H new ATOM 921 N ILE A 101 -1.612 -3.856 7.701 1.00 0.00 N ATOM 922 CA ILE A 101 -2.070 -2.443 7.788 1.00 0.00 C ATOM 923 C ILE A 101 -1.511 -1.840 9.078 1.00 0.00 C ATOM 924 O ILE A 101 -1.002 -0.737 9.090 1.00 0.00 O ATOM 925 CB ILE A 101 -3.617 -2.399 7.771 1.00 0.00 C ATOM 926 CG1 ILE A 101 -4.094 -2.607 6.319 1.00 0.00 C ATOM 927 CG2 ILE A 101 -4.130 -1.045 8.305 1.00 0.00 C ATOM 928 CD1 ILE A 101 -5.622 -2.476 6.219 1.00 0.00 C ATOM 0 H ILE A 101 -2.352 -4.558 7.698 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.711 -1.864 6.937 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.011 -3.185 8.415 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.619 -1.874 5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.786 -3.592 5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.220 -1.035 8.284 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.785 -0.904 9.329 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -3.748 -0.239 7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.933 -2.627 5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.094 -3.227 6.853 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.924 -1.482 6.547 1.00 0.00 H new ATOM 940 N ARG A 102 -1.594 -2.558 10.162 1.00 0.00 N ATOM 941 CA ARG A 102 -1.061 -2.028 11.443 1.00 0.00 C ATOM 942 C ARG A 102 0.384 -1.572 11.225 1.00 0.00 C ATOM 943 O ARG A 102 0.854 -0.647 11.856 1.00 0.00 O ATOM 944 CB ARG A 102 -1.126 -3.133 12.512 1.00 0.00 C ATOM 945 CG ARG A 102 -0.271 -2.762 13.751 1.00 0.00 C ATOM 946 CD ARG A 102 1.081 -3.491 13.705 1.00 0.00 C ATOM 947 NE ARG A 102 1.857 -3.173 14.935 1.00 0.00 N ATOM 948 CZ ARG A 102 2.889 -3.902 15.263 1.00 0.00 C ATOM 949 NH1 ARG A 102 3.239 -4.911 14.512 1.00 0.00 N ATOM 950 NH2 ARG A 102 3.569 -3.623 16.340 1.00 0.00 N ATOM 0 H ARG A 102 -2.008 -3.489 10.215 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.654 -1.179 11.782 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.161 -3.290 12.815 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.771 -4.073 12.090 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.110 -1.684 13.780 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.805 -3.029 14.663 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.924 -4.567 13.629 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.640 -3.187 12.820 1.00 0.00 H new ATOM 0 HE ARG A 102 1.582 -2.385 15.522 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.706 -5.129 13.670 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.045 -5.481 14.767 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.295 -2.835 16.927 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.375 -4.193 16.596 1.00 0.00 H new ATOM 964 N GLN A 103 1.087 -2.206 10.325 1.00 0.00 N ATOM 965 CA GLN A 103 2.490 -1.796 10.059 1.00 0.00 C ATOM 966 C GLN A 103 2.483 -0.524 9.203 1.00 0.00 C ATOM 967 O GLN A 103 3.401 0.270 9.241 1.00 0.00 O ATOM 968 CB GLN A 103 3.218 -2.915 9.314 1.00 0.00 C ATOM 969 CG GLN A 103 3.296 -4.155 10.207 1.00 0.00 C ATOM 970 CD GLN A 103 4.065 -5.261 9.482 1.00 0.00 C ATOM 971 OE1 GLN A 103 3.779 -5.530 8.238 1.00 0.00 O flip ATOM 972 NE2 GLN A 103 4.936 -5.887 10.053 1.00 0.00 N flip ATOM 0 H GLN A 103 0.748 -2.988 9.765 1.00 0.00 H new ATOM 0 HA GLN A 103 3.004 -1.602 11.001 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.693 -3.152 8.389 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.221 -2.590 9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.792 -3.909 11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.293 -4.499 10.457 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.160 -5.677 11.026 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.443 -6.622 9.560 1.00 0.00 H new ATOM 981 N LEU A 104 1.446 -0.319 8.435 1.00 0.00 N ATOM 982 CA LEU A 104 1.384 0.906 7.588 1.00 0.00 C ATOM 983 C LEU A 104 1.107 2.122 8.475 1.00 0.00 C ATOM 984 O LEU A 104 1.778 3.131 8.385 1.00 0.00 O ATOM 985 CB LEU A 104 0.260 0.776 6.550 1.00 0.00 C ATOM 986 CG LEU A 104 0.525 -0.405 5.604 1.00 0.00 C ATOM 987 CD1 LEU A 104 -0.615 -0.487 4.586 1.00 0.00 C ATOM 988 CD2 LEU A 104 1.864 -0.208 4.863 1.00 0.00 C ATOM 0 H LEU A 104 0.643 -0.944 8.358 1.00 0.00 H new ATOM 0 HA LEU A 104 2.336 1.028 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.695 0.635 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.182 1.698 5.974 1.00 0.00 H new ATOM 0 HG LEU A 104 0.579 -1.327 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.438 -1.322 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.560 -0.638 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.660 0.440 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.039 -1.052 4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.825 0.712 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.675 -0.145 5.588 1.00 0.00 H new ATOM 1000 N ASN A 105 0.126 2.041 9.333 1.00 0.00 N ATOM 1001 CA ASN A 105 -0.181 3.202 10.218 1.00 0.00 C ATOM 1002 C ASN A 105 0.946 3.370 11.235 1.00 0.00 C ATOM 1003 O ASN A 105 0.992 4.331 11.979 1.00 0.00 O ATOM 1004 CB ASN A 105 -1.500 2.953 10.952 1.00 0.00 C ATOM 1005 CG ASN A 105 -2.649 2.924 9.943 1.00 0.00 C ATOM 1006 OD1 ASN A 105 -2.431 2.736 8.762 1.00 0.00 O ATOM 1007 ND2 ASN A 105 -3.872 3.104 10.361 1.00 0.00 N ATOM 0 H ASN A 105 -0.474 1.226 9.459 1.00 0.00 H new ATOM 0 HA ASN A 105 -0.270 4.107 9.617 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -1.454 2.008 11.494 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.671 3.736 11.691 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.646 3.087 9.697 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.054 3.262 11.352 1.00 0.00 H new ATOM 1014 N MET A 106 1.857 2.440 11.269 1.00 0.00 N ATOM 1015 CA MET A 106 2.993 2.529 12.229 1.00 0.00 C ATOM 1016 C MET A 106 4.074 3.442 11.638 1.00 0.00 C ATOM 1017 O MET A 106 4.715 4.195 12.344 1.00 0.00 O ATOM 1018 CB MET A 106 3.539 1.107 12.460 1.00 0.00 C ATOM 1019 CG MET A 106 5.006 1.136 12.910 1.00 0.00 C ATOM 1020 SD MET A 106 5.504 -0.513 13.477 1.00 0.00 S ATOM 1021 CE MET A 106 4.451 -0.599 14.945 1.00 0.00 C ATOM 0 H MET A 106 1.864 1.615 10.669 1.00 0.00 H new ATOM 0 HA MET A 106 2.671 2.949 13.182 1.00 0.00 H new ATOM 0 HB2 MET A 106 2.936 0.602 13.214 1.00 0.00 H new ATOM 0 HB3 MET A 106 3.450 0.528 11.541 1.00 0.00 H new ATOM 0 HG2 MET A 106 5.643 1.455 12.085 1.00 0.00 H new ATOM 0 HG3 MET A 106 5.136 1.862 13.713 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.941 -1.203 15.709 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.281 0.406 15.330 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.496 -1.053 14.681 1.00 0.00 H new ATOM 1031 N TYR A 107 4.289 3.375 10.352 1.00 0.00 N ATOM 1032 CA TYR A 107 5.335 4.231 9.730 1.00 0.00 C ATOM 1033 C TYR A 107 4.798 5.653 9.540 1.00 0.00 C ATOM 1034 O TYR A 107 5.466 6.619 9.846 1.00 0.00 O ATOM 1035 CB TYR A 107 5.729 3.647 8.370 1.00 0.00 C ATOM 1036 CG TYR A 107 5.928 2.146 8.479 1.00 0.00 C ATOM 1037 CD1 TYR A 107 6.777 1.608 9.469 1.00 0.00 C ATOM 1038 CD2 TYR A 107 5.264 1.284 7.581 1.00 0.00 C ATOM 1039 CE1 TYR A 107 6.958 0.214 9.561 1.00 0.00 C ATOM 1040 CE2 TYR A 107 5.447 -0.110 7.674 1.00 0.00 C ATOM 1041 CZ TYR A 107 6.293 -0.643 8.664 1.00 0.00 C ATOM 1042 OH TYR A 107 6.475 -2.009 8.755 1.00 0.00 O ATOM 0 H TYR A 107 3.786 2.765 9.708 1.00 0.00 H new ATOM 0 HA TYR A 107 6.208 4.262 10.381 1.00 0.00 H new ATOM 0 HB2 TYR A 107 4.955 3.866 7.635 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.646 4.118 8.016 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.288 2.265 10.157 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.615 1.693 6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.607 -0.197 10.320 1.00 0.00 H new ATOM 0 HE2 TYR A 107 4.938 -0.769 6.986 1.00 0.00 H new ATOM 0 HH TYR A 107 6.826 -2.349 7.906 1.00 0.00 H new ATOM 1052 N GLY A 108 3.599 5.794 9.039 1.00 0.00 N ATOM 1053 CA GLY A 108 3.033 7.162 8.837 1.00 0.00 C ATOM 1054 C GLY A 108 2.043 7.146 7.671 1.00 0.00 C ATOM 1055 O GLY A 108 1.877 8.127 6.972 1.00 0.00 O ATOM 0 H GLY A 108 2.989 5.025 8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.533 7.497 9.746 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.836 7.871 8.635 1.00 0.00 H new ATOM 1059 N PHE A 109 1.381 6.044 7.456 1.00 0.00 N ATOM 1060 CA PHE A 109 0.399 5.963 6.340 1.00 0.00 C ATOM 1061 C PHE A 109 -0.958 6.468 6.834 1.00 0.00 C ATOM 1062 O PHE A 109 -1.300 6.306 7.989 1.00 0.00 O ATOM 1063 CB PHE A 109 0.258 4.502 5.904 1.00 0.00 C ATOM 1064 CG PHE A 109 1.456 4.078 5.078 1.00 0.00 C ATOM 1065 CD1 PHE A 109 2.741 4.048 5.657 1.00 0.00 C ATOM 1066 CD2 PHE A 109 1.286 3.700 3.731 1.00 0.00 C ATOM 1067 CE1 PHE A 109 3.850 3.640 4.889 1.00 0.00 C ATOM 1068 CE2 PHE A 109 2.395 3.295 2.965 1.00 0.00 C ATOM 1069 CZ PHE A 109 3.676 3.264 3.545 1.00 0.00 C ATOM 0 H PHE A 109 1.479 5.192 8.008 1.00 0.00 H new ATOM 0 HA PHE A 109 0.739 6.570 5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.168 3.861 6.781 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.655 4.376 5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.876 4.338 6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.302 3.721 3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.834 3.616 5.333 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.262 3.008 1.932 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.527 2.951 2.958 1.00 0.00 H new ATOM 1079 N HIS A 110 -1.744 7.063 5.967 1.00 0.00 N ATOM 1080 CA HIS A 110 -3.095 7.558 6.384 1.00 0.00 C ATOM 1081 C HIS A 110 -4.119 7.172 5.323 1.00 0.00 C ATOM 1082 O HIS A 110 -4.560 7.984 4.536 1.00 0.00 O ATOM 1083 CB HIS A 110 -3.077 9.079 6.574 1.00 0.00 C ATOM 1084 CG HIS A 110 -2.680 9.782 5.307 1.00 0.00 C ATOM 1085 ND1 HIS A 110 -3.420 10.324 4.285 1.00 0.00 N flip ATOM 1086 CD2 HIS A 110 -1.358 10.055 5.002 1.00 0.00 C flip ATOM 1087 CE1 HIS A 110 -2.572 10.927 3.361 1.00 0.00 C flip ATOM 1088 NE2 HIS A 110 -1.342 10.737 3.843 1.00 0.00 N flip ATOM 0 H HIS A 110 -1.508 7.227 4.988 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.366 7.101 7.336 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -4.063 9.420 6.888 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.381 9.340 7.371 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -4.437 10.290 4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -0.496 9.772 5.588 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -2.849 11.438 2.451 1.00 0.00 H new ATOM 1096 N LYS A 111 -4.505 5.926 5.304 1.00 0.00 N ATOM 1097 CA LYS A 111 -5.504 5.459 4.307 1.00 0.00 C ATOM 1098 C LYS A 111 -6.670 6.444 4.244 1.00 0.00 C ATOM 1099 O LYS A 111 -7.227 6.831 5.251 1.00 0.00 O ATOM 1100 CB LYS A 111 -6.021 4.080 4.722 1.00 0.00 C ATOM 1101 CG LYS A 111 -6.585 4.144 6.153 1.00 0.00 C ATOM 1102 CD LYS A 111 -6.687 2.733 6.757 1.00 0.00 C ATOM 1103 CE LYS A 111 -7.909 2.008 6.190 1.00 0.00 C ATOM 1104 NZ LYS A 111 -7.933 0.607 6.700 1.00 0.00 N ATOM 0 H LYS A 111 -4.167 5.207 5.943 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.036 5.396 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -6.796 3.749 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.214 3.349 4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.943 4.767 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.569 4.613 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.782 2.167 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.764 2.798 7.842 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.822 2.528 6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.874 2.010 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.213 -0.037 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.986 0.346 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.616 0.533 7.480 1.00 0.00 H new ATOM 1118 N ILE A 112 -7.041 6.850 3.063 1.00 0.00 N ATOM 1119 CA ILE A 112 -8.169 7.809 2.919 1.00 0.00 C ATOM 1120 C ILE A 112 -9.487 7.027 2.910 1.00 0.00 C ATOM 1121 O ILE A 112 -10.179 6.963 1.914 1.00 0.00 O ATOM 1122 CB ILE A 112 -8.015 8.593 1.609 1.00 0.00 C ATOM 1123 CG1 ILE A 112 -6.620 9.251 1.552 1.00 0.00 C ATOM 1124 CG2 ILE A 112 -9.081 9.692 1.547 1.00 0.00 C ATOM 1125 CD1 ILE A 112 -5.513 8.201 1.297 1.00 0.00 C ATOM 0 H ILE A 112 -6.609 6.557 2.187 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.168 8.512 3.752 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.132 7.908 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.602 10.001 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.422 9.771 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.974 10.251 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -10.072 9.240 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.956 10.368 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.543 8.696 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.517 7.466 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.699 7.700 0.347 1.00 0.00 H new ATOM 1137 N THR A 113 -9.838 6.431 4.018 1.00 0.00 N ATOM 1138 CA THR A 113 -11.111 5.658 4.081 1.00 0.00 C ATOM 1139 C THR A 113 -11.532 5.494 5.544 1.00 0.00 C ATOM 1140 O THR A 113 -10.757 5.726 6.450 1.00 0.00 O ATOM 1141 CB THR A 113 -10.923 4.280 3.425 1.00 0.00 C ATOM 1142 OG1 THR A 113 -12.195 3.682 3.219 1.00 0.00 O ATOM 1143 CG2 THR A 113 -10.076 3.371 4.321 1.00 0.00 C ATOM 0 H THR A 113 -9.297 6.446 4.883 1.00 0.00 H new ATOM 0 HA THR A 113 -11.890 6.196 3.541 1.00 0.00 H new ATOM 0 HB THR A 113 -10.412 4.410 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.080 2.804 2.799 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.953 2.400 3.841 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.097 3.825 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.574 3.241 5.282 1.00 0.00 H new ATOM 1151 N SER A 114 -12.753 5.102 5.782 1.00 0.00 N ATOM 1152 CA SER A 114 -13.223 4.927 7.185 1.00 0.00 C ATOM 1153 C SER A 114 -13.082 6.252 7.940 1.00 0.00 C ATOM 1154 O SER A 114 -13.371 6.341 9.117 1.00 0.00 O ATOM 1155 CB SER A 114 -12.384 3.850 7.877 1.00 0.00 C ATOM 1156 OG SER A 114 -12.190 2.761 6.983 1.00 0.00 O ATOM 0 H SER A 114 -13.447 4.895 5.064 1.00 0.00 H new ATOM 0 HA SER A 114 -14.269 4.622 7.181 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.422 4.262 8.182 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.885 3.508 8.782 1.00 0.00 H new ATOM 0 HG SER A 114 -11.652 2.070 7.422 1.00 0.00 H new ATOM 1162 N ILE A 115 -12.640 7.284 7.270 1.00 0.00 N ATOM 1163 CA ILE A 115 -12.481 8.606 7.942 1.00 0.00 C ATOM 1164 C ILE A 115 -13.821 9.349 7.906 1.00 0.00 C ATOM 1165 O ILE A 115 -13.883 10.546 7.725 1.00 0.00 O ATOM 1166 CB ILE A 115 -11.389 9.406 7.209 1.00 0.00 C ATOM 1167 CG1 ILE A 115 -10.936 10.588 8.080 1.00 0.00 C ATOM 1168 CG2 ILE A 115 -11.907 9.916 5.850 1.00 0.00 C ATOM 1169 CD1 ILE A 115 -9.727 11.262 7.433 1.00 0.00 C ATOM 0 H ILE A 115 -12.382 7.267 6.283 1.00 0.00 H new ATOM 0 HA ILE A 115 -12.184 8.477 8.983 1.00 0.00 H new ATOM 0 HB ILE A 115 -10.539 8.749 7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.750 11.305 8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -10.680 10.239 9.080 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -11.120 10.479 5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -12.198 9.068 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -12.770 10.562 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -9.405 12.101 8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -8.913 10.542 7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -10.000 11.624 6.442 1.00 0.00 H new ATOM 1181 N ASP A 116 -14.898 8.633 8.078 1.00 0.00 N ATOM 1182 CA ASP A 116 -16.243 9.277 8.056 1.00 0.00 C ATOM 1183 C ASP A 116 -16.481 9.901 6.678 1.00 0.00 C ATOM 1184 O ASP A 116 -15.696 10.699 6.205 1.00 0.00 O ATOM 1185 CB ASP A 116 -16.317 10.362 9.141 1.00 0.00 C ATOM 1186 CG ASP A 116 -17.782 10.675 9.459 1.00 0.00 C ATOM 1187 OD1 ASP A 116 -18.468 11.164 8.577 1.00 0.00 O ATOM 1188 OD2 ASP A 116 -18.192 10.419 10.580 1.00 0.00 O ATOM 0 H ASP A 116 -14.905 7.625 8.234 1.00 0.00 H new ATOM 0 HA ASP A 116 -17.010 8.528 8.252 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -15.803 10.025 10.041 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -15.808 11.264 8.802 1.00 0.00 H new ATOM 1193 N ASN A 117 -17.558 9.540 6.033 1.00 0.00 N ATOM 1194 CA ASN A 117 -17.854 10.104 4.685 1.00 0.00 C ATOM 1195 C ASN A 117 -16.714 9.760 3.725 1.00 0.00 C ATOM 1196 O ASN A 117 -15.590 10.185 3.899 1.00 0.00 O ATOM 1197 CB ASN A 117 -18.003 11.627 4.784 1.00 0.00 C ATOM 1198 CG ASN A 117 -18.711 12.155 3.534 1.00 0.00 C ATOM 1199 OD1 ASN A 117 -19.846 11.811 3.273 1.00 0.00 O ATOM 1200 ND2 ASN A 117 -18.082 12.983 2.744 1.00 0.00 N ATOM 0 H ASN A 117 -18.248 8.876 6.384 1.00 0.00 H new ATOM 0 HA ASN A 117 -18.784 9.676 4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -18.573 11.890 5.675 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -17.023 12.093 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -18.544 13.341 1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -17.129 13.272 2.963 1.00 0.00 H new ATOM 1207 N GLY A 118 -16.997 8.991 2.709 1.00 0.00 N ATOM 1208 CA GLY A 118 -15.934 8.615 1.736 1.00 0.00 C ATOM 1209 C GLY A 118 -16.576 8.207 0.409 1.00 0.00 C ATOM 1210 O GLY A 118 -16.900 7.056 0.193 1.00 0.00 O ATOM 0 H GLY A 118 -17.921 8.606 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -15.255 9.454 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -15.339 7.792 2.132 1.00 0.00 H new ATOM 1214 N GLY A 119 -16.762 9.141 -0.483 1.00 0.00 N ATOM 1215 CA GLY A 119 -17.383 8.806 -1.797 1.00 0.00 C ATOM 1216 C GLY A 119 -18.670 8.013 -1.566 1.00 0.00 C ATOM 1217 O GLY A 119 -19.084 7.797 -0.445 1.00 0.00 O ATOM 0 H GLY A 119 -16.511 10.122 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -17.600 9.719 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -16.688 8.223 -2.402 1.00 0.00 H new ATOM 1221 N LEU A 120 -19.306 7.577 -2.624 1.00 0.00 N ATOM 1222 CA LEU A 120 -20.574 6.794 -2.483 1.00 0.00 C ATOM 1223 C LEU A 120 -20.580 5.659 -3.510 1.00 0.00 C ATOM 1224 O LEU A 120 -20.548 4.494 -3.165 1.00 0.00 O ATOM 1225 CB LEU A 120 -21.776 7.716 -2.734 1.00 0.00 C ATOM 1226 CG LEU A 120 -22.019 8.627 -1.512 1.00 0.00 C ATOM 1227 CD1 LEU A 120 -22.757 9.896 -1.951 1.00 0.00 C ATOM 1228 CD2 LEU A 120 -22.873 7.896 -0.464 1.00 0.00 C ATOM 0 H LEU A 120 -19.001 7.730 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 120 -20.639 6.380 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -21.597 8.325 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -22.666 7.118 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 120 -21.054 8.888 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -22.927 10.536 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -22.155 10.431 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -23.715 9.625 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -23.037 8.550 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -23.833 7.625 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -22.355 6.994 -0.138 1.00 0.00 H new ATOM 1240 N ARG A 121 -20.619 5.989 -4.773 1.00 0.00 N ATOM 1241 CA ARG A 121 -20.626 4.929 -5.820 1.00 0.00 C ATOM 1242 C ARG A 121 -19.214 4.363 -5.982 1.00 0.00 C ATOM 1243 O ARG A 121 -18.239 4.989 -5.618 1.00 0.00 O ATOM 1244 CB ARG A 121 -21.090 5.528 -7.149 1.00 0.00 C ATOM 1245 CG ARG A 121 -22.592 5.817 -7.087 1.00 0.00 C ATOM 1246 CD ARG A 121 -23.102 6.184 -8.481 1.00 0.00 C ATOM 1247 NE ARG A 121 -22.165 7.161 -9.130 1.00 0.00 N ATOM 1248 CZ ARG A 121 -21.872 8.305 -8.570 1.00 0.00 C ATOM 1249 NH1 ARG A 121 -22.520 8.713 -7.515 1.00 0.00 N ATOM 1250 NH2 ARG A 121 -20.958 9.069 -9.103 1.00 0.00 N ATOM 0 H ARG A 121 -20.646 6.946 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 121 -21.306 4.130 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -20.541 6.447 -7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.876 4.838 -7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -23.125 4.944 -6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.787 6.633 -6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.187 5.287 -9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.100 6.617 -8.410 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.747 6.926 -10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.263 8.138 -7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.284 9.607 -7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -20.477 8.772 -9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -20.725 9.963 -8.671 1.00 0.00 H new ATOM 1264 N PHE A 122 -19.099 3.181 -6.524 1.00 0.00 N ATOM 1265 CA PHE A 122 -17.752 2.570 -6.708 1.00 0.00 C ATOM 1266 C PHE A 122 -17.035 2.492 -5.360 1.00 0.00 C ATOM 1267 O PHE A 122 -15.898 2.072 -5.274 1.00 0.00 O ATOM 1268 CB PHE A 122 -16.930 3.422 -7.679 1.00 0.00 C ATOM 1269 CG PHE A 122 -15.716 2.642 -8.133 1.00 0.00 C ATOM 1270 CD1 PHE A 122 -15.868 1.561 -9.023 1.00 0.00 C ATOM 1271 CD2 PHE A 122 -14.434 2.993 -7.666 1.00 0.00 C ATOM 1272 CE1 PHE A 122 -14.741 0.833 -9.446 1.00 0.00 C ATOM 1273 CE2 PHE A 122 -13.306 2.264 -8.090 1.00 0.00 C ATOM 1274 CZ PHE A 122 -13.459 1.185 -8.979 1.00 0.00 C ATOM 0 H PHE A 122 -19.881 2.612 -6.848 1.00 0.00 H new ATOM 0 HA PHE A 122 -17.864 1.565 -7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -17.539 3.701 -8.539 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -16.620 4.348 -7.194 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -16.850 1.291 -9.381 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -14.316 3.821 -6.983 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -14.858 0.004 -10.129 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -12.323 2.534 -7.732 1.00 0.00 H new ATOM 0 HZ PHE A 122 -12.594 0.626 -9.304 1.00 0.00 H new ATOM 1284 N ASP A 123 -17.692 2.885 -4.302 1.00 0.00 N ATOM 1285 CA ASP A 123 -17.054 2.825 -2.957 1.00 0.00 C ATOM 1286 C ASP A 123 -17.311 1.447 -2.348 1.00 0.00 C ATOM 1287 O ASP A 123 -18.380 0.887 -2.493 1.00 0.00 O ATOM 1288 CB ASP A 123 -17.659 3.903 -2.055 1.00 0.00 C ATOM 1289 CG ASP A 123 -16.796 4.066 -0.802 1.00 0.00 C ATOM 1290 OD1 ASP A 123 -15.757 4.699 -0.901 1.00 0.00 O ATOM 1291 OD2 ASP A 123 -17.188 3.556 0.234 1.00 0.00 O ATOM 0 H ASP A 123 -18.646 3.246 -4.312 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.981 2.995 -3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -17.720 4.849 -2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -18.676 3.629 -1.775 1.00 0.00 H new ATOM 1296 N ARG A 124 -16.348 0.897 -1.662 1.00 0.00 N ATOM 1297 CA ARG A 124 -16.544 -0.440 -1.044 1.00 0.00 C ATOM 1298 C ARG A 124 -15.335 -0.733 -0.173 1.00 0.00 C ATOM 1299 O ARG A 124 -14.682 -1.748 -0.301 1.00 0.00 O ATOM 1300 CB ARG A 124 -16.665 -1.517 -2.121 1.00 0.00 C ATOM 1301 CG ARG A 124 -17.103 -2.851 -1.474 1.00 0.00 C ATOM 1302 CD ARG A 124 -18.636 -2.969 -1.441 1.00 0.00 C ATOM 1303 NE ARG A 124 -19.207 -2.035 -0.412 1.00 0.00 N ATOM 1304 CZ ARG A 124 -18.907 -2.135 0.857 1.00 0.00 C ATOM 1305 NH1 ARG A 124 -18.206 -3.145 1.295 1.00 0.00 N ATOM 1306 NH2 ARG A 124 -19.347 -1.241 1.698 1.00 0.00 N ATOM 0 H ARG A 124 -15.433 1.318 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 124 -17.460 -0.442 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -17.390 -1.212 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -15.710 -1.645 -2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -16.682 -3.686 -2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -16.708 -2.915 -0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -19.047 -2.735 -2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -18.924 -3.995 -1.211 1.00 0.00 H new ATOM 0 HE ARG A 124 -19.848 -1.301 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -17.887 -3.864 0.646 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -17.977 -3.215 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -19.923 -0.468 1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -19.115 -1.315 2.689 1.00 0.00 H new ATOM 1320 N ASP A 125 -15.034 0.179 0.689 1.00 0.00 N ATOM 1321 CA ASP A 125 -13.862 0.035 1.584 1.00 0.00 C ATOM 1322 C ASP A 125 -12.602 0.306 0.772 1.00 0.00 C ATOM 1323 O ASP A 125 -11.544 -0.233 1.028 1.00 0.00 O ATOM 1324 CB ASP A 125 -13.816 -1.371 2.208 1.00 0.00 C ATOM 1325 CG ASP A 125 -15.241 -1.868 2.458 1.00 0.00 C ATOM 1326 OD1 ASP A 125 -16.094 -1.042 2.741 1.00 0.00 O ATOM 1327 OD2 ASP A 125 -15.454 -3.064 2.364 1.00 0.00 O ATOM 0 H ASP A 125 -15.562 1.042 0.817 1.00 0.00 H new ATOM 0 HA ASP A 125 -13.936 0.750 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.292 -2.058 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -13.259 -1.346 3.145 1.00 0.00 H new ATOM 1332 N GLU A 126 -12.725 1.156 -0.203 1.00 0.00 N ATOM 1333 CA GLU A 126 -11.564 1.511 -1.061 1.00 0.00 C ATOM 1334 C GLU A 126 -10.368 1.845 -0.155 1.00 0.00 C ATOM 1335 O GLU A 126 -10.179 2.973 0.256 1.00 0.00 O ATOM 1336 CB GLU A 126 -11.969 2.726 -1.932 1.00 0.00 C ATOM 1337 CG GLU A 126 -11.755 2.421 -3.421 1.00 0.00 C ATOM 1338 CD GLU A 126 -12.663 1.265 -3.841 1.00 0.00 C ATOM 1339 OE1 GLU A 126 -13.837 1.511 -4.067 1.00 0.00 O ATOM 1340 OE2 GLU A 126 -12.170 0.152 -3.929 1.00 0.00 O ATOM 0 H GLU A 126 -13.596 1.628 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.278 0.686 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -13.015 2.975 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.380 3.597 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.974 3.305 -4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -10.712 2.163 -3.604 1.00 0.00 H new ATOM 1347 N ILE A 127 -9.570 0.863 0.163 1.00 0.00 N ATOM 1348 CA ILE A 127 -8.397 1.105 1.047 1.00 0.00 C ATOM 1349 C ILE A 127 -7.287 1.790 0.240 1.00 0.00 C ATOM 1350 O ILE A 127 -6.513 1.164 -0.455 1.00 0.00 O ATOM 1351 CB ILE A 127 -7.929 -0.243 1.622 1.00 0.00 C ATOM 1352 CG1 ILE A 127 -6.514 -0.121 2.221 1.00 0.00 C ATOM 1353 CG2 ILE A 127 -7.939 -1.295 0.514 1.00 0.00 C ATOM 1354 CD1 ILE A 127 -6.133 -1.408 2.988 1.00 0.00 C ATOM 0 H ILE A 127 -9.681 -0.100 -0.153 1.00 0.00 H new ATOM 0 HA ILE A 127 -8.663 1.762 1.875 1.00 0.00 H new ATOM 0 HB ILE A 127 -8.610 -0.542 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -5.791 0.062 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -6.471 0.736 2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -7.608 -2.252 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -8.950 -1.398 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -7.266 -0.987 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -5.131 -1.301 3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -6.845 -1.574 3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -6.155 -2.258 2.306 1.00 0.00 H new ATOM 1366 N GLU A 128 -7.211 3.086 0.324 1.00 0.00 N ATOM 1367 CA GLU A 128 -6.164 3.831 -0.434 1.00 0.00 C ATOM 1368 C GLU A 128 -4.933 4.030 0.455 1.00 0.00 C ATOM 1369 O GLU A 128 -4.962 3.774 1.641 1.00 0.00 O ATOM 1370 CB GLU A 128 -6.720 5.198 -0.853 1.00 0.00 C ATOM 1371 CG GLU A 128 -7.639 5.030 -2.067 1.00 0.00 C ATOM 1372 CD GLU A 128 -8.380 6.342 -2.332 1.00 0.00 C ATOM 1373 OE1 GLU A 128 -8.570 7.093 -1.391 1.00 0.00 O ATOM 1374 OE2 GLU A 128 -8.746 6.572 -3.474 1.00 0.00 O ATOM 0 H GLU A 128 -7.831 3.667 0.888 1.00 0.00 H new ATOM 0 HA GLU A 128 -5.881 3.264 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -7.271 5.646 -0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -5.901 5.876 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -7.055 4.747 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -8.353 4.227 -1.887 1.00 0.00 H new ATOM 1381 N PHE A 129 -3.856 4.490 -0.118 1.00 0.00 N ATOM 1382 CA PHE A 129 -2.615 4.721 0.675 1.00 0.00 C ATOM 1383 C PHE A 129 -1.770 5.765 -0.057 1.00 0.00 C ATOM 1384 O PHE A 129 -1.318 5.539 -1.166 1.00 0.00 O ATOM 1385 CB PHE A 129 -1.819 3.412 0.790 1.00 0.00 C ATOM 1386 CG PHE A 129 -2.395 2.530 1.879 1.00 0.00 C ATOM 1387 CD1 PHE A 129 -2.428 2.983 3.216 1.00 0.00 C ATOM 1388 CD2 PHE A 129 -2.881 1.243 1.565 1.00 0.00 C ATOM 1389 CE1 PHE A 129 -2.949 2.157 4.228 1.00 0.00 C ATOM 1390 CE2 PHE A 129 -3.398 0.418 2.580 1.00 0.00 C ATOM 1391 CZ PHE A 129 -3.434 0.877 3.911 1.00 0.00 C ATOM 0 H PHE A 129 -3.781 4.718 -1.109 1.00 0.00 H new ATOM 0 HA PHE A 129 -2.870 5.068 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -1.840 2.883 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -0.774 3.634 1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -2.053 3.965 3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -2.856 0.891 0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -2.976 2.507 5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -3.767 -0.568 2.339 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.835 0.244 4.689 1.00 0.00 H new ATOM 1401 N SER A 130 -1.556 6.914 0.536 1.00 0.00 N ATOM 1402 CA SER A 130 -0.745 7.955 -0.166 1.00 0.00 C ATOM 1403 C SER A 130 -0.027 8.851 0.843 1.00 0.00 C ATOM 1404 O SER A 130 -0.651 9.538 1.626 1.00 0.00 O ATOM 1405 CB SER A 130 -1.673 8.812 -1.028 1.00 0.00 C ATOM 1406 OG SER A 130 -0.897 9.559 -1.955 1.00 0.00 O ATOM 0 H SER A 130 -1.901 7.173 1.460 1.00 0.00 H new ATOM 0 HA SER A 130 0.001 7.461 -0.788 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.383 8.178 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.255 9.485 -0.398 1.00 0.00 H new ATOM 0 HG SER A 130 -1.489 10.108 -2.510 1.00 0.00 H new ATOM 1412 N HIS A 131 1.286 8.877 0.802 1.00 0.00 N ATOM 1413 CA HIS A 131 2.064 9.762 1.727 1.00 0.00 C ATOM 1414 C HIS A 131 3.209 10.404 0.907 1.00 0.00 C ATOM 1415 O HIS A 131 3.672 9.791 -0.030 1.00 0.00 O ATOM 1416 CB HIS A 131 2.603 8.941 2.912 1.00 0.00 C ATOM 1417 CG HIS A 131 3.608 7.921 2.459 1.00 0.00 C ATOM 1418 ND1 HIS A 131 4.970 8.155 2.527 1.00 0.00 N ATOM 1419 CD2 HIS A 131 3.471 6.639 1.990 1.00 0.00 C ATOM 1420 CE1 HIS A 131 5.596 7.036 2.116 1.00 0.00 C ATOM 1421 NE2 HIS A 131 4.726 6.081 1.776 1.00 0.00 N ATOM 0 H HIS A 131 1.854 8.320 0.164 1.00 0.00 H new ATOM 0 HA HIS A 131 1.433 10.547 2.144 1.00 0.00 H new ATOM 0 HB2 HIS A 131 3.063 9.609 3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 131 1.776 8.441 3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 131 2.530 6.139 1.814 1.00 0.00 H new ATOM 0 HE1 HIS A 131 6.669 6.924 2.067 1.00 0.00 H new ATOM 0 HE2 HIS A 131 4.937 5.144 1.433 1.00 0.00 H new ATOM 1429 N PRO A 132 3.603 11.635 1.229 1.00 0.00 N ATOM 1430 CA PRO A 132 4.658 12.354 0.461 1.00 0.00 C ATOM 1431 C PRO A 132 6.029 11.634 0.453 1.00 0.00 C ATOM 1432 O PRO A 132 7.056 12.283 0.442 1.00 0.00 O ATOM 1433 CB PRO A 132 4.772 13.741 1.151 1.00 0.00 C ATOM 1434 CG PRO A 132 3.880 13.706 2.421 1.00 0.00 C ATOM 1435 CD PRO A 132 3.037 12.416 2.360 1.00 0.00 C ATOM 0 HA PRO A 132 4.382 12.414 -0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 132 5.808 13.953 1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 132 4.447 14.533 0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 132 4.494 13.720 3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 132 3.235 14.584 2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.101 11.859 3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 132 1.983 12.641 2.195 1.00 0.00 H new ATOM 1443 N PHE A 133 6.087 10.324 0.428 1.00 0.00 N ATOM 1444 CA PHE A 133 7.431 9.657 0.392 1.00 0.00 C ATOM 1445 C PHE A 133 7.355 8.302 -0.335 1.00 0.00 C ATOM 1446 O PHE A 133 8.212 7.458 -0.166 1.00 0.00 O ATOM 1447 CB PHE A 133 7.951 9.460 1.826 1.00 0.00 C ATOM 1448 CG PHE A 133 8.567 10.747 2.329 1.00 0.00 C ATOM 1449 CD1 PHE A 133 7.753 11.742 2.904 1.00 0.00 C ATOM 1450 CD2 PHE A 133 9.956 10.950 2.224 1.00 0.00 C ATOM 1451 CE1 PHE A 133 8.328 12.938 3.374 1.00 0.00 C ATOM 1452 CE2 PHE A 133 10.532 12.147 2.694 1.00 0.00 C ATOM 1453 CZ PHE A 133 9.717 13.141 3.269 1.00 0.00 C ATOM 0 H PHE A 133 5.282 9.697 0.431 1.00 0.00 H new ATOM 0 HA PHE A 133 8.120 10.298 -0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 133 7.134 9.157 2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 133 8.690 8.659 1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 133 6.687 11.587 2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 133 10.581 10.188 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 133 7.703 13.700 3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 133 11.598 12.302 2.613 1.00 0.00 H new ATOM 0 HZ PHE A 133 10.157 14.059 3.629 1.00 0.00 H new ATOM 1463 N PHE A 134 6.357 8.082 -1.152 1.00 0.00 N ATOM 1464 CA PHE A 134 6.276 6.780 -1.889 1.00 0.00 C ATOM 1465 C PHE A 134 5.498 6.968 -3.197 1.00 0.00 C ATOM 1466 O PHE A 134 4.520 6.290 -3.442 1.00 0.00 O ATOM 1467 CB PHE A 134 5.576 5.738 -1.013 1.00 0.00 C ATOM 1468 CG PHE A 134 5.537 4.410 -1.734 1.00 0.00 C ATOM 1469 CD1 PHE A 134 6.708 3.637 -1.846 1.00 0.00 C ATOM 1470 CD2 PHE A 134 4.330 3.942 -2.291 1.00 0.00 C ATOM 1471 CE1 PHE A 134 6.674 2.398 -2.515 1.00 0.00 C ATOM 1472 CE2 PHE A 134 4.296 2.704 -2.960 1.00 0.00 C ATOM 1473 CZ PHE A 134 5.468 1.931 -3.071 1.00 0.00 C ATOM 0 H PHE A 134 5.600 8.739 -1.341 1.00 0.00 H new ATOM 0 HA PHE A 134 7.284 6.436 -2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 134 6.103 5.633 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.563 6.066 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 134 7.633 3.994 -1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 134 3.431 4.534 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 134 7.573 1.806 -2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 134 3.371 2.347 -3.388 1.00 0.00 H new ATOM 0 HZ PHE A 134 5.442 0.980 -3.583 1.00 0.00 H new ATOM 1483 N LYS A 135 5.906 7.887 -4.038 1.00 0.00 N ATOM 1484 CA LYS A 135 5.157 8.104 -5.315 1.00 0.00 C ATOM 1485 C LYS A 135 6.075 8.641 -6.418 1.00 0.00 C ATOM 1486 O LYS A 135 7.035 9.340 -6.160 1.00 0.00 O ATOM 1487 CB LYS A 135 4.050 9.104 -5.067 1.00 0.00 C ATOM 1488 CG LYS A 135 4.666 10.426 -4.627 1.00 0.00 C ATOM 1489 CD LYS A 135 3.565 11.351 -4.104 1.00 0.00 C ATOM 1490 CE LYS A 135 3.211 11.029 -2.640 1.00 0.00 C ATOM 1491 NZ LYS A 135 2.245 9.897 -2.582 1.00 0.00 N ATOM 0 H LYS A 135 6.716 8.490 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 135 4.751 7.147 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 135 3.461 9.246 -5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 135 3.371 8.731 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 135 5.410 10.252 -3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 135 5.183 10.895 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 135 3.891 12.388 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 135 2.676 11.249 -4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 135 4.115 10.774 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 135 2.781 11.908 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.576 10.051 -1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.722 9.840 -3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 2.761 9.008 -2.425 1.00 0.00 H new ATOM 1505 N ARG A 136 5.754 8.343 -7.651 1.00 0.00 N ATOM 1506 CA ARG A 136 6.565 8.850 -8.799 1.00 0.00 C ATOM 1507 C ARG A 136 8.035 8.445 -8.646 1.00 0.00 C ATOM 1508 O ARG A 136 8.503 8.151 -7.563 1.00 0.00 O ATOM 1509 CB ARG A 136 6.450 10.380 -8.852 1.00 0.00 C ATOM 1510 CG ARG A 136 6.766 10.882 -10.271 1.00 0.00 C ATOM 1511 CD ARG A 136 7.084 12.393 -10.247 1.00 0.00 C ATOM 1512 NE ARG A 136 6.356 13.093 -11.356 1.00 0.00 N ATOM 1513 CZ ARG A 136 6.350 12.617 -12.575 1.00 0.00 C ATOM 1514 NH1 ARG A 136 7.056 11.564 -12.880 1.00 0.00 N ATOM 1515 NH2 ARG A 136 5.652 13.219 -13.500 1.00 0.00 N ATOM 0 H ARG A 136 4.956 7.764 -7.914 1.00 0.00 H new ATOM 0 HA ARG A 136 6.186 8.414 -9.723 1.00 0.00 H new ATOM 0 HB2 ARG A 136 5.445 10.688 -8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 136 7.138 10.830 -8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 136 7.614 10.331 -10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.917 10.692 -10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 136 6.793 12.818 -9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 136 8.158 12.548 -10.352 1.00 0.00 H new ATOM 0 HE ARG A 136 5.855 13.959 -11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 136 7.620 11.103 -12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 136 7.044 11.201 -13.833 1.00 0.00 H new ATOM 0 HH21 ARG A 136 5.115 14.056 -13.271 1.00 0.00 H new ATOM 0 HH22 ARG A 136 5.643 12.853 -14.452 1.00 0.00 H new ATOM 1529 N ASN A 137 8.770 8.440 -9.728 1.00 0.00 N ATOM 1530 CA ASN A 137 10.210 8.071 -9.650 1.00 0.00 C ATOM 1531 C ASN A 137 10.892 8.979 -8.628 1.00 0.00 C ATOM 1532 O ASN A 137 10.792 10.189 -8.695 1.00 0.00 O ATOM 1533 CB ASN A 137 10.862 8.261 -11.022 1.00 0.00 C ATOM 1534 CG ASN A 137 12.354 7.933 -10.929 1.00 0.00 C ATOM 1535 OD1 ASN A 137 12.796 7.328 -9.973 1.00 0.00 O ATOM 1536 ND2 ASN A 137 13.154 8.311 -11.890 1.00 0.00 N ATOM 0 H ASN A 137 8.433 8.676 -10.661 1.00 0.00 H new ATOM 0 HA ASN A 137 10.313 7.029 -9.348 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.382 7.615 -11.757 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.725 9.287 -11.362 1.00 0.00 H new ATOM 0 HD21 ASN A 137 14.150 8.098 -11.838 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.782 8.819 -12.693 1.00 0.00 H new ATOM 1543 N SER A 138 11.565 8.411 -7.670 1.00 0.00 N ATOM 1544 CA SER A 138 12.228 9.251 -6.636 1.00 0.00 C ATOM 1545 C SER A 138 13.162 8.372 -5.780 1.00 0.00 C ATOM 1546 O SER A 138 12.778 7.932 -4.715 1.00 0.00 O ATOM 1547 CB SER A 138 11.141 9.874 -5.758 1.00 0.00 C ATOM 1548 OG SER A 138 10.699 8.924 -4.798 1.00 0.00 O ATOM 0 H SER A 138 11.685 7.404 -7.557 1.00 0.00 H new ATOM 0 HA SER A 138 12.822 10.036 -7.104 1.00 0.00 H new ATOM 0 HB2 SER A 138 11.529 10.760 -5.255 1.00 0.00 H new ATOM 0 HB3 SER A 138 10.303 10.199 -6.375 1.00 0.00 H new ATOM 0 HG SER A 138 11.463 8.615 -4.267 1.00 0.00 H new ATOM 1554 N PRO A 139 14.362 8.117 -6.266 1.00 0.00 N ATOM 1555 CA PRO A 139 15.328 7.276 -5.531 1.00 0.00 C ATOM 1556 C PRO A 139 15.777 7.970 -4.231 1.00 0.00 C ATOM 1557 O PRO A 139 16.875 7.752 -3.757 1.00 0.00 O ATOM 1558 CB PRO A 139 16.515 7.084 -6.509 1.00 0.00 C ATOM 1559 CG PRO A 139 16.191 7.891 -7.802 1.00 0.00 C ATOM 1560 CD PRO A 139 14.849 8.621 -7.570 1.00 0.00 C ATOM 0 HA PRO A 139 14.898 6.321 -5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 139 17.443 7.437 -6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 139 16.654 6.028 -6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 139 16.985 8.607 -8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 139 16.122 7.225 -8.662 1.00 0.00 H new ATOM 0 HD2 PRO A 139 14.986 9.702 -7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 139 14.138 8.405 -8.368 1.00 0.00 H new ATOM 1568 N PHE A 140 14.939 8.793 -3.646 1.00 0.00 N ATOM 1569 CA PHE A 140 15.317 9.485 -2.374 1.00 0.00 C ATOM 1570 C PHE A 140 14.103 9.516 -1.433 1.00 0.00 C ATOM 1571 O PHE A 140 14.068 10.267 -0.478 1.00 0.00 O ATOM 1572 CB PHE A 140 15.810 10.914 -2.690 1.00 0.00 C ATOM 1573 CG PHE A 140 14.648 11.877 -2.818 1.00 0.00 C ATOM 1574 CD1 PHE A 140 13.927 11.962 -4.026 1.00 0.00 C ATOM 1575 CD2 PHE A 140 14.287 12.689 -1.726 1.00 0.00 C ATOM 1576 CE1 PHE A 140 12.845 12.859 -4.138 1.00 0.00 C ATOM 1577 CE2 PHE A 140 13.207 13.582 -1.838 1.00 0.00 C ATOM 1578 CZ PHE A 140 12.485 13.667 -3.042 1.00 0.00 C ATOM 0 H PHE A 140 14.007 9.015 -3.996 1.00 0.00 H new ATOM 0 HA PHE A 140 16.125 8.945 -1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 140 16.482 11.253 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 140 16.384 10.907 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 140 14.203 11.341 -4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 140 14.841 12.626 -0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 140 12.293 12.926 -5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 140 12.931 14.203 -0.999 1.00 0.00 H new ATOM 0 HZ PHE A 140 11.654 14.352 -3.126 1.00 0.00 H new ATOM 1588 N LEU A 141 13.112 8.694 -1.696 1.00 0.00 N ATOM 1589 CA LEU A 141 11.890 8.651 -0.825 1.00 0.00 C ATOM 1590 C LEU A 141 11.727 7.243 -0.246 1.00 0.00 C ATOM 1591 O LEU A 141 10.678 6.896 0.259 1.00 0.00 O ATOM 1592 CB LEU A 141 10.639 8.980 -1.652 1.00 0.00 C ATOM 1593 CG LEU A 141 10.739 10.375 -2.286 1.00 0.00 C ATOM 1594 CD1 LEU A 141 9.412 10.712 -2.998 1.00 0.00 C ATOM 1595 CD2 LEU A 141 11.019 11.432 -1.208 1.00 0.00 C ATOM 0 H LEU A 141 13.097 8.046 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 141 12.006 9.382 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 141 10.510 8.231 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 141 9.756 8.930 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 141 11.557 10.377 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 141 9.482 11.702 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 141 9.218 9.973 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 141 8.597 10.700 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 141 11.087 12.416 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 141 10.209 11.431 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 141 11.959 11.201 -0.707 1.00 0.00 H new ATOM 1607 N LEU A 142 12.752 6.427 -0.319 1.00 0.00 N ATOM 1608 CA LEU A 142 12.662 5.034 0.219 1.00 0.00 C ATOM 1609 C LEU A 142 13.596 4.881 1.424 1.00 0.00 C ATOM 1610 O LEU A 142 13.289 4.191 2.376 1.00 0.00 O ATOM 1611 CB LEU A 142 13.090 4.055 -0.876 1.00 0.00 C ATOM 1612 CG LEU A 142 11.981 3.926 -1.935 1.00 0.00 C ATOM 1613 CD1 LEU A 142 12.542 3.189 -3.155 1.00 0.00 C ATOM 1614 CD2 LEU A 142 10.773 3.145 -1.370 1.00 0.00 C ATOM 0 H LEU A 142 13.653 6.669 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 142 11.638 4.828 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 142 14.012 4.401 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 142 13.301 3.079 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 142 11.644 4.923 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 142 11.763 3.092 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 142 13.380 3.752 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 142 12.883 2.198 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 142 10.001 3.066 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 142 11.093 2.146 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 142 10.372 3.671 -0.504 1.00 0.00 H new ATOM 1626 N ASP A 143 14.741 5.507 1.387 1.00 0.00 N ATOM 1627 CA ASP A 143 15.701 5.386 2.523 1.00 0.00 C ATOM 1628 C ASP A 143 15.390 6.426 3.606 1.00 0.00 C ATOM 1629 O ASP A 143 16.262 7.147 4.047 1.00 0.00 O ATOM 1630 CB ASP A 143 17.123 5.608 2.006 1.00 0.00 C ATOM 1631 CG ASP A 143 17.207 6.966 1.307 1.00 0.00 C ATOM 1632 OD1 ASP A 143 17.124 7.970 1.996 1.00 0.00 O ATOM 1633 OD2 ASP A 143 17.350 6.979 0.097 1.00 0.00 O ATOM 0 H ASP A 143 15.054 6.099 0.617 1.00 0.00 H new ATOM 0 HA ASP A 143 15.609 4.390 2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 143 17.832 5.569 2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 143 17.397 4.813 1.313 1.00 0.00 H new ATOM 1638 N GLN A 144 14.163 6.505 4.053 1.00 0.00 N ATOM 1639 CA GLN A 144 13.829 7.496 5.120 1.00 0.00 C ATOM 1640 C GLN A 144 12.524 7.098 5.820 1.00 0.00 C ATOM 1641 O GLN A 144 12.347 7.347 6.993 1.00 0.00 O ATOM 1642 CB GLN A 144 13.703 8.905 4.521 1.00 0.00 C ATOM 1643 CG GLN A 144 12.546 8.972 3.518 1.00 0.00 C ATOM 1644 CD GLN A 144 12.821 8.027 2.350 1.00 0.00 C ATOM 1645 OE1 GLN A 144 12.269 6.948 2.289 1.00 0.00 O ATOM 1646 NE2 GLN A 144 13.660 8.386 1.418 1.00 0.00 N ATOM 0 H GLN A 144 13.384 5.932 3.729 1.00 0.00 H new ATOM 0 HA GLN A 144 14.634 7.502 5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 144 13.541 9.630 5.318 1.00 0.00 H new ATOM 0 HB3 GLN A 144 14.635 9.179 4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 144 11.611 8.698 4.008 1.00 0.00 H new ATOM 0 HG3 GLN A 144 12.427 9.992 3.153 1.00 0.00 H new ATOM 0 HE21 GLN A 144 14.123 9.293 1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 144 13.853 7.759 0.637 1.00 0.00 H new ATOM 1655 N ILE A 145 11.613 6.476 5.119 1.00 0.00 N ATOM 1656 CA ILE A 145 10.331 6.063 5.769 1.00 0.00 C ATOM 1657 C ILE A 145 10.661 5.169 6.970 1.00 0.00 C ATOM 1658 O ILE A 145 10.692 3.959 6.863 1.00 0.00 O ATOM 1659 CB ILE A 145 9.465 5.283 4.766 1.00 0.00 C ATOM 1660 CG1 ILE A 145 9.234 6.141 3.507 1.00 0.00 C ATOM 1661 CG2 ILE A 145 8.112 4.944 5.407 1.00 0.00 C ATOM 1662 CD1 ILE A 145 8.795 5.254 2.334 1.00 0.00 C ATOM 0 H ILE A 145 11.698 6.237 4.131 1.00 0.00 H new ATOM 0 HA ILE A 145 9.780 6.944 6.098 1.00 0.00 H new ATOM 0 HB ILE A 145 9.977 4.361 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.473 6.895 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 145 10.149 6.673 3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.500 4.391 4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 145 8.273 4.335 6.296 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.601 5.865 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.635 5.872 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.570 4.517 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.868 4.743 2.592 1.00 0.00 H new ATOM 1674 N LYS A 146 10.926 5.758 8.112 1.00 0.00 N ATOM 1675 CA LYS A 146 11.279 4.950 9.326 1.00 0.00 C ATOM 1676 C LYS A 146 10.055 4.786 10.234 1.00 0.00 C ATOM 1677 O LYS A 146 8.939 5.085 9.859 1.00 0.00 O ATOM 1678 CB LYS A 146 12.421 5.647 10.090 1.00 0.00 C ATOM 1679 CG LYS A 146 11.904 6.841 10.916 1.00 0.00 C ATOM 1680 CD LYS A 146 11.108 7.798 10.025 1.00 0.00 C ATOM 1681 CE LYS A 146 10.829 9.093 10.792 1.00 0.00 C ATOM 1682 NZ LYS A 146 10.101 10.047 9.908 1.00 0.00 N ATOM 0 H LYS A 146 10.913 6.768 8.257 1.00 0.00 H new ATOM 0 HA LYS A 146 11.607 3.959 9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 146 12.908 4.930 10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 146 13.175 5.992 9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 146 11.274 6.483 11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 146 12.743 7.369 11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 146 11.667 8.015 9.115 1.00 0.00 H new ATOM 0 HD3 LYS A 146 10.170 7.334 9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 146 10.236 8.881 11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 146 11.765 9.537 11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 9.911 10.927 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 10.682 10.258 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 9.201 9.623 9.606 1.00 0.00 H new ATOM 1696 N ARG A 147 10.268 4.309 11.433 1.00 0.00 N ATOM 1697 CA ARG A 147 9.136 4.116 12.388 1.00 0.00 C ATOM 1698 C ARG A 147 8.905 5.413 13.169 1.00 0.00 C ATOM 1699 O ARG A 147 9.639 5.736 14.082 1.00 0.00 O ATOM 1700 CB ARG A 147 9.490 2.981 13.360 1.00 0.00 C ATOM 1701 CG ARG A 147 8.215 2.420 14.003 1.00 0.00 C ATOM 1702 CD ARG A 147 7.533 3.495 14.859 1.00 0.00 C ATOM 1703 NE ARG A 147 6.684 2.839 15.892 1.00 0.00 N ATOM 1704 CZ ARG A 147 6.246 3.528 16.910 1.00 0.00 C ATOM 1705 NH1 ARG A 147 6.552 4.791 17.023 1.00 0.00 N ATOM 1706 NH2 ARG A 147 5.504 2.953 17.816 1.00 0.00 N ATOM 0 H ARG A 147 11.184 4.043 11.794 1.00 0.00 H new ATOM 0 HA ARG A 147 8.228 3.859 11.842 1.00 0.00 H new ATOM 0 HB2 ARG A 147 10.018 2.189 12.829 1.00 0.00 H new ATOM 0 HB3 ARG A 147 10.164 3.351 14.133 1.00 0.00 H new ATOM 0 HG2 ARG A 147 7.531 2.074 13.228 1.00 0.00 H new ATOM 0 HG3 ARG A 147 8.461 1.556 14.620 1.00 0.00 H new ATOM 0 HD2 ARG A 147 8.283 4.126 15.336 1.00 0.00 H new ATOM 0 HD3 ARG A 147 6.924 4.144 14.230 1.00 0.00 H new ATOM 0 HE ARG A 147 6.445 1.851 15.804 1.00 0.00 H new ATOM 0 HH11 ARG A 147 7.134 5.240 16.316 1.00 0.00 H new ATOM 0 HH12 ARG A 147 6.210 5.329 17.819 1.00 0.00 H new ATOM 0 HH21 ARG A 147 5.266 1.965 17.729 1.00 0.00 H new ATOM 0 HH22 ARG A 147 5.162 3.491 18.612 1.00 0.00 H new ATOM 1720 N LYS A 148 7.891 6.156 12.823 1.00 0.00 N ATOM 1721 CA LYS A 148 7.617 7.428 13.552 1.00 0.00 C ATOM 1722 C LYS A 148 6.868 7.117 14.850 1.00 0.00 C ATOM 1723 O LYS A 148 7.270 7.526 15.922 1.00 0.00 O ATOM 1724 CB LYS A 148 6.760 8.346 12.676 1.00 0.00 C ATOM 1725 CG LYS A 148 6.346 9.589 13.478 1.00 0.00 C ATOM 1726 CD LYS A 148 5.889 10.710 12.525 1.00 0.00 C ATOM 1727 CE LYS A 148 7.095 11.541 12.065 1.00 0.00 C ATOM 1728 NZ LYS A 148 6.743 12.277 10.817 1.00 0.00 N ATOM 0 H LYS A 148 7.240 5.939 12.068 1.00 0.00 H new ATOM 0 HA LYS A 148 8.559 7.925 13.784 1.00 0.00 H new ATOM 0 HB2 LYS A 148 7.319 8.643 11.789 1.00 0.00 H new ATOM 0 HB3 LYS A 148 5.874 7.812 12.331 1.00 0.00 H new ATOM 0 HG2 LYS A 148 5.539 9.335 14.165 1.00 0.00 H new ATOM 0 HG3 LYS A 148 7.183 9.936 14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 148 5.385 10.279 11.660 1.00 0.00 H new ATOM 0 HD3 LYS A 148 5.166 11.352 13.028 1.00 0.00 H new ATOM 0 HE2 LYS A 148 7.385 12.244 12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 148 7.952 10.891 11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 7.559 12.840 10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 6.487 11.597 10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 5.937 12.908 11.002 1.00 0.00 H new TER 1742 LYS A 148