USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1060 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 94 ASN : amide:sc= -3.98! C(o=-11!,f=-21!) USER MOD Set 1.2: A 102 CYS SG : rot 36:sc= -6.57! USER MOD Set 2.1: A 99 THR OG1 : rot 124:sc= 0.34 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.314 USER MOD Set 3.1: A 86 CYS SG : rot -100:sc= -0.686 USER MOD Set 3.2: A 87 THR OG1 : rot -110:sc= -0.0607 USER MOD Set 4.1: A 42 ASN : amide:sc= -3.69! C(o=-14!,f=-7!) USER MOD Set 4.2: A 82 ASN : amide:sc= -9.85! C(o=-14!,f=-6.4!) USER MOD Single : A 6 SER OG : rot -150:sc= 0.0202! USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= -1.17 (180deg=-1.82!) USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= -5.33! (180deg=-5.44!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.725 K(o=-0.72,f=-2.2!) USER MOD Single : A 22 ASN : amide:sc= -2.68! C(o=-2.7!,f=-4.2!) USER MOD Single : A 23 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-6.4!) USER MOD Single : A 25 CYS SG : rot -33:sc= -0.853 USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= -1.46 (180deg=-3.11!) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.127 (180deg=-0.745) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -154:sc= -2.45! USER MOD Single : A 48 SER OG : rot -44:sc= 1.04 USER MOD Single : A 49 CYS SG : rot 145:sc= -0.157! USER MOD Single : A 52 TYR OH : rot 3:sc= 0.548 USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= -0.521 (180deg=-2.09) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.415 USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -3.31 (180deg=-4.74!) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= -0.016 (180deg=-0.258) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.83 K(o=-2.8,f=-4.4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.189 USER MOD Single : A 76 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.7!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= 0.867 (180deg=0.77) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 77:sc= 0.185 USER MOD Single : A 92 SER OG : rot -36:sc= 0.459 USER MOD Single : A 95 MET CE :methyl -143:sc= -1.47 (180deg=-3.76!) USER MOD Single : A 107 GLN : amide:sc= -2.72! K(o=-2.7!,f=-1.5) USER MOD Single : A 108 LYS NZ :NH3+ -136:sc= -3.4 (180deg=-7.54!) USER MOD Single : A 109 LYS NZ :NH3+ -134:sc= 0.0443 (180deg=-0.204) USER MOD Single : A 112 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.4) USER MOD Single : A 114 MET CE :methyl -164:sc= -1.64 (180deg=-2.4) USER MOD Single : A 116 LYS NZ :NH3+ -161:sc= -0.0439 (180deg=-0.4) USER MOD Single : A 118 SER OG : rot -55:sc= -0.731 USER MOD Single : A 119 TYR OH : rot -165:sc= -3.83! USER MOD Single : A 124 LYS NZ :NH3+ 177:sc= -0.832 (180deg=-0.869) USER MOD Single : A 125 SER OG : rot -44:sc= 0.816 USER MOD Single : A 128 TYR OH : rot 180:sc= -0.0205 USER MOD Single : A 132 THR OG1 : rot -177:sc= -0.243! USER MOD Single : A 133 ASN : amide:sc= -2.05! C(o=-2!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -7.788 2.631 -13.389 1.00 17.32 N ATOM 2 CA VAL A 5 -8.454 1.656 -12.470 1.00 16.53 C ATOM 3 C VAL A 5 -9.969 1.852 -12.541 1.00 15.62 C ATOM 4 O VAL A 5 -10.450 2.920 -12.865 1.00 15.21 O ATOM 5 CB VAL A 5 -7.970 1.895 -11.035 1.00 17.91 C ATOM 6 CG1 VAL A 5 -8.288 3.325 -10.587 1.00 18.70 C ATOM 7 CG2 VAL A 5 -8.665 0.908 -10.097 1.00 17.86 C ATOM 0 HA VAL A 5 -8.204 0.638 -12.769 1.00 16.53 H new ATOM 0 HB VAL A 5 -6.890 1.749 -11.002 1.00 17.91 H new ATOM 0 HG11 VAL A 5 -7.936 3.473 -9.566 1.00 18.70 H new ATOM 0 HG12 VAL A 5 -7.789 4.033 -11.249 1.00 18.70 H new ATOM 0 HG13 VAL A 5 -9.365 3.488 -10.627 1.00 18.70 H new ATOM 0 HG21 VAL A 5 -8.323 1.075 -9.075 1.00 17.86 H new ATOM 0 HG22 VAL A 5 -9.744 1.056 -10.148 1.00 17.86 H new ATOM 0 HG23 VAL A 5 -8.424 -0.111 -10.398 1.00 17.86 H new ATOM 17 N SER A 6 -10.723 0.831 -12.250 1.00 15.43 N ATOM 18 CA SER A 6 -12.207 0.957 -12.307 1.00 14.66 C ATOM 19 C SER A 6 -12.720 1.708 -11.072 1.00 13.40 C ATOM 20 O SER A 6 -12.031 1.845 -10.082 1.00 12.58 O ATOM 21 CB SER A 6 -12.831 -0.434 -12.348 1.00 15.49 C ATOM 22 OG SER A 6 -12.677 -1.051 -11.079 1.00 15.97 O ATOM 0 H SER A 6 -10.376 -0.088 -11.974 1.00 15.43 H new ATOM 0 HA SER A 6 -12.484 1.513 -13.203 1.00 14.66 H new ATOM 0 HB2 SER A 6 -13.888 -0.364 -12.606 1.00 15.49 H new ATOM 0 HB3 SER A 6 -12.353 -1.038 -13.120 1.00 15.49 H new ATOM 0 HG SER A 6 -12.615 -2.022 -11.193 1.00 15.97 H new ATOM 28 N GLN A 7 -13.930 2.195 -11.134 1.00 13.37 N ATOM 29 CA GLN A 7 -14.513 2.939 -9.978 1.00 12.23 C ATOM 30 C GLN A 7 -14.854 1.979 -8.835 1.00 11.36 C ATOM 31 O GLN A 7 -14.970 2.370 -7.697 1.00 10.97 O ATOM 32 CB GLN A 7 -15.785 3.660 -10.434 1.00 13.19 C ATOM 33 CG GLN A 7 -15.405 4.889 -11.262 1.00 13.36 C ATOM 34 CD GLN A 7 -16.673 5.572 -11.776 1.00 13.61 C ATOM 35 OE1 GLN A 7 -17.682 4.927 -11.987 1.00 13.82 O ATOM 36 NE2 GLN A 7 -16.667 6.859 -11.983 1.00 13.77 N ATOM 0 H GLN A 7 -14.546 2.109 -11.943 1.00 13.37 H new ATOM 0 HA GLN A 7 -13.781 3.662 -9.619 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -16.405 2.987 -11.026 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.376 3.960 -9.569 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -14.826 5.584 -10.655 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -14.773 4.595 -12.100 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -15.821 7.400 -11.806 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -17.509 7.325 -12.322 1.00 13.77 H new ATOM 45 N GLU A 8 -15.044 0.732 -9.125 1.00 13.01 N ATOM 46 CA GLU A 8 -15.396 -0.226 -8.041 1.00 12.24 C ATOM 47 C GLU A 8 -14.209 -0.405 -7.088 1.00 11.73 C ATOM 48 O GLU A 8 -14.376 -0.553 -5.893 1.00 11.71 O ATOM 49 CB GLU A 8 -15.766 -1.575 -8.657 1.00 13.27 C ATOM 50 CG GLU A 8 -17.088 -1.438 -9.417 1.00 13.55 C ATOM 51 CD GLU A 8 -16.857 -0.593 -10.671 1.00 14.55 C ATOM 52 OE1 GLU A 8 -15.747 -0.611 -11.175 1.00 14.92 O ATOM 53 OE2 GLU A 8 -17.792 0.058 -11.106 1.00 15.06 O ATOM 0 H GLU A 8 -14.973 0.330 -10.060 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.244 0.166 -7.479 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -14.978 -1.908 -9.332 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -15.858 -2.331 -7.877 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -17.468 -2.422 -9.691 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.841 -0.971 -8.782 1.00 13.55 H new ATOM 60 N GLU A 9 -13.016 -0.430 -7.611 1.00 11.46 N ATOM 61 CA GLU A 9 -11.820 -0.642 -6.744 1.00 11.12 C ATOM 62 C GLU A 9 -11.484 0.602 -5.902 1.00 10.28 C ATOM 63 O GLU A 9 -11.116 0.480 -4.752 1.00 10.32 O ATOM 64 CB GLU A 9 -10.623 -1.022 -7.632 1.00 12.40 C ATOM 65 CG GLU A 9 -10.687 -2.518 -7.994 1.00 13.24 C ATOM 66 CD GLU A 9 -12.102 -2.896 -8.446 1.00 14.08 C ATOM 67 OE1 GLU A 9 -12.914 -3.202 -7.589 1.00 14.26 O ATOM 68 OE2 GLU A 9 -12.347 -2.875 -9.641 1.00 14.68 O ATOM 0 H GLU A 9 -12.815 -0.313 -8.604 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.043 -1.447 -6.044 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -10.628 -0.419 -8.540 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -9.690 -0.805 -7.111 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -9.973 -2.738 -8.788 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -10.400 -3.120 -7.132 1.00 13.24 H new ATOM 75 N VAL A 10 -11.581 1.790 -6.439 1.00 9.75 N ATOM 76 CA VAL A 10 -11.226 2.981 -5.604 1.00 9.10 C ATOM 77 C VAL A 10 -12.145 3.072 -4.377 1.00 7.91 C ATOM 78 O VAL A 10 -11.695 3.389 -3.296 1.00 7.70 O ATOM 79 CB VAL A 10 -11.279 4.271 -6.431 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.176 4.223 -7.488 1.00 11.69 C ATOM 81 CG2 VAL A 10 -12.641 4.417 -7.114 1.00 11.17 C ATOM 0 H VAL A 10 -11.882 1.988 -7.393 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.202 2.857 -5.253 1.00 9.10 H new ATOM 0 HB VAL A 10 -11.132 5.127 -5.772 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.203 5.136 -8.084 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.206 4.138 -6.998 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -10.331 3.361 -8.137 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -12.659 5.338 -7.696 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -12.810 3.567 -7.775 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.425 4.450 -6.358 1.00 11.17 H new ATOM 91 N LYS A 11 -13.419 2.776 -4.497 1.00 7.38 N ATOM 92 CA LYS A 11 -14.278 2.838 -3.273 1.00 6.32 C ATOM 93 C LYS A 11 -13.716 1.852 -2.249 1.00 5.68 C ATOM 94 O LYS A 11 -13.649 2.136 -1.071 1.00 5.93 O ATOM 95 CB LYS A 11 -15.744 2.469 -3.588 1.00 8.26 C ATOM 96 CG LYS A 11 -16.517 3.679 -4.155 1.00 8.64 C ATOM 97 CD LYS A 11 -16.282 3.804 -5.655 1.00 9.23 C ATOM 98 CE LYS A 11 -16.824 5.150 -6.142 1.00 9.91 C ATOM 99 NZ LYS A 11 -16.597 5.276 -7.607 1.00 10.51 N ATOM 0 H LYS A 11 -13.888 2.503 -5.360 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.269 3.857 -2.886 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.769 1.650 -4.306 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.235 2.113 -2.682 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -17.582 3.564 -3.956 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -16.196 4.592 -3.653 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -15.217 3.726 -5.876 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -16.777 2.988 -6.181 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -17.888 5.227 -5.920 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -16.329 5.966 -5.615 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -16.422 6.273 -7.847 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -15.773 4.704 -7.881 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -17.437 4.939 -8.119 1.00 10.51 H new ATOM 113 N LYS A 12 -13.288 0.704 -2.699 1.00 5.08 N ATOM 114 CA LYS A 12 -12.710 -0.291 -1.755 1.00 4.72 C ATOM 115 C LYS A 12 -11.467 0.319 -1.116 1.00 4.34 C ATOM 116 O LYS A 12 -11.211 0.148 0.059 1.00 4.65 O ATOM 117 CB LYS A 12 -12.342 -1.572 -2.511 1.00 6.91 C ATOM 118 CG LYS A 12 -13.625 -2.294 -2.934 1.00 7.86 C ATOM 119 CD LYS A 12 -13.289 -3.502 -3.822 1.00 8.86 C ATOM 120 CE LYS A 12 -12.301 -4.434 -3.107 1.00 9.89 C ATOM 121 NZ LYS A 12 -10.909 -3.947 -3.332 1.00 10.82 N ATOM 0 H LYS A 12 -13.314 0.414 -3.676 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.437 -0.544 -0.983 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.740 -1.331 -3.387 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.737 -2.221 -1.878 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -14.173 -2.624 -2.051 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -14.276 -1.607 -3.474 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -14.201 -4.047 -4.066 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.860 -3.161 -4.764 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -12.520 -4.464 -2.040 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -12.407 -5.452 -3.483 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -10.259 -4.446 -2.692 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -10.632 -4.129 -4.318 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -10.864 -2.925 -3.143 1.00 10.82 H new ATOM 135 N TRP A 13 -10.702 1.047 -1.879 1.00 4.15 N ATOM 136 CA TRP A 13 -9.488 1.687 -1.311 1.00 3.58 C ATOM 137 C TRP A 13 -9.917 2.625 -0.183 1.00 2.38 C ATOM 138 O TRP A 13 -9.177 2.886 0.730 1.00 2.83 O ATOM 139 CB TRP A 13 -8.771 2.492 -2.396 1.00 4.70 C ATOM 140 CG TRP A 13 -8.379 1.604 -3.541 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.536 0.255 -3.594 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.761 1.987 -4.805 1.00 5.21 C ATOM 143 NE1 TRP A 13 -8.046 -0.205 -4.804 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.560 0.825 -5.583 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.356 3.224 -5.341 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -6.977 0.884 -6.848 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.769 3.287 -6.616 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.581 2.119 -7.368 1.00 6.26 C ATOM 0 H TRP A 13 -10.866 1.225 -2.870 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.810 0.923 -0.930 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.421 3.290 -2.754 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.884 2.967 -1.977 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.972 -0.358 -2.819 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -8.044 -1.185 -5.085 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.497 4.129 -4.769 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.832 -0.019 -7.422 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.461 4.241 -7.019 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -6.131 2.174 -8.348 1.00 6.26 H new ATOM 159 N ALA A 14 -11.111 3.138 -0.235 1.00 0.01 N ATOM 160 CA ALA A 14 -11.566 4.049 0.852 1.00 0.01 C ATOM 161 C ALA A 14 -12.049 3.210 2.039 1.00 0.01 C ATOM 162 O ALA A 14 -12.326 3.725 3.105 1.00 0.01 O ATOM 163 CB ALA A 14 -12.717 4.917 0.343 1.00 0.00 C ATOM 0 H ALA A 14 -11.790 2.969 -0.977 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.741 4.689 1.163 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -13.050 5.583 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.378 5.508 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.545 4.279 0.034 1.00 0.00 H new ATOM 169 N GLU A 15 -12.165 1.916 1.858 1.00 0.01 N ATOM 170 CA GLU A 15 -12.646 1.037 2.970 1.00 0.01 C ATOM 171 C GLU A 15 -11.463 0.416 3.729 1.00 0.01 C ATOM 172 O GLU A 15 -11.560 0.146 4.908 1.00 0.01 O ATOM 173 CB GLU A 15 -13.507 -0.088 2.391 1.00 0.01 C ATOM 174 CG GLU A 15 -14.723 0.506 1.676 1.00 0.01 C ATOM 175 CD GLU A 15 -15.675 1.123 2.702 1.00 0.01 C ATOM 176 OE1 GLU A 15 -15.609 0.729 3.854 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.454 1.980 2.317 1.00 0.01 O ATOM 0 H GLU A 15 -11.947 1.431 0.988 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.229 1.646 3.662 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.920 -0.686 1.694 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.833 -0.756 3.188 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -14.402 1.264 0.962 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -15.238 -0.269 1.108 1.00 0.01 H new ATOM 184 N SER A 16 -10.353 0.171 3.078 1.00 0.01 N ATOM 185 CA SER A 16 -9.204 -0.450 3.809 1.00 0.01 C ATOM 186 C SER A 16 -7.945 -0.484 2.932 1.00 0.00 C ATOM 187 O SER A 16 -8.009 -0.679 1.735 1.00 0.00 O ATOM 188 CB SER A 16 -9.577 -1.880 4.202 1.00 0.01 C ATOM 189 OG SER A 16 -10.083 -2.563 3.064 1.00 0.01 O ATOM 0 H SER A 16 -10.193 0.369 2.090 1.00 0.01 H new ATOM 0 HA SER A 16 -8.993 0.149 4.695 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.704 -2.401 4.595 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.324 -1.868 4.995 1.00 0.01 H new ATOM 0 HG SER A 16 -10.322 -3.480 3.312 1.00 0.01 H new ATOM 195 N LEU A 17 -6.801 -0.308 3.543 1.00 0.00 N ATOM 196 CA LEU A 17 -5.509 -0.329 2.790 1.00 0.00 C ATOM 197 C LEU A 17 -5.315 -1.672 2.099 1.00 0.01 C ATOM 198 O LEU A 17 -4.826 -1.740 0.990 1.00 0.00 O ATOM 199 CB LEU A 17 -4.361 -0.120 3.784 1.00 0.01 C ATOM 200 CG LEU A 17 -3.000 -0.136 3.065 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.877 1.067 2.125 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.891 -0.076 4.114 1.00 0.00 C ATOM 0 H LEU A 17 -6.706 -0.148 4.546 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.522 0.459 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.492 0.830 4.302 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.385 -0.902 4.543 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.915 -1.049 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.909 1.040 1.625 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.672 1.029 1.380 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -2.963 1.989 2.701 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.920 -0.087 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.991 0.840 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.970 -0.938 4.776 1.00 0.00 H new ATOM 214 N GLU A 18 -5.663 -2.739 2.751 1.00 0.01 N ATOM 215 CA GLU A 18 -5.460 -4.083 2.147 1.00 0.00 C ATOM 216 C GLU A 18 -5.947 -4.090 0.700 1.00 0.00 C ATOM 217 O GLU A 18 -5.278 -4.587 -0.180 1.00 0.01 O ATOM 218 CB GLU A 18 -6.255 -5.105 2.958 1.00 0.01 C ATOM 219 CG GLU A 18 -5.612 -5.257 4.337 1.00 0.01 C ATOM 220 CD GLU A 18 -6.400 -6.274 5.162 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.476 -6.654 4.728 1.00 0.01 O ATOM 222 OE2 GLU A 18 -5.916 -6.653 6.216 1.00 0.01 O ATOM 0 H GLU A 18 -6.082 -2.741 3.681 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.399 -4.333 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.291 -4.781 3.059 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.270 -6.065 2.442 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.577 -5.582 4.233 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.594 -4.295 4.849 1.00 0.01 H new ATOM 229 N ASN A 19 -7.094 -3.541 0.441 1.00 0.01 N ATOM 230 CA ASN A 19 -7.609 -3.522 -0.958 1.00 0.00 C ATOM 231 C ASN A 19 -6.691 -2.693 -1.867 1.00 0.00 C ATOM 232 O ASN A 19 -6.361 -3.094 -2.966 1.00 0.01 O ATOM 233 CB ASN A 19 -9.006 -2.906 -0.958 1.00 0.01 C ATOM 234 CG ASN A 19 -9.984 -3.873 -0.293 1.00 0.01 C ATOM 235 OD1 ASN A 19 -9.773 -5.068 -0.300 1.00 0.01 O ATOM 236 ND2 ASN A 19 -11.053 -3.403 0.288 1.00 0.01 N ATOM 0 H ASN A 19 -7.701 -3.103 1.134 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.640 -4.543 -1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.997 -1.956 -0.424 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.323 -2.695 -1.979 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -11.712 -4.040 0.736 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -11.230 -2.399 0.294 1.00 0.01 H new ATOM 243 N LEU A 20 -6.285 -1.536 -1.424 1.00 0.00 N ATOM 244 CA LEU A 20 -5.406 -0.675 -2.269 1.00 0.01 C ATOM 245 C LEU A 20 -4.097 -1.406 -2.593 1.00 0.01 C ATOM 246 O LEU A 20 -3.680 -1.466 -3.733 1.00 0.00 O ATOM 247 CB LEU A 20 -5.131 0.637 -1.516 1.00 0.00 C ATOM 248 CG LEU A 20 -4.048 1.481 -2.216 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.489 1.825 -3.636 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.848 2.785 -1.434 1.00 0.01 C ATOM 0 H LEU A 20 -6.524 -1.147 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.902 -0.451 -3.214 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -6.052 1.215 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.815 0.412 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.119 0.912 -2.252 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -3.717 2.421 -4.122 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -4.647 0.906 -4.201 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.418 2.393 -3.601 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -3.083 3.389 -1.923 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.786 3.340 -1.407 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.533 2.554 -0.416 1.00 0.01 H new ATOM 262 N ILE A 21 -3.433 -1.953 -1.609 1.00 0.01 N ATOM 263 CA ILE A 21 -2.147 -2.657 -1.887 1.00 0.00 C ATOM 264 C ILE A 21 -2.410 -4.042 -2.502 1.00 0.00 C ATOM 265 O ILE A 21 -1.526 -4.650 -3.070 1.00 0.00 O ATOM 266 CB ILE A 21 -1.345 -2.811 -0.587 1.00 0.00 C ATOM 267 CG1 ILE A 21 -2.120 -3.657 0.432 1.00 0.00 C ATOM 268 CG2 ILE A 21 -1.083 -1.429 0.010 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.208 -3.973 1.618 1.00 0.01 C ATOM 0 H ILE A 21 -3.723 -1.943 -0.631 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.574 -2.063 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.403 -3.310 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.005 -3.119 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.467 -4.580 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.514 -1.534 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.515 -0.828 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.033 -0.939 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.753 -4.574 2.346 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -0.337 -4.527 1.269 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -0.884 -3.043 2.085 1.00 0.01 H new ATOM 281 N ASN A 22 -3.605 -4.565 -2.377 1.00 0.00 N ATOM 282 CA ASN A 22 -3.884 -5.926 -2.941 1.00 0.01 C ATOM 283 C ASN A 22 -4.371 -5.825 -4.388 1.00 0.01 C ATOM 284 O ASN A 22 -4.506 -6.824 -5.066 1.00 0.01 O ATOM 285 CB ASN A 22 -4.958 -6.622 -2.101 1.00 0.01 C ATOM 286 CG ASN A 22 -4.379 -6.984 -0.732 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.178 -7.090 -0.576 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.187 -7.181 0.273 1.00 0.01 N ATOM 0 H ASN A 22 -4.394 -4.115 -1.913 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.959 -6.502 -2.918 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.822 -5.968 -1.981 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.307 -7.521 -2.609 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -4.811 -7.424 1.190 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.195 -7.092 0.142 1.00 0.01 H new ATOM 295 N HIS A 23 -4.635 -4.642 -4.878 1.00 0.01 N ATOM 296 CA HIS A 23 -5.112 -4.518 -6.291 1.00 0.01 C ATOM 297 C HIS A 23 -3.907 -4.307 -7.213 1.00 0.01 C ATOM 298 O HIS A 23 -2.983 -3.586 -6.893 1.00 0.01 O ATOM 299 CB HIS A 23 -6.078 -3.335 -6.418 1.00 0.00 C ATOM 300 CG HIS A 23 -6.767 -3.401 -7.755 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.478 -2.517 -8.783 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.723 -4.253 -8.250 1.00 0.01 C ATOM 303 CE1 HIS A 23 -7.245 -2.857 -9.835 1.00 0.01 C ATOM 304 NE2 HIS A 23 -8.024 -3.907 -9.564 1.00 0.01 N ATOM 0 H HIS A 23 -4.543 -3.763 -4.368 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.636 -5.430 -6.577 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.814 -3.363 -5.614 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.535 -2.395 -6.321 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.173 -5.068 -7.703 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -7.232 -2.342 -10.784 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -8.695 -4.358 -10.186 1.00 0.01 H new ATOM 312 N GLU A 24 -3.906 -4.952 -8.350 1.00 0.01 N ATOM 313 CA GLU A 24 -2.760 -4.819 -9.295 1.00 0.01 C ATOM 314 C GLU A 24 -2.598 -3.358 -9.717 1.00 0.01 C ATOM 315 O GLU A 24 -1.496 -2.856 -9.829 1.00 0.01 O ATOM 316 CB GLU A 24 -3.010 -5.687 -10.531 1.00 0.01 C ATOM 317 CG GLU A 24 -1.774 -5.659 -11.433 1.00 0.01 C ATOM 318 CD GLU A 24 -2.016 -6.535 -12.664 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.022 -7.226 -12.688 1.00 0.00 O ATOM 320 OE2 GLU A 24 -1.189 -6.505 -13.559 1.00 0.01 O ATOM 0 H GLU A 24 -4.655 -5.569 -8.666 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.848 -5.149 -8.798 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.231 -6.711 -10.231 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -3.880 -5.320 -11.076 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.558 -4.635 -11.739 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -0.903 -6.018 -10.885 1.00 0.01 H new ATOM 327 N CYS A 25 -3.679 -2.665 -9.947 1.00 0.01 N ATOM 328 CA CYS A 25 -3.560 -1.240 -10.355 1.00 0.01 C ATOM 329 C CYS A 25 -3.347 -0.402 -9.101 1.00 0.01 C ATOM 330 O CYS A 25 -2.774 0.668 -9.145 1.00 0.00 O ATOM 331 CB CYS A 25 -4.841 -0.790 -11.058 1.00 0.01 C ATOM 332 SG CYS A 25 -4.548 0.798 -11.879 1.00 0.00 S ATOM 0 H CYS A 25 -4.632 -3.021 -9.871 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.722 -1.117 -11.042 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -5.151 -1.538 -11.788 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.652 -0.695 -10.336 1.00 0.01 H new ATOM 0 HG CYS A 25 -3.706 1.499 -11.180 1.00 0.00 H new ATOM 338 N GLY A 26 -3.777 -0.898 -7.975 1.00 0.01 N ATOM 339 CA GLY A 26 -3.565 -0.145 -6.713 1.00 0.01 C ATOM 340 C GLY A 26 -2.069 -0.137 -6.416 1.00 0.01 C ATOM 341 O GLY A 26 -1.487 0.885 -6.121 1.00 0.01 O ATOM 0 H GLY A 26 -4.264 -1.789 -7.876 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.940 0.874 -6.809 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -4.114 -0.611 -5.894 1.00 0.01 H new ATOM 345 N LEU A 27 -1.438 -1.276 -6.515 1.00 0.01 N ATOM 346 CA LEU A 27 0.025 -1.339 -6.261 1.00 0.00 C ATOM 347 C LEU A 27 0.743 -0.427 -7.253 1.00 0.00 C ATOM 348 O LEU A 27 1.607 0.341 -6.888 1.00 0.00 O ATOM 349 CB LEU A 27 0.514 -2.779 -6.440 1.00 0.00 C ATOM 350 CG LEU A 27 0.016 -3.652 -5.276 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.129 -5.127 -5.666 1.00 0.00 C ATOM 352 CD2 LEU A 27 0.860 -3.395 -4.012 1.00 0.01 C ATOM 0 H LEU A 27 -1.875 -2.164 -6.761 1.00 0.01 H new ATOM 0 HA LEU A 27 0.237 -1.012 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.152 -3.180 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.603 -2.800 -6.481 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.023 -3.399 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.223 -5.749 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.479 -5.317 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.170 -5.367 -5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.495 -4.020 -3.197 1.00 0.01 H new ATOM 0 HD22 LEU A 27 1.903 -3.637 -4.216 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.780 -2.346 -3.728 1.00 0.01 H new ATOM 364 N ALA A 28 0.385 -0.487 -8.505 1.00 0.00 N ATOM 365 CA ALA A 28 1.056 0.398 -9.493 1.00 0.00 C ATOM 366 C ALA A 28 0.818 1.847 -9.080 1.00 0.01 C ATOM 367 O ALA A 28 1.724 2.656 -9.054 1.00 0.00 O ATOM 368 CB ALA A 28 0.467 0.164 -10.884 1.00 0.00 C ATOM 0 H ALA A 28 -0.335 -1.103 -8.883 1.00 0.00 H new ATOM 0 HA ALA A 28 2.124 0.181 -9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.963 0.816 -11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.618 -0.876 -11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.600 0.386 -10.869 1.00 0.00 H new ATOM 374 N ALA A 29 -0.396 2.172 -8.745 1.00 0.00 N ATOM 375 CA ALA A 29 -0.701 3.563 -8.319 1.00 0.01 C ATOM 376 C ALA A 29 -0.064 3.825 -6.955 1.00 0.00 C ATOM 377 O ALA A 29 0.467 4.888 -6.703 1.00 0.00 O ATOM 378 CB ALA A 29 -2.218 3.739 -8.211 1.00 0.01 C ATOM 0 H ALA A 29 -1.192 1.534 -8.748 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.302 4.265 -9.051 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.445 4.758 -7.899 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.677 3.546 -9.181 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.614 3.038 -7.476 1.00 0.01 H new ATOM 384 N PHE A 30 -0.127 2.872 -6.065 1.00 0.00 N ATOM 385 CA PHE A 30 0.461 3.081 -4.716 1.00 0.00 C ATOM 386 C PHE A 30 1.995 3.124 -4.798 1.00 0.00 C ATOM 387 O PHE A 30 2.630 3.923 -4.146 1.00 0.00 O ATOM 388 CB PHE A 30 0.014 1.960 -3.770 1.00 0.00 C ATOM 389 CG PHE A 30 0.285 2.370 -2.345 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.380 3.477 -1.801 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.195 1.652 -1.568 1.00 0.00 C ATOM 392 CE1 PHE A 30 -0.132 3.864 -0.485 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.441 2.038 -0.249 1.00 0.00 C ATOM 394 CZ PHE A 30 0.777 3.148 0.294 1.00 0.00 C ATOM 0 H PHE A 30 -0.560 1.961 -6.215 1.00 0.00 H new ATOM 0 HA PHE A 30 0.109 4.036 -4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.048 1.756 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.547 1.038 -4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.086 4.031 -2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.708 0.799 -1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.644 4.719 -0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.143 1.481 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.969 3.448 1.314 1.00 0.00 H new ATOM 404 N LYS A 31 2.599 2.281 -5.592 1.00 0.00 N ATOM 405 CA LYS A 31 4.089 2.300 -5.689 1.00 0.00 C ATOM 406 C LYS A 31 4.558 3.674 -6.174 1.00 0.00 C ATOM 407 O LYS A 31 5.466 4.263 -5.618 1.00 0.00 O ATOM 408 CB LYS A 31 4.551 1.233 -6.689 1.00 0.00 C ATOM 409 CG LYS A 31 4.349 -0.180 -6.113 1.00 0.00 C ATOM 410 CD LYS A 31 5.501 -0.548 -5.169 1.00 0.00 C ATOM 411 CE LYS A 31 5.415 -2.035 -4.826 1.00 0.01 C ATOM 412 NZ LYS A 31 4.087 -2.328 -4.219 1.00 0.00 N ATOM 0 H LYS A 31 2.131 1.586 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 31 4.513 2.094 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.993 1.334 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.603 1.385 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.402 -0.228 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.291 -0.905 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.458 -0.326 -5.641 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.447 0.051 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.556 -2.635 -5.725 1.00 0.01 H new ATOM 0 HE3 LYS A 31 6.211 -2.306 -4.133 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 4.193 -3.063 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.705 -1.463 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.434 -2.662 -4.957 1.00 0.00 H new ATOM 426 N ALA A 32 3.946 4.197 -7.199 1.00 0.00 N ATOM 427 CA ALA A 32 4.365 5.537 -7.701 1.00 0.00 C ATOM 428 C ALA A 32 3.978 6.600 -6.673 1.00 0.01 C ATOM 429 O ALA A 32 4.726 7.519 -6.400 1.00 0.00 O ATOM 430 CB ALA A 32 3.657 5.825 -9.026 1.00 0.00 C ATOM 0 H ALA A 32 3.179 3.759 -7.709 1.00 0.00 H new ATOM 0 HA ALA A 32 5.444 5.553 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.961 6.804 -9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.926 5.062 -9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.578 5.815 -8.872 1.00 0.00 H new ATOM 436 N PHE A 33 2.817 6.475 -6.097 1.00 0.00 N ATOM 437 CA PHE A 33 2.372 7.466 -5.079 1.00 0.00 C ATOM 438 C PHE A 33 3.363 7.470 -3.914 1.00 0.00 C ATOM 439 O PHE A 33 3.708 8.503 -3.378 1.00 0.00 O ATOM 440 CB PHE A 33 0.986 7.068 -4.584 1.00 0.00 C ATOM 441 CG PHE A 33 0.488 8.076 -3.583 1.00 0.00 C ATOM 442 CD1 PHE A 33 -0.154 9.236 -4.026 1.00 0.00 C ATOM 443 CD2 PHE A 33 0.655 7.846 -2.213 1.00 0.00 C ATOM 444 CE1 PHE A 33 -0.629 10.170 -3.100 1.00 0.01 C ATOM 445 CE2 PHE A 33 0.182 8.779 -1.286 1.00 0.00 C ATOM 446 CZ PHE A 33 -0.461 9.940 -1.729 1.00 0.00 C ATOM 0 H PHE A 33 2.153 5.725 -6.288 1.00 0.00 H new ATOM 0 HA PHE A 33 2.331 8.465 -5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.295 7.006 -5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.024 6.079 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.283 9.411 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.149 6.948 -1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.124 11.067 -3.442 1.00 0.01 H new ATOM 0 HE2 PHE A 33 0.313 8.604 -0.228 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.828 10.660 -1.012 1.00 0.00 H new ATOM 456 N LEU A 34 3.832 6.314 -3.524 1.00 0.00 N ATOM 457 CA LEU A 34 4.814 6.239 -2.404 1.00 0.00 C ATOM 458 C LEU A 34 6.058 7.038 -2.785 1.00 0.00 C ATOM 459 O LEU A 34 6.634 7.737 -1.977 1.00 0.00 O ATOM 460 CB LEU A 34 5.213 4.779 -2.175 1.00 0.00 C ATOM 461 CG LEU A 34 4.065 3.999 -1.502 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.253 2.482 -1.744 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.045 4.287 0.013 1.00 0.00 C ATOM 0 H LEU A 34 3.576 5.416 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 34 4.369 6.645 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.467 4.313 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.105 4.734 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 34 3.117 4.319 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.440 1.934 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.247 2.281 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.205 2.161 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.231 3.731 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.993 3.979 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.897 5.354 0.179 1.00 0.00 H new ATOM 475 N LYS A 35 6.470 6.940 -4.017 1.00 0.00 N ATOM 476 CA LYS A 35 7.673 7.694 -4.458 1.00 0.00 C ATOM 477 C LYS A 35 7.410 9.187 -4.254 1.00 0.01 C ATOM 478 O LYS A 35 8.269 9.928 -3.820 1.00 0.00 O ATOM 479 CB LYS A 35 7.933 7.401 -5.938 1.00 0.00 C ATOM 480 CG LYS A 35 9.293 7.967 -6.342 1.00 0.00 C ATOM 481 CD LYS A 35 9.577 7.618 -7.804 1.00 0.00 C ATOM 482 CE LYS A 35 11.020 7.988 -8.139 1.00 0.00 C ATOM 483 NZ LYS A 35 11.307 9.358 -7.629 1.00 0.01 N ATOM 0 H LYS A 35 6.025 6.370 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 35 8.547 7.395 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.908 6.326 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.147 7.844 -6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.303 9.049 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.074 7.558 -5.701 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.413 6.554 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.890 8.155 -8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.706 7.269 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.177 7.948 -9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.153 9.734 -8.102 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 10.496 9.978 -7.825 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 11.473 9.319 -6.603 1.00 0.01 H new ATOM 497 N SER A 36 6.216 9.628 -4.545 1.00 0.00 N ATOM 498 CA SER A 36 5.883 11.066 -4.351 1.00 0.00 C ATOM 499 C SER A 36 6.057 11.425 -2.873 1.00 0.00 C ATOM 500 O SER A 36 6.433 12.530 -2.535 1.00 0.00 O ATOM 501 CB SER A 36 4.437 11.327 -4.779 1.00 0.00 C ATOM 502 OG SER A 36 4.309 11.079 -6.174 1.00 0.00 O ATOM 0 H SER A 36 5.457 9.053 -4.909 1.00 0.00 H new ATOM 0 HA SER A 36 6.548 11.680 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.758 10.684 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.159 12.357 -4.554 1.00 0.00 H new ATOM 0 HG SER A 36 3.384 11.243 -6.452 1.00 0.00 H new ATOM 508 N GLU A 37 5.781 10.499 -1.988 1.00 0.00 N ATOM 509 CA GLU A 37 5.926 10.782 -0.522 1.00 0.00 C ATOM 510 C GLU A 37 7.246 10.196 -0.016 1.00 0.00 C ATOM 511 O GLU A 37 7.514 10.180 1.169 1.00 0.00 O ATOM 512 CB GLU A 37 4.767 10.135 0.240 1.00 0.00 C ATOM 513 CG GLU A 37 3.466 10.868 -0.088 1.00 0.00 C ATOM 514 CD GLU A 37 2.309 10.221 0.674 1.00 0.01 C ATOM 515 OE1 GLU A 37 2.566 9.299 1.431 1.00 0.00 O ATOM 516 OE2 GLU A 37 1.185 10.658 0.485 1.00 0.00 O ATOM 0 H GLU A 37 5.461 9.558 -2.216 1.00 0.00 H new ATOM 0 HA GLU A 37 5.917 11.860 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.682 9.083 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.957 10.173 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.551 11.920 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.275 10.830 -1.161 1.00 0.00 H new ATOM 523 N TYR A 38 8.076 9.726 -0.908 1.00 0.00 N ATOM 524 CA TYR A 38 9.390 9.155 -0.495 1.00 0.00 C ATOM 525 C TYR A 38 9.176 8.034 0.519 1.00 0.00 C ATOM 526 O TYR A 38 10.007 7.783 1.370 1.00 0.00 O ATOM 527 CB TYR A 38 10.243 10.264 0.117 1.00 0.00 C ATOM 528 CG TYR A 38 10.284 11.425 -0.845 1.00 0.00 C ATOM 529 CD1 TYR A 38 10.950 11.291 -2.069 1.00 0.00 C ATOM 530 CD2 TYR A 38 9.647 12.631 -0.525 1.00 0.00 C ATOM 531 CE1 TYR A 38 10.982 12.359 -2.971 1.00 0.00 C ATOM 532 CE2 TYR A 38 9.678 13.700 -1.427 1.00 0.00 C ATOM 533 CZ TYR A 38 10.345 13.565 -2.650 1.00 0.01 C ATOM 534 OH TYR A 38 10.374 14.618 -3.540 1.00 0.00 O ATOM 0 H TYR A 38 7.898 9.713 -1.912 1.00 0.00 H new ATOM 0 HA TYR A 38 9.901 8.741 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.825 10.579 1.073 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.251 9.900 0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.440 10.361 -2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.132 12.736 0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.497 12.254 -3.914 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.187 14.630 -1.180 1.00 0.00 H new ATOM 0 HH TYR A 38 9.884 15.378 -3.163 1.00 0.00 H new ATOM 544 N SER A 39 8.068 7.352 0.426 1.00 0.00 N ATOM 545 CA SER A 39 7.775 6.230 1.368 1.00 0.00 C ATOM 546 C SER A 39 8.024 4.902 0.649 1.00 0.00 C ATOM 547 O SER A 39 7.512 3.870 1.037 1.00 0.00 O ATOM 548 CB SER A 39 6.314 6.311 1.810 1.00 0.00 C ATOM 549 OG SER A 39 5.500 6.585 0.680 1.00 0.00 O ATOM 0 H SER A 39 7.343 7.525 -0.270 1.00 0.00 H new ATOM 0 HA SER A 39 8.420 6.299 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.009 5.373 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.191 7.092 2.560 1.00 0.00 H new ATOM 0 HG SER A 39 4.679 7.035 0.970 1.00 0.00 H new ATOM 555 N GLU A 40 8.798 4.921 -0.405 1.00 0.00 N ATOM 556 CA GLU A 40 9.066 3.659 -1.151 1.00 0.00 C ATOM 557 C GLU A 40 9.851 2.695 -0.265 1.00 0.00 C ATOM 558 O GLU A 40 9.755 1.499 -0.401 1.00 0.00 O ATOM 559 CB GLU A 40 9.856 3.959 -2.435 1.00 0.00 C ATOM 560 CG GLU A 40 11.293 4.397 -2.106 1.00 0.00 C ATOM 561 CD GLU A 40 11.259 5.659 -1.245 1.00 0.00 C ATOM 562 OE1 GLU A 40 10.362 6.460 -1.439 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.137 5.806 -0.409 1.00 0.00 O ATOM 0 H GLU A 40 9.254 5.753 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 40 8.117 3.200 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.878 3.072 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.353 4.743 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.816 3.599 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.846 4.587 -3.026 1.00 0.00 H new ATOM 570 N GLU A 41 10.624 3.191 0.649 1.00 0.00 N ATOM 571 CA GLU A 41 11.383 2.264 1.523 1.00 0.00 C ATOM 572 C GLU A 41 10.384 1.431 2.330 1.00 0.00 C ATOM 573 O GLU A 41 10.609 0.270 2.611 1.00 0.00 O ATOM 574 CB GLU A 41 12.293 3.064 2.460 1.00 0.00 C ATOM 575 CG GLU A 41 11.452 4.026 3.300 1.00 0.00 C ATOM 576 CD GLU A 41 12.379 4.948 4.095 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.569 4.680 4.117 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.884 5.908 4.661 1.00 0.00 O ATOM 0 H GLU A 41 10.764 4.185 0.829 1.00 0.00 H new ATOM 0 HA GLU A 41 12.007 1.604 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.846 2.387 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.029 3.621 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.800 4.615 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.808 3.466 3.978 1.00 0.00 H new ATOM 585 N ASN A 42 9.281 2.019 2.708 1.00 0.00 N ATOM 586 CA ASN A 42 8.262 1.269 3.499 1.00 0.00 C ATOM 587 C ASN A 42 7.689 0.085 2.704 1.00 0.00 C ATOM 588 O ASN A 42 7.490 -0.981 3.250 1.00 0.00 O ATOM 589 CB ASN A 42 7.122 2.212 3.893 1.00 0.00 C ATOM 590 CG ASN A 42 7.613 3.191 4.961 1.00 0.00 C ATOM 591 OD1 ASN A 42 8.601 2.939 5.625 1.00 0.00 O ATOM 592 ND2 ASN A 42 6.962 4.304 5.162 1.00 0.00 N ATOM 0 H ASN A 42 9.041 2.989 2.503 1.00 0.00 H new ATOM 0 HA ASN A 42 8.752 0.876 4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.770 2.759 3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.276 1.638 4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.282 4.960 5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.133 4.518 4.607 1.00 0.00 H new ATOM 599 N ILE A 43 7.398 0.243 1.432 1.00 0.00 N ATOM 600 CA ILE A 43 6.817 -0.914 0.684 1.00 0.00 C ATOM 601 C ILE A 43 7.892 -1.990 0.504 1.00 0.00 C ATOM 602 O ILE A 43 7.630 -3.167 0.655 1.00 0.00 O ATOM 603 CB ILE A 43 6.263 -0.467 -0.689 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.227 -1.499 -1.189 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.391 -0.348 -1.725 1.00 0.00 C ATOM 606 CD1 ILE A 43 3.864 -1.281 -0.507 1.00 0.00 C ATOM 0 H ILE A 43 7.534 1.099 0.894 1.00 0.00 H new ATOM 0 HA ILE A 43 5.985 -1.323 1.258 1.00 0.00 H new ATOM 0 HB ILE A 43 5.794 0.509 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.115 -1.414 -2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.584 -2.508 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.975 -0.032 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.120 0.388 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.880 -1.315 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.151 -2.019 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.975 -1.390 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.499 -0.279 -0.735 1.00 0.00 H new ATOM 618 N ASP A 44 9.104 -1.601 0.212 1.00 0.00 N ATOM 619 CA ASP A 44 10.177 -2.620 0.060 1.00 0.00 C ATOM 620 C ASP A 44 10.315 -3.329 1.401 1.00 0.00 C ATOM 621 O ASP A 44 10.451 -4.534 1.476 1.00 0.00 O ATOM 622 CB ASP A 44 11.495 -1.936 -0.306 1.00 0.00 C ATOM 623 CG ASP A 44 11.412 -1.392 -1.733 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.642 -1.932 -2.509 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.124 -0.444 -2.027 1.00 0.00 O ATOM 0 H ASP A 44 9.394 -0.633 0.074 1.00 0.00 H new ATOM 0 HA ASP A 44 9.931 -3.329 -0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.701 -1.124 0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.319 -2.645 -0.224 1.00 0.00 H new ATOM 630 N PHE A 45 10.242 -2.577 2.464 1.00 0.00 N ATOM 631 CA PHE A 45 10.323 -3.176 3.819 1.00 0.00 C ATOM 632 C PHE A 45 9.118 -4.097 4.008 1.00 0.00 C ATOM 633 O PHE A 45 9.223 -5.186 4.534 1.00 0.00 O ATOM 634 CB PHE A 45 10.295 -2.049 4.857 1.00 0.00 C ATOM 635 CG PHE A 45 10.344 -2.618 6.252 1.00 0.00 C ATOM 636 CD1 PHE A 45 9.153 -2.932 6.918 1.00 0.00 C ATOM 637 CD2 PHE A 45 11.576 -2.823 6.887 1.00 0.00 C ATOM 638 CE1 PHE A 45 9.191 -3.449 8.218 1.00 0.00 C ATOM 639 CE2 PHE A 45 11.615 -3.342 8.186 1.00 0.00 C ATOM 640 CZ PHE A 45 10.423 -3.655 8.853 1.00 0.00 C ATOM 0 H PHE A 45 10.129 -1.563 2.448 1.00 0.00 H new ATOM 0 HA PHE A 45 11.243 -3.749 3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.142 -1.380 4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.391 -1.453 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.204 -2.775 6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.495 -2.581 6.374 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.272 -3.689 8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.565 -3.501 8.675 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.454 -4.055 9.856 1.00 0.00 H new ATOM 650 N TRP A 46 7.969 -3.656 3.570 1.00 0.00 N ATOM 651 CA TRP A 46 6.742 -4.487 3.702 1.00 0.00 C ATOM 652 C TRP A 46 6.895 -5.776 2.893 1.00 0.00 C ATOM 653 O TRP A 46 6.564 -6.849 3.351 1.00 0.00 O ATOM 654 CB TRP A 46 5.540 -3.704 3.179 1.00 0.00 C ATOM 655 CG TRP A 46 4.311 -4.539 3.314 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.679 -4.798 4.479 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.553 -5.225 2.276 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.582 -5.600 4.225 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.462 -5.890 2.881 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.706 -5.335 0.881 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.553 -6.637 2.132 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.792 -6.086 0.123 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.718 -6.736 0.749 1.00 0.00 C ATOM 0 H TRP A 46 7.829 -2.749 3.124 1.00 0.00 H new ATOM 0 HA TRP A 46 6.592 -4.737 4.752 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.426 -2.775 3.738 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.695 -3.431 2.135 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.981 -4.437 5.451 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.940 -5.936 4.943 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.531 -4.839 0.391 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.727 -7.135 2.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.917 -6.163 -0.947 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.019 -7.313 0.161 1.00 0.00 H new ATOM 674 N ILE A 47 7.393 -5.680 1.685 1.00 0.00 N ATOM 675 CA ILE A 47 7.555 -6.903 0.845 1.00 0.00 C ATOM 676 C ILE A 47 8.509 -7.867 1.545 1.00 0.00 C ATOM 677 O ILE A 47 8.278 -9.058 1.594 1.00 0.00 O ATOM 678 CB ILE A 47 8.125 -6.513 -0.523 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.082 -5.702 -1.297 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.472 -7.778 -1.316 1.00 0.00 C ATOM 681 CD1 ILE A 47 7.726 -5.097 -2.546 1.00 0.00 C ATOM 0 H ILE A 47 7.693 -4.809 1.247 1.00 0.00 H new ATOM 0 HA ILE A 47 6.587 -7.385 0.705 1.00 0.00 H new ATOM 0 HB ILE A 47 9.025 -5.914 -0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.246 -6.342 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.678 -4.911 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.877 -7.498 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.213 -8.359 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.573 -8.377 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.982 -4.520 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.547 -4.443 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.108 -5.896 -3.182 1.00 0.00 H new ATOM 693 N SER A 48 9.570 -7.361 2.102 1.00 0.00 N ATOM 694 CA SER A 48 10.521 -8.251 2.809 1.00 0.00 C ATOM 695 C SER A 48 9.820 -8.822 4.044 1.00 0.00 C ATOM 696 O SER A 48 9.973 -9.981 4.380 1.00 0.00 O ATOM 697 CB SER A 48 11.752 -7.449 3.233 1.00 0.00 C ATOM 698 OG SER A 48 11.390 -6.539 4.261 1.00 0.00 O ATOM 0 H SER A 48 9.818 -6.372 2.097 1.00 0.00 H new ATOM 0 HA SER A 48 10.839 -9.062 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.534 -8.121 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.159 -6.907 2.379 1.00 0.00 H new ATOM 0 HG SER A 48 10.547 -6.099 4.026 1.00 0.00 H new ATOM 704 N CYS A 49 9.042 -8.015 4.714 1.00 0.00 N ATOM 705 CA CYS A 49 8.315 -8.502 5.920 1.00 0.00 C ATOM 706 C CYS A 49 7.269 -9.539 5.502 1.00 0.00 C ATOM 707 O CYS A 49 7.036 -10.510 6.192 1.00 0.01 O ATOM 708 CB CYS A 49 7.628 -7.323 6.614 1.00 0.00 C ATOM 709 SG CYS A 49 8.856 -6.383 7.556 1.00 0.01 S ATOM 0 H CYS A 49 8.879 -7.037 4.477 1.00 0.00 H new ATOM 0 HA CYS A 49 9.022 -8.963 6.610 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.150 -6.680 5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.843 -7.685 7.278 1.00 0.00 H new ATOM 0 HG CYS A 49 8.554 -5.119 7.522 1.00 0.01 H new ATOM 715 N GLU A 50 6.632 -9.350 4.379 1.00 0.00 N ATOM 716 CA GLU A 50 5.613 -10.344 3.942 1.00 0.00 C ATOM 717 C GLU A 50 6.285 -11.706 3.783 1.00 0.01 C ATOM 718 O GLU A 50 5.783 -12.708 4.243 1.00 0.00 O ATOM 719 CB GLU A 50 4.992 -9.911 2.609 1.00 0.01 C ATOM 720 CG GLU A 50 4.029 -8.745 2.843 1.00 0.00 C ATOM 721 CD GLU A 50 2.794 -9.242 3.596 1.00 0.01 C ATOM 722 OE1 GLU A 50 2.115 -10.110 3.072 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.547 -8.747 4.683 1.00 0.01 O ATOM 0 H GLU A 50 6.771 -8.558 3.751 1.00 0.00 H new ATOM 0 HA GLU A 50 4.822 -10.408 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.775 -9.614 1.911 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.461 -10.748 2.155 1.00 0.01 H new ATOM 0 HG2 GLU A 50 4.524 -7.960 3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.734 -8.307 1.889 1.00 0.00 H new ATOM 730 N GLU A 51 7.432 -11.747 3.159 1.00 0.01 N ATOM 731 CA GLU A 51 8.137 -13.050 3.004 1.00 0.00 C ATOM 732 C GLU A 51 8.422 -13.600 4.398 1.00 0.01 C ATOM 733 O GLU A 51 8.296 -14.779 4.659 1.00 0.00 O ATOM 734 CB GLU A 51 9.462 -12.846 2.260 1.00 0.00 C ATOM 735 CG GLU A 51 9.187 -12.494 0.797 1.00 0.00 C ATOM 736 CD GLU A 51 10.517 -12.293 0.068 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.535 -12.247 0.738 1.00 0.01 O ATOM 738 OE2 GLU A 51 10.494 -12.190 -1.146 1.00 0.00 O ATOM 0 H GLU A 51 7.907 -10.941 2.753 1.00 0.01 H new ATOM 0 HA GLU A 51 7.518 -13.743 2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.036 -12.050 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.065 -13.752 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.614 -13.290 0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.585 -11.588 0.736 1.00 0.00 H new ATOM 745 N TYR A 52 8.799 -12.734 5.296 1.00 0.00 N ATOM 746 CA TYR A 52 9.091 -13.162 6.688 1.00 0.01 C ATOM 747 C TYR A 52 7.815 -13.753 7.301 1.00 0.01 C ATOM 748 O TYR A 52 7.860 -14.669 8.100 1.00 0.01 O ATOM 749 CB TYR A 52 9.530 -11.933 7.489 1.00 0.00 C ATOM 750 CG TYR A 52 10.096 -12.350 8.822 1.00 0.01 C ATOM 751 CD1 TYR A 52 9.243 -12.586 9.905 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.479 -12.490 8.977 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.773 -12.964 11.143 1.00 0.01 C ATOM 754 CE2 TYR A 52 12.011 -12.865 10.213 1.00 0.00 C ATOM 755 CZ TYR A 52 11.159 -13.103 11.298 1.00 0.01 C ATOM 756 OH TYR A 52 11.683 -13.475 12.521 1.00 0.01 O ATOM 0 H TYR A 52 8.918 -11.736 5.121 1.00 0.00 H new ATOM 0 HA TYR A 52 9.881 -13.913 6.703 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.278 -11.374 6.928 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.681 -11.267 7.640 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.175 -12.476 9.785 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.137 -12.308 8.140 1.00 0.01 H new ATOM 0 HE1 TYR A 52 9.115 -13.149 11.979 1.00 0.01 H new ATOM 0 HE2 TYR A 52 13.079 -12.971 10.332 1.00 0.00 H new ATOM 0 HH TYR A 52 10.953 -13.643 13.152 1.00 0.01 H new ATOM 766 N LYS A 53 6.680 -13.219 6.935 1.00 0.01 N ATOM 767 CA LYS A 53 5.386 -13.717 7.488 1.00 0.01 C ATOM 768 C LYS A 53 4.939 -14.994 6.772 1.00 0.01 C ATOM 769 O LYS A 53 4.026 -15.666 7.208 1.00 0.01 O ATOM 770 CB LYS A 53 4.317 -12.645 7.296 1.00 0.01 C ATOM 771 CG LYS A 53 4.605 -11.466 8.221 1.00 0.00 C ATOM 772 CD LYS A 53 3.532 -10.394 8.024 1.00 0.00 C ATOM 773 CE LYS A 53 3.799 -9.217 8.962 1.00 0.01 C ATOM 774 NZ LYS A 53 5.262 -8.931 9.022 1.00 0.00 N ATOM 0 H LYS A 53 6.593 -12.451 6.269 1.00 0.01 H new ATOM 0 HA LYS A 53 5.524 -13.939 8.546 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.304 -12.312 6.258 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.331 -13.057 7.511 1.00 0.01 H new ATOM 0 HG2 LYS A 53 4.617 -11.798 9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.591 -11.053 8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.531 -10.053 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.545 -10.813 8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.262 -8.335 8.613 1.00 0.01 H new ATOM 0 HE3 LYS A 53 3.424 -9.445 9.960 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 5.411 -7.932 9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.705 -9.535 9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.692 -9.127 8.096 1.00 0.00 H new ATOM 788 N LYS A 54 5.561 -15.345 5.678 1.00 0.00 N ATOM 789 CA LYS A 54 5.142 -16.587 4.958 1.00 0.01 C ATOM 790 C LYS A 54 5.923 -17.776 5.513 1.00 0.01 C ATOM 791 O LYS A 54 5.436 -18.888 5.551 1.00 0.01 O ATOM 792 CB LYS A 54 5.433 -16.446 3.462 1.00 0.01 C ATOM 793 CG LYS A 54 4.482 -15.421 2.842 1.00 0.01 C ATOM 794 CD LYS A 54 4.786 -15.291 1.348 1.00 0.00 C ATOM 795 CE LYS A 54 3.843 -14.268 0.712 1.00 0.01 C ATOM 796 NZ LYS A 54 4.231 -14.057 -0.711 1.00 0.01 N ATOM 0 H LYS A 54 6.334 -14.832 5.254 1.00 0.00 H new ATOM 0 HA LYS A 54 4.073 -16.744 5.102 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.466 -16.134 3.311 1.00 0.01 H new ATOM 0 HB3 LYS A 54 5.316 -17.410 2.967 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.448 -15.732 2.989 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.598 -14.455 3.334 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.822 -14.983 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.671 -16.258 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.813 -14.620 0.772 1.00 0.01 H new ATOM 0 HE3 LYS A 54 3.890 -13.325 1.257 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 3.591 -13.362 -1.146 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 5.208 -13.704 -0.756 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 4.165 -14.958 -1.226 1.00 0.01 H new ATOM 810 N ILE A 55 7.127 -17.551 5.956 1.00 0.01 N ATOM 811 CA ILE A 55 7.922 -18.671 6.521 1.00 0.01 C ATOM 812 C ILE A 55 7.346 -19.062 7.880 1.00 0.00 C ATOM 813 O ILE A 55 7.230 -18.245 8.772 1.00 0.01 O ATOM 814 CB ILE A 55 9.377 -18.234 6.687 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.981 -17.960 5.308 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.169 -19.342 7.383 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.346 -17.293 5.473 1.00 0.01 C ATOM 0 H ILE A 55 7.592 -16.643 5.951 1.00 0.01 H new ATOM 0 HA ILE A 55 7.879 -19.526 5.847 1.00 0.01 H new ATOM 0 HB ILE A 55 9.420 -17.328 7.292 1.00 0.01 H new ATOM 0 HG12 ILE A 55 10.085 -18.892 4.753 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.318 -17.317 4.730 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.206 -19.029 7.501 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.736 -19.538 8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.130 -20.250 6.781 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.777 -17.098 4.491 1.00 0.01 H new ATOM 0 HD12 ILE A 55 11.229 -16.353 6.011 1.00 0.01 H new ATOM 0 HD13 ILE A 55 12.008 -17.952 6.035 1.00 0.01 H new ATOM 829 N LYS A 56 6.986 -20.304 8.046 1.00 0.01 N ATOM 830 CA LYS A 56 6.416 -20.760 9.350 1.00 0.01 C ATOM 831 C LYS A 56 7.521 -21.441 10.158 1.00 0.01 C ATOM 832 O LYS A 56 7.307 -21.901 11.262 1.00 0.01 O ATOM 833 CB LYS A 56 5.280 -21.751 9.081 1.00 0.01 C ATOM 834 CG LYS A 56 4.226 -21.096 8.175 1.00 0.01 C ATOM 835 CD LYS A 56 3.584 -19.893 8.883 1.00 0.00 C ATOM 836 CE LYS A 56 2.248 -19.553 8.213 1.00 0.00 C ATOM 837 NZ LYS A 56 1.698 -18.301 8.808 1.00 0.00 N ATOM 0 H LYS A 56 7.062 -21.029 7.332 1.00 0.01 H new ATOM 0 HA LYS A 56 6.025 -19.911 9.911 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.673 -22.650 8.607 1.00 0.01 H new ATOM 0 HB3 LYS A 56 4.824 -22.060 10.021 1.00 0.01 H new ATOM 0 HG2 LYS A 56 4.689 -20.773 7.243 1.00 0.01 H new ATOM 0 HG3 LYS A 56 3.458 -21.824 7.914 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.426 -20.121 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.253 -19.034 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.389 -19.427 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.542 -20.373 8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.791 -18.070 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.549 -18.438 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.369 -17.521 8.658 1.00 0.00 H new ATOM 851 N SER A 57 8.708 -21.500 9.612 1.00 0.00 N ATOM 852 CA SER A 57 9.850 -22.140 10.330 1.00 0.01 C ATOM 853 C SER A 57 10.681 -21.047 11.040 1.00 0.01 C ATOM 854 O SER A 57 11.331 -20.264 10.376 1.00 0.00 O ATOM 855 CB SER A 57 10.739 -22.844 9.307 1.00 0.01 C ATOM 856 OG SER A 57 10.046 -23.968 8.782 1.00 0.01 O ATOM 0 H SER A 57 8.937 -21.128 8.690 1.00 0.00 H new ATOM 0 HA SER A 57 9.474 -22.855 11.062 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.004 -22.157 8.503 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.671 -23.162 9.775 1.00 0.01 H new ATOM 0 HG SER A 57 10.612 -24.423 8.123 1.00 0.01 H new ATOM 862 N PRO A 58 10.681 -20.965 12.361 1.00 0.00 N ATOM 863 CA PRO A 58 11.480 -19.909 13.042 1.00 0.01 C ATOM 864 C PRO A 58 12.990 -20.156 12.909 1.00 0.00 C ATOM 865 O PRO A 58 13.799 -19.403 13.413 1.00 0.00 O ATOM 866 CB PRO A 58 11.010 -20.017 14.507 1.00 0.01 C ATOM 867 CG PRO A 58 10.198 -21.318 14.658 1.00 0.01 C ATOM 868 CD PRO A 58 9.913 -21.884 13.254 1.00 0.01 C ATOM 0 HA PRO A 58 11.330 -18.918 12.614 1.00 0.01 H new ATOM 0 HB2 PRO A 58 11.866 -20.023 15.181 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.399 -19.155 14.775 1.00 0.01 H new ATOM 0 HG2 PRO A 58 10.753 -22.043 15.253 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.264 -21.122 15.184 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.251 -22.916 13.158 1.00 0.01 H new ATOM 0 HD3 PRO A 58 8.848 -21.875 13.023 1.00 0.01 H new ATOM 876 N SER A 59 13.369 -21.210 12.238 1.00 0.01 N ATOM 877 CA SER A 59 14.821 -21.513 12.071 1.00 0.01 C ATOM 878 C SER A 59 15.366 -20.813 10.822 1.00 0.01 C ATOM 879 O SER A 59 16.528 -20.463 10.755 1.00 0.01 O ATOM 880 CB SER A 59 15.005 -23.024 11.922 1.00 0.01 C ATOM 881 OG SER A 59 16.389 -23.337 11.985 1.00 0.01 O ATOM 0 H SER A 59 12.735 -21.876 11.797 1.00 0.01 H new ATOM 0 HA SER A 59 15.364 -21.155 12.946 1.00 0.01 H new ATOM 0 HB2 SER A 59 14.466 -23.547 12.712 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.587 -23.361 10.973 1.00 0.01 H new ATOM 0 HG SER A 59 16.510 -24.305 11.891 1.00 0.01 H new ATOM 887 N LYS A 60 14.541 -20.613 9.827 1.00 0.00 N ATOM 888 CA LYS A 60 15.019 -19.947 8.576 1.00 0.00 C ATOM 889 C LYS A 60 14.841 -18.431 8.689 1.00 0.01 C ATOM 890 O LYS A 60 15.381 -17.675 7.904 1.00 0.01 O ATOM 891 CB LYS A 60 14.192 -20.462 7.391 1.00 0.01 C ATOM 892 CG LYS A 60 14.508 -21.946 7.122 1.00 0.01 C ATOM 893 CD LYS A 60 15.751 -22.080 6.217 1.00 0.01 C ATOM 894 CE LYS A 60 15.333 -22.077 4.742 1.00 0.01 C ATOM 895 NZ LYS A 60 16.537 -22.270 3.883 1.00 0.01 N ATOM 0 H LYS A 60 13.557 -20.882 9.826 1.00 0.00 H new ATOM 0 HA LYS A 60 16.075 -20.174 8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.129 -20.342 7.601 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.410 -19.870 6.502 1.00 0.01 H new ATOM 0 HG2 LYS A 60 14.681 -22.464 8.066 1.00 0.01 H new ATOM 0 HG3 LYS A 60 13.652 -22.426 6.647 1.00 0.01 H new ATOM 0 HD2 LYS A 60 16.440 -21.258 6.409 1.00 0.01 H new ATOM 0 HD3 LYS A 60 16.282 -23.003 6.450 1.00 0.01 H new ATOM 0 HE2 LYS A 60 14.610 -22.871 4.556 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.843 -21.135 4.494 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 16.253 -22.268 2.882 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 17.212 -21.498 4.053 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 16.986 -23.179 4.114 1.00 0.01 H new ATOM 909 N LEU A 61 14.094 -17.973 9.655 1.00 0.01 N ATOM 910 CA LEU A 61 13.895 -16.505 9.807 1.00 0.01 C ATOM 911 C LEU A 61 15.238 -15.825 10.089 1.00 0.01 C ATOM 912 O LEU A 61 15.517 -14.754 9.591 1.00 0.01 O ATOM 913 CB LEU A 61 12.932 -16.224 10.967 1.00 0.01 C ATOM 914 CG LEU A 61 11.554 -16.844 10.688 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.612 -16.531 11.863 1.00 0.01 C ATOM 916 CD2 LEU A 61 10.961 -16.272 9.385 1.00 0.01 C ATOM 0 H LEU A 61 13.614 -18.551 10.345 1.00 0.01 H new ATOM 0 HA LEU A 61 13.473 -16.110 8.883 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.340 -16.632 11.892 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.831 -15.148 11.110 1.00 0.01 H new ATOM 0 HG LEU A 61 11.665 -17.923 10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.632 -16.969 11.671 1.00 0.01 H new ATOM 0 HD12 LEU A 61 11.023 -16.951 12.781 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.512 -15.451 11.971 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.985 -16.721 9.202 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.851 -15.192 9.479 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.627 -16.498 8.552 1.00 0.01 H new ATOM 928 N SER A 62 16.067 -16.433 10.893 1.00 0.00 N ATOM 929 CA SER A 62 17.383 -15.812 11.218 1.00 0.01 C ATOM 930 C SER A 62 18.089 -15.325 9.934 1.00 0.01 C ATOM 931 O SER A 62 18.296 -14.138 9.770 1.00 0.01 O ATOM 932 CB SER A 62 18.251 -16.828 11.979 1.00 0.01 C ATOM 933 OG SER A 62 18.144 -16.574 13.374 1.00 0.01 O ATOM 0 H SER A 62 15.890 -17.333 11.339 1.00 0.00 H new ATOM 0 HA SER A 62 17.224 -14.940 11.853 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.925 -17.844 11.755 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.290 -16.749 11.660 1.00 0.01 H new ATOM 0 HG SER A 62 18.693 -17.219 13.867 1.00 0.01 H new ATOM 939 N PRO A 63 18.459 -16.206 9.026 1.00 0.00 N ATOM 940 CA PRO A 63 19.142 -15.783 7.773 1.00 0.00 C ATOM 941 C PRO A 63 18.614 -14.457 7.196 1.00 0.01 C ATOM 942 O PRO A 63 19.344 -13.492 7.081 1.00 0.00 O ATOM 943 CB PRO A 63 18.845 -16.969 6.837 1.00 0.01 C ATOM 944 CG PRO A 63 18.427 -18.171 7.712 1.00 0.01 C ATOM 945 CD PRO A 63 18.242 -17.676 9.163 1.00 0.01 C ATOM 0 HA PRO A 63 20.202 -15.577 7.923 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.050 -16.712 6.136 1.00 0.01 H new ATOM 0 HB3 PRO A 63 19.725 -17.217 6.244 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.500 -18.608 7.339 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.186 -18.952 7.672 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.249 -17.907 9.548 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.961 -18.132 9.843 1.00 0.01 H new ATOM 953 N LYS A 64 17.365 -14.403 6.817 1.00 0.01 N ATOM 954 CA LYS A 64 16.826 -13.141 6.233 1.00 0.01 C ATOM 955 C LYS A 64 16.637 -12.074 7.318 1.00 0.00 C ATOM 956 O LYS A 64 16.634 -10.892 7.037 1.00 0.00 O ATOM 957 CB LYS A 64 15.488 -13.417 5.536 1.00 0.00 C ATOM 958 CG LYS A 64 14.498 -14.057 6.521 1.00 0.01 C ATOM 959 CD LYS A 64 13.072 -13.912 5.984 1.00 0.01 C ATOM 960 CE LYS A 64 12.988 -14.498 4.572 1.00 0.01 C ATOM 961 NZ LYS A 64 11.557 -14.641 4.180 1.00 0.00 N ATOM 0 H LYS A 64 16.699 -15.172 6.886 1.00 0.01 H new ATOM 0 HA LYS A 64 17.544 -12.767 5.503 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.074 -12.487 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.643 -14.079 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.739 -15.111 6.661 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.580 -13.579 7.497 1.00 0.01 H new ATOM 0 HD2 LYS A 64 12.371 -14.425 6.643 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.784 -12.861 5.969 1.00 0.01 H new ATOM 0 HE2 LYS A 64 13.507 -13.850 3.866 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.484 -15.468 4.539 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.465 -15.399 3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.989 -14.878 5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.217 -13.746 3.774 1.00 0.00 H new ATOM 975 N ALA A 65 16.474 -12.471 8.551 1.00 0.00 N ATOM 976 CA ALA A 65 16.285 -11.456 9.625 1.00 0.01 C ATOM 977 C ALA A 65 17.497 -10.528 9.647 1.00 0.01 C ATOM 978 O ALA A 65 17.371 -9.320 9.635 1.00 0.01 O ATOM 979 CB ALA A 65 16.153 -12.157 10.980 1.00 0.01 C ATOM 0 H ALA A 65 16.464 -13.444 8.858 1.00 0.00 H new ATOM 0 HA ALA A 65 15.380 -10.880 9.432 1.00 0.01 H new ATOM 0 HB1 ALA A 65 16.015 -11.412 11.763 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.293 -12.827 10.961 1.00 0.01 H new ATOM 0 HB3 ALA A 65 17.057 -12.732 11.182 1.00 0.01 H new ATOM 985 N LYS A 66 18.674 -11.085 9.672 1.00 0.01 N ATOM 986 CA LYS A 66 19.895 -10.240 9.687 1.00 0.00 C ATOM 987 C LYS A 66 19.966 -9.415 8.401 1.00 0.01 C ATOM 988 O LYS A 66 20.314 -8.252 8.421 1.00 0.01 O ATOM 989 CB LYS A 66 21.124 -11.142 9.780 1.00 0.01 C ATOM 990 CG LYS A 66 21.150 -11.823 11.149 1.00 0.01 C ATOM 991 CD LYS A 66 22.379 -12.726 11.248 1.00 0.01 C ATOM 992 CE LYS A 66 22.403 -13.408 12.619 1.00 0.00 C ATOM 993 NZ LYS A 66 21.291 -14.398 12.712 1.00 0.00 N ATOM 0 H LYS A 66 18.842 -12.091 9.683 1.00 0.01 H new ATOM 0 HA LYS A 66 19.864 -9.567 10.544 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.100 -11.891 8.989 1.00 0.01 H new ATOM 0 HB3 LYS A 66 22.031 -10.555 9.636 1.00 0.01 H new ATOM 0 HG2 LYS A 66 21.173 -11.073 11.939 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.243 -12.410 11.292 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.357 -13.476 10.457 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.287 -12.140 11.106 1.00 0.01 H new ATOM 0 HE2 LYS A 66 23.360 -13.907 12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.305 -12.662 13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.464 -15.041 13.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.392 -13.897 12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.241 -14.947 11.830 1.00 0.00 H new ATOM 1007 N LYS A 67 19.640 -10.004 7.281 1.00 0.00 N ATOM 1008 CA LYS A 67 19.697 -9.238 6.004 1.00 0.00 C ATOM 1009 C LYS A 67 18.729 -8.062 6.080 1.00 0.01 C ATOM 1010 O LYS A 67 19.081 -6.933 5.803 1.00 0.01 O ATOM 1011 CB LYS A 67 19.289 -10.148 4.845 1.00 0.00 C ATOM 1012 CG LYS A 67 20.369 -11.206 4.618 1.00 0.01 C ATOM 1013 CD LYS A 67 19.952 -12.110 3.457 1.00 0.00 C ATOM 1014 CE LYS A 67 21.023 -13.173 3.222 1.00 0.00 C ATOM 1015 NZ LYS A 67 20.459 -14.255 2.365 1.00 0.01 N ATOM 0 H LYS A 67 19.339 -10.975 7.196 1.00 0.00 H new ATOM 0 HA LYS A 67 20.711 -8.873 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.336 -10.629 5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.147 -9.559 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.323 -10.727 4.397 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.511 -11.798 5.522 1.00 0.01 H new ATOM 0 HD2 LYS A 67 18.997 -12.585 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.811 -11.516 2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.894 -12.729 2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 67 21.359 -13.584 4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.184 -14.982 2.202 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 19.640 -14.684 2.841 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 20.159 -13.855 1.453 1.00 0.01 H new ATOM 1029 N ILE A 68 17.510 -8.318 6.464 1.00 0.01 N ATOM 1030 CA ILE A 68 16.521 -7.213 6.569 1.00 0.00 C ATOM 1031 C ILE A 68 16.968 -6.245 7.662 1.00 0.01 C ATOM 1032 O ILE A 68 17.016 -5.047 7.467 1.00 0.00 O ATOM 1033 CB ILE A 68 15.147 -7.789 6.918 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.656 -8.656 5.755 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.157 -6.648 7.162 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.408 -9.432 6.180 1.00 0.00 C ATOM 0 H ILE A 68 17.157 -9.243 6.709 1.00 0.01 H new ATOM 0 HA ILE A 68 16.456 -6.684 5.618 1.00 0.00 H new ATOM 0 HB ILE A 68 15.223 -8.395 7.821 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.430 -8.030 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.440 -9.349 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.179 -7.061 7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.510 -6.030 7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.075 -6.039 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.062 -10.048 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.649 -10.071 7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.623 -8.731 6.464 1.00 0.00 H new ATOM 1048 N TYR A 69 17.291 -6.758 8.819 1.00 0.00 N ATOM 1049 CA TYR A 69 17.728 -5.867 9.927 1.00 0.01 C ATOM 1050 C TYR A 69 18.997 -5.107 9.526 1.00 0.00 C ATOM 1051 O TYR A 69 19.084 -3.903 9.658 1.00 0.01 O ATOM 1052 CB TYR A 69 18.012 -6.707 11.175 1.00 0.01 C ATOM 1053 CG TYR A 69 18.560 -5.822 12.271 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.940 -5.618 12.382 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.689 -5.209 13.178 1.00 0.00 C ATOM 1056 CE1 TYR A 69 20.448 -4.803 13.402 1.00 0.01 C ATOM 1057 CE2 TYR A 69 18.196 -4.393 14.195 1.00 0.01 C ATOM 1058 CZ TYR A 69 19.576 -4.191 14.308 1.00 0.01 C ATOM 1059 OH TYR A 69 20.075 -3.386 15.313 1.00 0.01 O ATOM 0 H TYR A 69 17.271 -7.753 9.042 1.00 0.00 H new ATOM 0 HA TYR A 69 16.935 -5.149 10.138 1.00 0.01 H new ATOM 0 HB2 TYR A 69 17.098 -7.196 11.512 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.727 -7.495 10.940 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.613 -6.089 11.681 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.624 -5.366 13.093 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.513 -4.647 13.489 1.00 0.01 H new ATOM 0 HE2 TYR A 69 17.522 -3.919 14.893 1.00 0.01 H new ATOM 0 HH TYR A 69 19.334 -3.039 15.853 1.00 0.01 H new ATOM 1069 N ASN A 70 19.981 -5.806 9.038 1.00 0.01 N ATOM 1070 CA ASN A 70 21.247 -5.137 8.629 1.00 0.00 C ATOM 1071 C ASN A 70 20.963 -4.158 7.493 1.00 0.00 C ATOM 1072 O ASN A 70 21.606 -3.140 7.353 1.00 0.01 O ATOM 1073 CB ASN A 70 22.242 -6.193 8.141 1.00 0.00 C ATOM 1074 CG ASN A 70 22.621 -7.119 9.297 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.681 -8.321 9.134 1.00 0.01 O ATOM 1076 ND2 ASN A 70 22.879 -6.607 10.470 1.00 0.01 N ATOM 0 H ASN A 70 19.964 -6.817 8.904 1.00 0.01 H new ATOM 0 HA ASN A 70 21.664 -4.599 9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.803 -6.772 7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 70 23.134 -5.709 7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.131 -7.216 11.248 1.00 0.01 H new ATOM 0 HD22 ASN A 70 22.829 -5.598 10.608 1.00 0.01 H new ATOM 1083 N GLU A 71 20.022 -4.486 6.656 1.00 0.00 N ATOM 1084 CA GLU A 71 19.707 -3.607 5.498 1.00 0.00 C ATOM 1085 C GLU A 71 18.824 -2.418 5.913 1.00 0.00 C ATOM 1086 O GLU A 71 19.244 -1.280 5.866 1.00 0.00 O ATOM 1087 CB GLU A 71 18.981 -4.437 4.434 1.00 0.00 C ATOM 1088 CG GLU A 71 18.761 -3.593 3.176 1.00 0.00 C ATOM 1089 CD GLU A 71 18.036 -4.431 2.120 1.00 0.00 C ATOM 1090 OE1 GLU A 71 17.914 -5.628 2.322 1.00 0.00 O ATOM 1091 OE2 GLU A 71 17.619 -3.861 1.125 1.00 0.00 O ATOM 0 H GLU A 71 19.454 -5.330 6.724 1.00 0.00 H new ATOM 0 HA GLU A 71 20.640 -3.206 5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.566 -5.324 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.023 -4.784 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.175 -2.707 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.718 -3.246 2.786 1.00 0.00 H new ATOM 1098 N PHE A 72 17.587 -2.667 6.259 1.00 0.00 N ATOM 1099 CA PHE A 72 16.657 -1.545 6.605 1.00 0.00 C ATOM 1100 C PHE A 72 16.789 -1.058 8.061 1.00 0.00 C ATOM 1101 O PHE A 72 16.498 0.087 8.347 1.00 0.00 O ATOM 1102 CB PHE A 72 15.216 -2.014 6.384 1.00 0.00 C ATOM 1103 CG PHE A 72 15.009 -2.354 4.926 1.00 0.00 C ATOM 1104 CD1 PHE A 72 14.572 -1.368 4.033 1.00 0.00 C ATOM 1105 CD2 PHE A 72 15.246 -3.657 4.470 1.00 0.00 C ATOM 1106 CE1 PHE A 72 14.374 -1.684 2.685 1.00 0.00 C ATOM 1107 CE2 PHE A 72 15.047 -3.972 3.120 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.611 -2.986 2.229 1.00 0.00 C ATOM 0 H PHE A 72 17.178 -3.600 6.318 1.00 0.00 H new ATOM 0 HA PHE A 72 16.923 -0.708 5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.008 -2.886 7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.519 -1.233 6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.388 -0.364 4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.582 -4.418 5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 72 14.038 -0.923 1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 72 15.230 -4.976 2.767 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.457 -3.229 1.188 1.00 0.00 H new ATOM 1118 N ILE A 73 17.170 -1.899 8.994 1.00 0.00 N ATOM 1119 CA ILE A 73 17.238 -1.436 10.429 1.00 0.00 C ATOM 1120 C ILE A 73 18.652 -1.010 10.826 1.00 0.00 C ATOM 1121 O ILE A 73 18.840 -0.390 11.853 1.00 0.01 O ATOM 1122 CB ILE A 73 16.799 -2.571 11.363 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.418 -3.120 10.935 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.739 -2.061 12.808 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.270 -2.196 11.394 1.00 0.00 C ATOM 0 H ILE A 73 17.434 -2.871 8.834 1.00 0.00 H new ATOM 0 HA ILE A 73 16.574 -0.577 10.521 1.00 0.00 H new ATOM 0 HB ILE A 73 17.527 -3.380 11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.389 -3.226 9.851 1.00 0.00 H new ATOM 0 HG13 ILE A 73 15.275 -4.115 11.357 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.427 -2.871 13.467 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.725 -1.707 13.110 1.00 0.00 H new ATOM 0 HG23 ILE A 73 16.023 -1.242 12.875 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.316 -2.615 11.075 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.284 -2.111 12.481 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.399 -1.208 10.951 1.00 0.00 H new ATOM 1137 N SER A 74 19.649 -1.319 10.056 1.00 0.01 N ATOM 1138 CA SER A 74 21.015 -0.893 10.467 1.00 0.00 C ATOM 1139 C SER A 74 21.022 0.625 10.643 1.00 0.00 C ATOM 1140 O SER A 74 20.591 1.361 9.776 1.00 0.01 O ATOM 1141 CB SER A 74 22.030 -1.288 9.397 1.00 0.00 C ATOM 1142 OG SER A 74 23.241 -0.576 9.619 1.00 0.01 O ATOM 0 H SER A 74 19.586 -1.836 9.179 1.00 0.01 H new ATOM 0 HA SER A 74 21.285 -1.381 11.404 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.214 -2.362 9.431 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.638 -1.063 8.405 1.00 0.00 H new ATOM 0 HG SER A 74 23.898 -0.826 8.936 1.00 0.01 H new ATOM 1148 N VAL A 75 21.505 1.107 11.756 1.00 0.01 N ATOM 1149 CA VAL A 75 21.531 2.580 11.972 1.00 0.01 C ATOM 1150 C VAL A 75 22.373 3.221 10.870 1.00 0.00 C ATOM 1151 O VAL A 75 22.277 4.404 10.607 1.00 0.00 O ATOM 1152 CB VAL A 75 22.121 2.899 13.350 1.00 0.00 C ATOM 1153 CG1 VAL A 75 21.255 2.247 14.432 1.00 0.01 C ATOM 1154 CG2 VAL A 75 23.554 2.360 13.445 1.00 0.00 C ATOM 0 H VAL A 75 21.881 0.547 12.521 1.00 0.01 H new ATOM 0 HA VAL A 75 20.517 2.979 11.936 1.00 0.01 H new ATOM 0 HB VAL A 75 22.139 3.979 13.493 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.671 2.471 15.415 1.00 0.01 H new ATOM 0 HG12 VAL A 75 20.239 2.638 14.370 1.00 0.01 H new ATOM 0 HG13 VAL A 75 21.238 1.167 14.283 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.965 2.591 14.428 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.547 1.280 13.300 1.00 0.00 H new ATOM 0 HG23 VAL A 75 24.170 2.825 12.675 1.00 0.00 H new ATOM 1164 N GLN A 76 23.183 2.437 10.205 1.00 0.01 N ATOM 1165 CA GLN A 76 24.023 2.974 9.094 1.00 0.01 C ATOM 1166 C GLN A 76 23.319 2.684 7.771 1.00 0.01 C ATOM 1167 O GLN A 76 23.807 3.009 6.707 1.00 0.01 O ATOM 1168 CB GLN A 76 25.387 2.278 9.090 1.00 0.00 C ATOM 1169 CG GLN A 76 26.201 2.722 10.306 1.00 0.01 C ATOM 1170 CD GLN A 76 27.507 1.924 10.364 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.618 0.875 9.762 1.00 0.01 O ATOM 1172 NE2 GLN A 76 28.505 2.380 11.071 1.00 0.01 N ATOM 0 H GLN A 76 23.299 1.440 10.386 1.00 0.01 H new ATOM 0 HA GLN A 76 24.165 4.046 9.228 1.00 0.01 H new ATOM 0 HB2 GLN A 76 25.253 1.196 9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.925 2.519 8.173 1.00 0.00 H new ATOM 0 HG2 GLN A 76 26.416 3.789 10.243 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.626 2.566 11.219 1.00 0.01 H new ATOM 0 HE21 GLN A 76 28.411 3.261 11.576 1.00 0.01 H new ATOM 0 HE22 GLN A 76 29.378 1.855 11.118 1.00 0.01 H new ATOM 1181 N ALA A 77 22.170 2.066 7.831 1.00 0.01 N ATOM 1182 CA ALA A 77 21.426 1.742 6.582 1.00 0.00 C ATOM 1183 C ALA A 77 21.374 2.979 5.686 1.00 0.01 C ATOM 1184 O ALA A 77 21.090 4.072 6.135 1.00 0.00 O ATOM 1185 CB ALA A 77 20.001 1.308 6.935 1.00 0.00 C ATOM 0 H ALA A 77 21.714 1.771 8.695 1.00 0.01 H new ATOM 0 HA ALA A 77 21.933 0.933 6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.456 1.071 6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 77 20.037 0.427 7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.494 2.117 7.460 1.00 0.00 H new ATOM 1191 N THR A 78 21.645 2.817 4.422 1.00 0.01 N ATOM 1192 CA THR A 78 21.611 3.983 3.501 1.00 0.01 C ATOM 1193 C THR A 78 20.158 4.424 3.323 1.00 0.01 C ATOM 1194 O THR A 78 19.881 5.522 2.884 1.00 0.00 O ATOM 1195 CB THR A 78 22.201 3.582 2.147 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.377 2.592 1.548 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.610 3.020 2.351 1.00 0.01 C ATOM 0 H THR A 78 21.889 1.927 3.988 1.00 0.01 H new ATOM 0 HA THR A 78 22.198 4.804 3.914 1.00 0.01 H new ATOM 0 HB THR A 78 22.250 4.456 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.752 2.335 0.680 1.00 0.01 H new ATOM 0 HG21 THR A 78 24.031 2.734 1.387 1.00 0.01 H new ATOM 0 HG22 THR A 78 24.242 3.780 2.812 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.562 2.145 3.000 1.00 0.01 H new ATOM 1205 N LYS A 79 19.229 3.568 3.670 1.00 0.00 N ATOM 1206 CA LYS A 79 17.778 3.912 3.540 1.00 0.00 C ATOM 1207 C LYS A 79 17.047 3.535 4.833 1.00 0.00 C ATOM 1208 O LYS A 79 16.313 2.570 4.888 1.00 0.00 O ATOM 1209 CB LYS A 79 17.175 3.144 2.358 1.00 0.00 C ATOM 1210 CG LYS A 79 17.653 1.689 2.375 1.00 0.00 C ATOM 1211 CD LYS A 79 17.042 0.939 1.188 1.00 0.01 C ATOM 1212 CE LYS A 79 17.500 -0.520 1.214 1.00 0.00 C ATOM 1213 NZ LYS A 79 16.778 -1.289 0.162 1.00 0.00 N ATOM 0 H LYS A 79 19.415 2.636 4.041 1.00 0.00 H new ATOM 0 HA LYS A 79 17.669 4.982 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.087 3.178 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.464 3.619 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.741 1.651 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.363 1.210 3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.954 0.990 1.233 1.00 0.01 H new ATOM 0 HD3 LYS A 79 17.345 1.409 0.252 1.00 0.01 H new ATOM 0 HE2 LYS A 79 18.576 -0.577 1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.306 -0.955 2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.918 -2.308 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.763 -1.069 0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.148 -1.028 -0.774 1.00 0.00 H new ATOM 1227 N GLU A 80 17.244 4.297 5.873 1.00 0.00 N ATOM 1228 CA GLU A 80 16.566 3.991 7.163 1.00 0.00 C ATOM 1229 C GLU A 80 15.051 4.058 6.974 1.00 0.00 C ATOM 1230 O GLU A 80 14.541 4.896 6.255 1.00 0.00 O ATOM 1231 CB GLU A 80 16.989 5.011 8.221 1.00 0.00 C ATOM 1232 CG GLU A 80 18.453 4.783 8.589 1.00 0.00 C ATOM 1233 CD GLU A 80 18.881 5.802 9.648 1.00 0.01 C ATOM 1234 OE1 GLU A 80 18.117 6.716 9.904 1.00 0.01 O ATOM 1235 OE2 GLU A 80 19.966 5.646 10.186 1.00 0.00 O ATOM 0 H GLU A 80 17.847 5.120 5.885 1.00 0.00 H new ATOM 0 HA GLU A 80 16.849 2.990 7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.852 6.023 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.361 4.915 9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.590 3.770 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 80 19.080 4.879 7.703 1.00 0.00 H new ATOM 1242 N VAL A 81 14.328 3.182 7.618 1.00 0.00 N ATOM 1243 CA VAL A 81 12.839 3.182 7.492 1.00 0.00 C ATOM 1244 C VAL A 81 12.242 3.867 8.720 1.00 0.00 C ATOM 1245 O VAL A 81 12.786 3.802 9.802 1.00 0.00 O ATOM 1246 CB VAL A 81 12.337 1.738 7.423 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.579 1.175 6.021 1.00 0.00 C ATOM 1248 CG2 VAL A 81 13.096 0.891 8.447 1.00 0.00 C ATOM 0 H VAL A 81 14.707 2.460 8.231 1.00 0.00 H new ATOM 0 HA VAL A 81 12.541 3.713 6.588 1.00 0.00 H new ATOM 0 HB VAL A 81 11.270 1.714 7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.221 0.147 5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.043 1.779 5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.646 1.198 5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.742 -0.139 8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.162 0.918 8.223 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.925 1.290 9.447 1.00 0.00 H new ATOM 1258 N ASN A 82 11.135 4.530 8.561 1.00 0.00 N ATOM 1259 CA ASN A 82 10.516 5.224 9.720 1.00 0.00 C ATOM 1260 C ASN A 82 9.847 4.196 10.637 1.00 0.00 C ATOM 1261 O ASN A 82 8.858 3.582 10.288 1.00 0.00 O ATOM 1262 CB ASN A 82 9.483 6.228 9.207 1.00 0.00 C ATOM 1263 CG ASN A 82 8.716 5.610 8.036 1.00 0.00 C ATOM 1264 OD1 ASN A 82 8.374 4.444 8.066 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.435 6.347 6.996 1.00 0.00 N ATOM 0 H ASN A 82 10.631 4.622 7.679 1.00 0.00 H new ATOM 0 HA ASN A 82 11.281 5.754 10.288 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.793 6.498 10.007 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.978 7.146 8.889 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.928 5.945 6.208 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.722 7.325 6.972 1.00 0.00 H new ATOM 1272 N LEU A 83 10.391 4.008 11.812 1.00 0.00 N ATOM 1273 CA LEU A 83 9.814 3.026 12.779 1.00 0.00 C ATOM 1274 C LEU A 83 9.980 3.569 14.197 1.00 0.00 C ATOM 1275 O LEU A 83 10.692 4.527 14.426 1.00 0.00 O ATOM 1276 CB LEU A 83 10.551 1.685 12.672 1.00 0.01 C ATOM 1277 CG LEU A 83 10.202 0.979 11.351 1.00 0.00 C ATOM 1278 CD1 LEU A 83 11.124 -0.231 11.172 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.729 0.515 11.362 1.00 0.00 C ATOM 0 H LEU A 83 11.220 4.499 12.146 1.00 0.00 H new ATOM 0 HA LEU A 83 8.759 2.876 12.550 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.627 1.850 12.729 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.281 1.047 13.514 1.00 0.01 H new ATOM 0 HG LEU A 83 10.340 1.676 10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.883 -0.737 10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.161 0.103 11.147 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.985 -0.921 12.004 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.497 0.017 10.420 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.572 -0.179 12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.076 1.379 11.486 1.00 0.00 H new ATOM 1291 N ASP A 84 9.330 2.964 15.149 1.00 0.01 N ATOM 1292 CA ASP A 84 9.450 3.448 16.550 1.00 0.00 C ATOM 1293 C ASP A 84 10.852 3.121 17.072 1.00 0.00 C ATOM 1294 O ASP A 84 11.524 2.243 16.569 1.00 0.00 O ATOM 1295 CB ASP A 84 8.398 2.750 17.417 1.00 0.00 C ATOM 1296 CG ASP A 84 8.310 3.437 18.781 1.00 0.01 C ATOM 1297 OD1 ASP A 84 9.162 4.264 19.064 1.00 0.01 O ATOM 1298 OD2 ASP A 84 7.391 3.127 19.519 1.00 0.00 O ATOM 0 H ASP A 84 8.721 2.156 15.018 1.00 0.01 H new ATOM 0 HA ASP A 84 9.290 4.525 16.588 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.428 2.780 16.922 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.658 1.699 17.545 1.00 0.00 H new ATOM 1303 N SER A 85 11.301 3.827 18.073 1.00 0.00 N ATOM 1304 CA SER A 85 12.659 3.568 18.624 1.00 0.01 C ATOM 1305 C SER A 85 12.684 2.201 19.306 1.00 0.01 C ATOM 1306 O SER A 85 13.719 1.576 19.427 1.00 0.00 O ATOM 1307 CB SER A 85 13.011 4.650 19.645 1.00 0.01 C ATOM 1308 OG SER A 85 13.134 5.900 18.979 1.00 0.00 O ATOM 0 H SER A 85 10.783 4.575 18.534 1.00 0.00 H new ATOM 0 HA SER A 85 13.386 3.582 17.812 1.00 0.01 H new ATOM 0 HB2 SER A 85 12.239 4.708 20.412 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.944 4.400 20.150 1.00 0.01 H new ATOM 0 HG SER A 85 13.358 6.597 19.630 1.00 0.00 H new ATOM 1314 N CYS A 86 11.554 1.728 19.755 1.00 0.01 N ATOM 1315 CA CYS A 86 11.523 0.399 20.432 1.00 0.01 C ATOM 1316 C CYS A 86 11.429 -0.707 19.378 1.00 0.00 C ATOM 1317 O CYS A 86 11.926 -1.798 19.569 1.00 0.01 O ATOM 1318 CB CYS A 86 10.308 0.324 21.360 1.00 0.01 C ATOM 1319 SG CYS A 86 8.803 0.663 20.414 1.00 0.01 S ATOM 0 H CYS A 86 10.653 2.202 19.683 1.00 0.01 H new ATOM 0 HA CYS A 86 12.433 0.269 21.017 1.00 0.01 H new ATOM 0 HB2 CYS A 86 10.248 -0.663 21.818 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.411 1.046 22.170 1.00 0.01 H new ATOM 0 HG CYS A 86 8.438 1.896 20.606 1.00 0.01 H new ATOM 1325 N THR A 87 10.798 -0.438 18.267 1.00 0.00 N ATOM 1326 CA THR A 87 10.687 -1.488 17.213 1.00 0.00 C ATOM 1327 C THR A 87 12.083 -1.896 16.748 1.00 0.00 C ATOM 1328 O THR A 87 12.360 -3.061 16.538 1.00 0.01 O ATOM 1329 CB THR A 87 9.892 -0.955 16.020 1.00 0.00 C ATOM 1330 OG1 THR A 87 8.588 -0.583 16.444 1.00 0.00 O ATOM 1331 CG2 THR A 87 9.795 -2.046 14.951 1.00 0.00 C ATOM 0 H THR A 87 10.358 0.455 18.044 1.00 0.00 H new ATOM 0 HA THR A 87 10.171 -2.353 17.629 1.00 0.00 H new ATOM 0 HB THR A 87 10.396 -0.082 15.605 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.933 -1.212 16.076 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.229 -1.671 14.098 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.797 -2.327 14.626 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.290 -2.918 15.366 1.00 0.00 H new ATOM 1339 N ARG A 88 12.969 -0.952 16.582 1.00 0.01 N ATOM 1340 CA ARG A 88 14.342 -1.307 16.131 1.00 0.00 C ATOM 1341 C ARG A 88 14.958 -2.251 17.162 1.00 0.00 C ATOM 1342 O ARG A 88 15.488 -3.293 16.833 1.00 0.01 O ATOM 1343 CB ARG A 88 15.193 -0.040 16.020 1.00 0.00 C ATOM 1344 CG ARG A 88 14.698 0.804 14.845 1.00 0.00 C ATOM 1345 CD ARG A 88 15.551 2.067 14.741 1.00 0.00 C ATOM 1346 NE ARG A 88 15.034 2.947 13.639 1.00 0.01 N ATOM 1347 CZ ARG A 88 14.966 2.537 12.400 1.00 0.00 C ATOM 1348 NH1 ARG A 88 15.483 1.393 12.048 1.00 0.00 N ATOM 1349 NH2 ARG A 88 14.418 3.302 11.500 1.00 0.01 N ATOM 0 H ARG A 88 12.802 0.042 16.738 1.00 0.01 H new ATOM 0 HA ARG A 88 14.302 -1.791 15.155 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.133 0.534 16.945 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.241 -0.304 15.876 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.759 0.232 13.919 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.650 1.069 14.987 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.533 2.607 15.688 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.590 1.799 14.547 1.00 0.00 H new ATOM 0 HE ARG A 88 14.727 3.893 13.864 1.00 0.01 H new ATOM 0 HH11 ARG A 88 15.947 0.808 12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.424 1.083 11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.046 4.214 11.764 1.00 0.01 H new ATOM 0 HH22 ARG A 88 14.361 2.989 10.531 1.00 0.01 H new ATOM 1363 N GLU A 89 14.875 -1.893 18.413 1.00 0.01 N ATOM 1364 CA GLU A 89 15.432 -2.765 19.478 1.00 0.01 C ATOM 1365 C GLU A 89 14.711 -4.112 19.453 1.00 0.01 C ATOM 1366 O GLU A 89 15.311 -5.152 19.628 1.00 0.00 O ATOM 1367 CB GLU A 89 15.234 -2.103 20.842 1.00 0.01 C ATOM 1368 CG GLU A 89 16.150 -0.885 20.953 1.00 0.01 C ATOM 1369 CD GLU A 89 15.954 -0.220 22.316 1.00 0.01 C ATOM 1370 OE1 GLU A 89 15.024 -0.597 23.010 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.739 0.655 22.644 1.00 0.01 O ATOM 0 H GLU A 89 14.443 -1.030 18.742 1.00 0.01 H new ATOM 0 HA GLU A 89 16.498 -2.916 19.305 1.00 0.01 H new ATOM 0 HB2 GLU A 89 14.194 -1.802 20.965 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.456 -2.813 21.639 1.00 0.01 H new ATOM 0 HG2 GLU A 89 17.190 -1.187 20.830 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.928 -0.176 20.156 1.00 0.01 H new ATOM 1378 N GLU A 90 13.422 -4.100 19.243 1.00 0.00 N ATOM 1379 CA GLU A 90 12.663 -5.380 19.219 1.00 0.01 C ATOM 1380 C GLU A 90 13.213 -6.277 18.111 1.00 0.01 C ATOM 1381 O GLU A 90 13.454 -7.450 18.317 1.00 0.01 O ATOM 1382 CB GLU A 90 11.180 -5.096 18.960 1.00 0.01 C ATOM 1383 CG GLU A 90 10.399 -6.415 18.935 1.00 0.00 C ATOM 1384 CD GLU A 90 8.905 -6.121 18.799 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.555 -4.954 18.747 1.00 0.01 O ATOM 1386 OE2 GLU A 90 8.138 -7.069 18.752 1.00 0.00 O ATOM 0 H GLU A 90 12.864 -3.260 19.088 1.00 0.00 H new ATOM 0 HA GLU A 90 12.770 -5.882 20.181 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.784 -4.442 19.737 1.00 0.01 H new ATOM 0 HB3 GLU A 90 11.060 -4.573 18.011 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.736 -7.034 18.103 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.588 -6.979 19.848 1.00 0.00 H new ATOM 1393 N THR A 91 13.419 -5.744 16.936 1.00 0.01 N ATOM 1394 CA THR A 91 13.957 -6.589 15.836 1.00 0.01 C ATOM 1395 C THR A 91 15.350 -7.088 16.227 1.00 0.01 C ATOM 1396 O THR A 91 15.677 -8.246 16.052 1.00 0.01 O ATOM 1397 CB THR A 91 14.045 -5.770 14.547 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.789 -5.157 14.293 1.00 0.00 O ATOM 1399 CG2 THR A 91 14.397 -6.699 13.385 1.00 0.01 C ATOM 0 H THR A 91 13.239 -4.770 16.694 1.00 0.01 H new ATOM 0 HA THR A 91 13.295 -7.439 15.670 1.00 0.01 H new ATOM 0 HB THR A 91 14.812 -5.003 14.651 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.679 -4.381 14.881 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.461 -6.121 12.463 1.00 0.01 H new ATOM 0 HG22 THR A 91 15.356 -7.178 13.580 1.00 0.01 H new ATOM 0 HG23 THR A 91 13.625 -7.461 13.282 1.00 0.01 H new ATOM 1407 N SER A 92 16.171 -6.228 16.766 1.00 0.01 N ATOM 1408 CA SER A 92 17.536 -6.662 17.181 1.00 0.01 C ATOM 1409 C SER A 92 17.408 -7.752 18.245 1.00 0.01 C ATOM 1410 O SER A 92 18.121 -8.735 18.237 1.00 0.00 O ATOM 1411 CB SER A 92 18.294 -5.467 17.759 1.00 0.01 C ATOM 1412 OG SER A 92 17.694 -5.083 18.989 1.00 0.01 O ATOM 0 H SER A 92 15.956 -5.246 16.937 1.00 0.01 H new ATOM 0 HA SER A 92 18.080 -7.051 16.320 1.00 0.01 H new ATOM 0 HB2 SER A 92 19.341 -5.727 17.917 1.00 0.01 H new ATOM 0 HB3 SER A 92 18.275 -4.634 17.056 1.00 0.01 H new ATOM 0 HG SER A 92 16.724 -5.211 18.934 1.00 0.01 H new ATOM 1418 N ARG A 93 16.485 -7.588 19.155 1.00 0.01 N ATOM 1419 CA ARG A 93 16.278 -8.608 20.222 1.00 0.01 C ATOM 1420 C ARG A 93 15.754 -9.900 19.597 1.00 0.01 C ATOM 1421 O ARG A 93 16.039 -10.986 20.060 1.00 0.01 O ATOM 1422 CB ARG A 93 15.269 -8.077 21.243 1.00 0.00 C ATOM 1423 CG ARG A 93 15.911 -6.935 22.041 1.00 0.01 C ATOM 1424 CD ARG A 93 14.858 -6.160 22.838 1.00 0.01 C ATOM 1425 NE ARG A 93 14.314 -7.033 23.938 1.00 0.00 N ATOM 1426 CZ ARG A 93 13.411 -7.940 23.722 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.831 -8.025 22.557 1.00 0.00 N ATOM 1428 NH2 ARG A 93 13.050 -8.741 24.687 1.00 0.01 N ATOM 0 H ARG A 93 15.860 -6.783 19.204 1.00 0.01 H new ATOM 0 HA ARG A 93 17.224 -8.811 20.724 1.00 0.01 H new ATOM 0 HB2 ARG A 93 14.372 -7.722 20.735 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.959 -8.877 21.915 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.661 -7.339 22.721 1.00 0.01 H new ATOM 0 HG3 ARG A 93 16.428 -6.258 21.361 1.00 0.01 H new ATOM 0 HD2 ARG A 93 15.299 -5.257 23.261 1.00 0.01 H new ATOM 0 HD3 ARG A 93 14.050 -5.842 22.179 1.00 0.01 H new ATOM 0 HE ARG A 93 14.668 -6.907 24.886 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.087 -7.377 21.812 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.122 -8.739 22.391 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.477 -8.654 25.609 1.00 0.01 H new ATOM 0 HH22 ARG A 93 12.341 -9.454 24.519 1.00 0.01 H new ATOM 1442 N ASN A 94 14.986 -9.791 18.548 1.00 0.01 N ATOM 1443 CA ASN A 94 14.444 -11.013 17.896 1.00 0.01 C ATOM 1444 C ASN A 94 15.609 -11.845 17.358 1.00 0.01 C ATOM 1445 O ASN A 94 15.476 -13.027 17.109 1.00 0.01 O ATOM 1446 CB ASN A 94 13.514 -10.616 16.748 1.00 0.01 C ATOM 1447 CG ASN A 94 12.256 -9.955 17.317 1.00 0.01 C ATOM 1448 OD1 ASN A 94 11.942 -8.830 16.983 1.00 0.00 O ATOM 1449 ND2 ASN A 94 11.516 -10.612 18.168 1.00 0.01 N ATOM 0 H ASN A 94 14.711 -8.909 18.116 1.00 0.01 H new ATOM 0 HA ASN A 94 13.878 -11.599 18.620 1.00 0.01 H new ATOM 0 HB2 ASN A 94 14.025 -9.930 16.073 1.00 0.01 H new ATOM 0 HB3 ASN A 94 13.243 -11.496 16.164 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.675 -10.181 18.552 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.779 -11.557 18.449 1.00 0.01 H new ATOM 1456 N MET A 95 16.755 -11.241 17.188 1.00 0.01 N ATOM 1457 CA MET A 95 17.927 -12.007 16.684 1.00 0.01 C ATOM 1458 C MET A 95 18.220 -13.132 17.668 1.00 0.01 C ATOM 1459 O MET A 95 18.531 -14.244 17.291 1.00 0.01 O ATOM 1460 CB MET A 95 19.148 -11.087 16.602 1.00 0.01 C ATOM 1461 CG MET A 95 18.896 -9.993 15.568 1.00 0.01 C ATOM 1462 SD MET A 95 18.995 -10.707 13.909 1.00 0.01 S ATOM 1463 CE MET A 95 18.715 -9.180 12.980 1.00 0.01 C ATOM 0 H MET A 95 16.928 -10.254 17.376 1.00 0.01 H new ATOM 0 HA MET A 95 17.712 -12.408 15.694 1.00 0.01 H new ATOM 0 HB2 MET A 95 19.346 -10.641 17.577 1.00 0.01 H new ATOM 0 HB3 MET A 95 20.032 -11.663 16.329 1.00 0.01 H new ATOM 0 HG2 MET A 95 17.915 -9.546 15.726 1.00 0.01 H new ATOM 0 HG3 MET A 95 19.631 -9.196 15.678 1.00 0.01 H new ATOM 0 HE1 MET A 95 18.111 -9.396 12.098 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.192 -8.461 13.611 1.00 0.01 H new ATOM 0 HE3 MET A 95 19.673 -8.762 12.670 1.00 0.01 H new ATOM 1473 N LEU A 96 18.108 -12.846 18.933 1.00 0.01 N ATOM 1474 CA LEU A 96 18.363 -13.885 19.964 1.00 0.01 C ATOM 1475 C LEU A 96 17.309 -14.982 19.818 1.00 0.01 C ATOM 1476 O LEU A 96 17.584 -16.153 19.981 1.00 0.01 O ATOM 1477 CB LEU A 96 18.246 -13.259 21.357 1.00 0.01 C ATOM 1478 CG LEU A 96 19.268 -12.127 21.516 1.00 0.01 C ATOM 1479 CD1 LEU A 96 19.114 -11.512 22.911 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.698 -12.668 21.342 1.00 0.01 C ATOM 0 H LEU A 96 17.849 -11.930 19.299 1.00 0.01 H new ATOM 0 HA LEU A 96 19.362 -14.301 19.836 1.00 0.01 H new ATOM 0 HB2 LEU A 96 17.238 -12.872 21.506 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.412 -14.019 22.120 1.00 0.01 H new ATOM 0 HG LEU A 96 19.089 -11.370 20.753 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.837 -10.705 23.035 1.00 0.01 H new ATOM 0 HD12 LEU A 96 18.105 -11.116 23.025 1.00 0.01 H new ATOM 0 HD13 LEU A 96 19.291 -12.277 23.667 1.00 0.01 H new ATOM 0 HD21 LEU A 96 21.412 -11.853 21.458 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.893 -13.431 22.096 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.804 -13.105 20.349 1.00 0.01 H new ATOM 1492 N GLU A 97 16.096 -14.601 19.514 1.00 0.01 N ATOM 1493 CA GLU A 97 14.999 -15.600 19.356 1.00 0.01 C ATOM 1494 C GLU A 97 14.078 -15.152 18.217 1.00 0.01 C ATOM 1495 O GLU A 97 13.020 -14.603 18.457 1.00 0.01 O ATOM 1496 CB GLU A 97 14.188 -15.654 20.650 1.00 0.01 C ATOM 1497 CG GLU A 97 13.222 -16.838 20.602 1.00 0.01 C ATOM 1498 CD GLU A 97 12.274 -16.768 21.800 1.00 0.01 C ATOM 1499 OE1 GLU A 97 12.611 -17.327 22.830 1.00 0.01 O ATOM 1500 OE2 GLU A 97 11.229 -16.152 21.669 1.00 0.01 O ATOM 0 H GLU A 97 15.816 -13.631 19.367 1.00 0.01 H new ATOM 0 HA GLU A 97 15.419 -16.581 19.135 1.00 0.01 H new ATOM 0 HB2 GLU A 97 14.856 -15.751 21.506 1.00 0.01 H new ATOM 0 HB3 GLU A 97 13.634 -14.725 20.783 1.00 0.01 H new ATOM 0 HG2 GLU A 97 12.653 -16.820 19.672 1.00 0.01 H new ATOM 0 HG3 GLU A 97 13.777 -17.776 20.618 1.00 0.01 H new ATOM 1507 N PRO A 98 14.466 -15.374 16.983 1.00 0.01 N ATOM 1508 CA PRO A 98 13.620 -14.957 15.831 1.00 0.01 C ATOM 1509 C PRO A 98 12.250 -15.648 15.847 1.00 0.01 C ATOM 1510 O PRO A 98 12.154 -16.858 15.786 1.00 0.01 O ATOM 1511 CB PRO A 98 14.468 -15.385 14.615 1.00 0.00 C ATOM 1512 CG PRO A 98 15.845 -15.856 15.126 1.00 0.01 C ATOM 1513 CD PRO A 98 15.754 -16.046 16.649 1.00 0.01 C ATOM 0 HA PRO A 98 13.383 -13.893 15.835 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.971 -16.187 14.069 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.585 -14.552 13.922 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.130 -16.791 14.643 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.613 -15.123 14.880 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.745 -17.100 16.926 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.597 -15.587 17.166 1.00 0.01 H new ATOM 1521 N THR A 99 11.194 -14.878 15.935 1.00 0.01 N ATOM 1522 CA THR A 99 9.815 -15.463 15.964 1.00 0.01 C ATOM 1523 C THR A 99 8.982 -14.861 14.832 1.00 0.01 C ATOM 1524 O THR A 99 9.384 -13.913 14.187 1.00 0.01 O ATOM 1525 CB THR A 99 9.157 -15.128 17.307 1.00 0.00 C ATOM 1526 OG1 THR A 99 9.254 -13.730 17.544 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.864 -15.889 18.432 1.00 0.00 C ATOM 0 H THR A 99 11.227 -13.860 15.989 1.00 0.01 H new ATOM 0 HA THR A 99 9.873 -16.544 15.838 1.00 0.01 H new ATOM 0 HB THR A 99 8.108 -15.421 17.279 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.358 -13.359 17.686 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.394 -15.649 19.385 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.788 -16.961 18.250 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.915 -15.600 18.463 1.00 0.00 H new ATOM 1535 N ILE A 100 7.820 -15.404 14.591 1.00 0.00 N ATOM 1536 CA ILE A 100 6.956 -14.868 13.504 1.00 0.01 C ATOM 1537 C ILE A 100 6.402 -13.510 13.945 1.00 0.01 C ATOM 1538 O ILE A 100 5.912 -12.735 13.147 1.00 0.01 O ATOM 1539 CB ILE A 100 5.803 -15.853 13.234 1.00 0.00 C ATOM 1540 CG1 ILE A 100 5.072 -15.475 11.932 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.806 -15.820 14.396 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.957 -15.751 10.705 1.00 0.01 C ATOM 0 H ILE A 100 7.432 -16.197 15.102 1.00 0.00 H new ATOM 0 HA ILE A 100 7.532 -14.745 12.587 1.00 0.01 H new ATOM 0 HB ILE A 100 6.220 -16.855 13.136 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.146 -16.044 11.852 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.798 -14.420 11.957 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.993 -16.519 14.198 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.313 -16.104 15.318 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.401 -14.813 14.500 1.00 0.01 H new ATOM 0 HD11 ILE A 100 5.418 -15.476 9.798 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.872 -15.162 10.776 1.00 0.01 H new ATOM 0 HD13 ILE A 100 6.209 -16.811 10.669 1.00 0.01 H new ATOM 1554 N THR A 101 6.478 -13.218 15.217 1.00 0.00 N ATOM 1555 CA THR A 101 5.958 -11.914 15.726 1.00 0.01 C ATOM 1556 C THR A 101 7.091 -10.885 15.746 1.00 0.01 C ATOM 1557 O THR A 101 6.917 -9.762 16.173 1.00 0.01 O ATOM 1558 CB THR A 101 5.418 -12.100 17.147 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.469 -12.537 17.997 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.299 -13.141 17.138 1.00 0.01 C ATOM 0 H THR A 101 6.879 -13.829 15.928 1.00 0.00 H new ATOM 0 HA THR A 101 5.158 -11.564 15.074 1.00 0.01 H new ATOM 0 HB THR A 101 5.024 -11.152 17.514 1.00 0.01 H new ATOM 0 HG1 THR A 101 6.126 -12.655 18.907 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.916 -13.272 18.150 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.493 -12.804 16.486 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.689 -14.091 16.772 1.00 0.01 H new ATOM 1568 N CYS A 102 8.255 -11.264 15.295 1.00 0.00 N ATOM 1569 CA CYS A 102 9.405 -10.317 15.292 1.00 0.00 C ATOM 1570 C CYS A 102 9.088 -9.087 14.428 1.00 0.01 C ATOM 1571 O CYS A 102 9.182 -7.963 14.879 1.00 0.01 O ATOM 1572 CB CYS A 102 10.641 -11.029 14.731 1.00 0.00 C ATOM 1573 SG CYS A 102 11.940 -9.818 14.376 1.00 0.01 S ATOM 0 H CYS A 102 8.460 -12.193 14.927 1.00 0.00 H new ATOM 0 HA CYS A 102 9.595 -9.987 16.313 1.00 0.00 H new ATOM 0 HB2 CYS A 102 11.004 -11.766 15.448 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.378 -11.571 13.822 1.00 0.00 H new ATOM 0 HG CYS A 102 11.915 -8.879 15.274 1.00 0.01 H new ATOM 1579 N PHE A 103 8.736 -9.288 13.182 1.00 0.00 N ATOM 1580 CA PHE A 103 8.440 -8.125 12.282 1.00 0.01 C ATOM 1581 C PHE A 103 6.935 -7.841 12.216 1.00 0.01 C ATOM 1582 O PHE A 103 6.514 -6.894 11.581 1.00 0.00 O ATOM 1583 CB PHE A 103 8.951 -8.446 10.876 1.00 0.00 C ATOM 1584 CG PHE A 103 10.461 -8.430 10.871 1.00 0.00 C ATOM 1585 CD1 PHE A 103 11.176 -9.602 11.149 1.00 0.01 C ATOM 1586 CD2 PHE A 103 11.146 -7.245 10.585 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.576 -9.585 11.142 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.546 -7.227 10.577 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.261 -8.399 10.856 1.00 0.00 C ATOM 0 H PHE A 103 8.640 -10.206 12.747 1.00 0.00 H new ATOM 0 HA PHE A 103 8.938 -7.241 12.682 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.586 -9.423 10.560 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.567 -7.716 10.163 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.648 -10.518 11.369 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.594 -6.342 10.370 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.128 -10.488 11.358 1.00 0.01 H new ATOM 0 HE2 PHE A 103 13.074 -6.311 10.356 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.341 -8.387 10.850 1.00 0.00 H new ATOM 1599 N ASP A 104 6.117 -8.636 12.851 1.00 0.01 N ATOM 1600 CA ASP A 104 4.649 -8.364 12.785 1.00 0.01 C ATOM 1601 C ASP A 104 4.362 -6.992 13.382 1.00 0.00 C ATOM 1602 O ASP A 104 3.550 -6.242 12.879 1.00 0.01 O ATOM 1603 CB ASP A 104 3.869 -9.421 13.567 1.00 0.01 C ATOM 1604 CG ASP A 104 3.940 -10.760 12.830 1.00 0.01 C ATOM 1605 OD1 ASP A 104 4.385 -10.764 11.694 1.00 0.01 O ATOM 1606 OD2 ASP A 104 3.537 -11.756 13.409 1.00 0.00 O ATOM 0 H ASP A 104 6.392 -9.448 13.403 1.00 0.01 H new ATOM 0 HA ASP A 104 4.336 -8.394 11.741 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.282 -9.524 14.570 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.830 -9.111 13.680 1.00 0.01 H new ATOM 1611 N GLU A 105 5.024 -6.651 14.451 1.00 0.00 N ATOM 1612 CA GLU A 105 4.786 -5.323 15.071 1.00 0.00 C ATOM 1613 C GLU A 105 5.280 -4.235 14.122 1.00 0.00 C ATOM 1614 O GLU A 105 4.747 -3.147 14.084 1.00 0.01 O ATOM 1615 CB GLU A 105 5.531 -5.223 16.403 1.00 0.00 C ATOM 1616 CG GLU A 105 5.242 -3.863 17.042 1.00 0.00 C ATOM 1617 CD GLU A 105 5.778 -3.845 18.474 1.00 0.01 C ATOM 1618 OE1 GLU A 105 6.205 -4.889 18.938 1.00 0.00 O ATOM 1619 OE2 GLU A 105 5.751 -2.788 19.082 1.00 0.01 O ATOM 0 H GLU A 105 5.717 -7.234 14.920 1.00 0.00 H new ATOM 0 HA GLU A 105 3.719 -5.196 15.256 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.216 -6.026 17.070 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.603 -5.343 16.244 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.708 -3.069 16.458 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.169 -3.670 17.042 1.00 0.00 H new ATOM 1626 N ALA A 106 6.297 -4.517 13.355 1.00 0.00 N ATOM 1627 CA ALA A 106 6.820 -3.488 12.417 1.00 0.00 C ATOM 1628 C ALA A 106 5.790 -3.228 11.321 1.00 0.00 C ATOM 1629 O ALA A 106 5.563 -2.099 10.938 1.00 0.00 O ATOM 1630 CB ALA A 106 8.123 -3.982 11.785 1.00 0.00 C ATOM 0 H ALA A 106 6.786 -5.412 13.338 1.00 0.00 H new ATOM 0 HA ALA A 106 7.011 -2.565 12.964 1.00 0.00 H new ATOM 0 HB1 ALA A 106 8.504 -3.226 11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 106 8.860 -4.166 12.567 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.935 -4.906 11.239 1.00 0.00 H new ATOM 1636 N GLN A 107 5.149 -4.247 10.819 1.00 0.00 N ATOM 1637 CA GLN A 107 4.132 -4.010 9.758 1.00 0.00 C ATOM 1638 C GLN A 107 3.042 -3.098 10.314 1.00 0.00 C ATOM 1639 O GLN A 107 2.565 -2.205 9.645 1.00 0.00 O ATOM 1640 CB GLN A 107 3.508 -5.333 9.308 1.00 0.00 C ATOM 1641 CG GLN A 107 2.454 -5.040 8.238 1.00 0.00 C ATOM 1642 CD GLN A 107 1.997 -6.345 7.587 1.00 0.00 C ATOM 1643 OE1 GLN A 107 1.075 -6.982 8.055 1.00 0.00 O ATOM 1644 NE2 GLN A 107 2.610 -6.772 6.515 1.00 0.00 N ATOM 0 H GLN A 107 5.283 -5.220 11.093 1.00 0.00 H new ATOM 0 HA GLN A 107 4.613 -3.543 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.276 -5.997 8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.053 -5.844 10.156 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.602 -4.529 8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 107 2.866 -4.371 7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.384 -6.236 6.123 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.314 -7.641 6.070 1.00 0.00 H new ATOM 1653 N LYS A 108 2.656 -3.306 11.542 1.00 0.00 N ATOM 1654 CA LYS A 108 1.611 -2.437 12.141 1.00 0.00 C ATOM 1655 C LYS A 108 2.121 -0.999 12.126 1.00 0.00 C ATOM 1656 O LYS A 108 1.391 -0.069 11.842 1.00 0.00 O ATOM 1657 CB LYS A 108 1.343 -2.880 13.581 1.00 0.00 C ATOM 1658 CG LYS A 108 0.267 -1.986 14.198 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.206 -2.578 15.529 1.00 0.01 C ATOM 1660 CE LYS A 108 0.963 -2.656 16.517 1.00 0.00 C ATOM 1661 NZ LYS A 108 1.778 -3.869 16.233 1.00 0.00 N ATOM 0 H LYS A 108 3.019 -4.038 12.153 1.00 0.00 H new ATOM 0 HA LYS A 108 0.683 -2.510 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.020 -3.921 13.598 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.260 -2.821 14.167 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.663 -0.983 14.357 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.575 -1.891 13.513 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.004 -1.964 15.946 1.00 0.01 H new ATOM 0 HD3 LYS A 108 -0.621 -3.572 15.366 1.00 0.01 H new ATOM 0 HE2 LYS A 108 1.582 -1.763 16.435 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.586 -2.690 17.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.015 -4.345 17.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.236 -4.518 15.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.654 -3.592 15.746 1.00 0.00 H new ATOM 1675 N LYS A 109 3.380 -0.811 12.415 1.00 0.01 N ATOM 1676 CA LYS A 109 3.946 0.563 12.401 1.00 0.00 C ATOM 1677 C LYS A 109 3.890 1.098 10.968 1.00 0.00 C ATOM 1678 O LYS A 109 3.567 2.247 10.740 1.00 0.00 O ATOM 1679 CB LYS A 109 5.403 0.517 12.883 1.00 0.00 C ATOM 1680 CG LYS A 109 5.472 0.035 14.342 1.00 0.00 C ATOM 1681 CD LYS A 109 4.910 1.101 15.293 1.00 0.01 C ATOM 1682 CE LYS A 109 5.370 0.813 16.728 1.00 0.00 C ATOM 1683 NZ LYS A 109 4.987 1.949 17.612 1.00 0.01 N ATOM 0 H LYS A 109 4.039 -1.550 12.660 1.00 0.01 H new ATOM 0 HA LYS A 109 3.374 1.215 13.061 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.982 -0.151 12.245 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.852 1.507 12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.907 -0.891 14.451 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.505 -0.188 14.608 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.248 2.090 14.985 1.00 0.01 H new ATOM 0 HD3 LYS A 109 3.821 1.107 15.245 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.916 -0.110 17.088 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.450 0.668 16.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.794 2.207 18.215 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 4.716 2.766 17.029 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 4.184 1.668 18.210 1.00 0.01 H new ATOM 1697 N ILE A 110 4.182 0.271 9.997 1.00 0.00 N ATOM 1698 CA ILE A 110 4.123 0.745 8.585 1.00 0.00 C ATOM 1699 C ILE A 110 2.661 0.975 8.191 1.00 0.00 C ATOM 1700 O ILE A 110 2.328 1.965 7.573 1.00 0.00 O ATOM 1701 CB ILE A 110 4.737 -0.304 7.653 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.208 -0.560 8.027 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.648 0.189 6.208 1.00 0.00 C ATOM 1704 CD1 ILE A 110 7.020 0.745 8.013 1.00 0.00 C ATOM 0 H ILE A 110 4.456 -0.704 10.120 1.00 0.00 H new ATOM 0 HA ILE A 110 4.684 1.675 8.496 1.00 0.00 H new ATOM 0 HB ILE A 110 4.185 -1.238 7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.261 -1.014 9.017 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.646 -1.271 7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.084 -0.555 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.603 0.347 5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.193 1.128 6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.055 0.532 8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.986 1.184 7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.595 1.445 8.732 1.00 0.00 H new ATOM 1716 N PHE A 111 1.780 0.073 8.548 1.00 0.00 N ATOM 1717 CA PHE A 111 0.345 0.261 8.189 1.00 0.00 C ATOM 1718 C PHE A 111 -0.170 1.557 8.833 1.00 0.00 C ATOM 1719 O PHE A 111 -0.774 2.381 8.189 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.489 -0.944 8.696 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.751 -1.930 7.569 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.317 -2.603 6.967 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -2.065 -2.171 7.132 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.076 -3.513 5.929 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.305 -3.080 6.097 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.235 -3.751 5.495 1.00 0.00 C ATOM 0 H PHE A 111 1.992 -0.778 9.068 1.00 0.00 H new ATOM 0 HA PHE A 111 0.247 0.326 7.105 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.041 -1.444 9.507 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.436 -0.591 9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.327 -2.421 7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.891 -1.653 7.597 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.901 -4.031 5.463 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.315 -3.264 5.763 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.420 -4.453 4.695 1.00 0.00 H new ATOM 1736 N ASN A 112 0.052 1.742 10.100 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.451 2.983 10.751 1.00 0.00 C ATOM 1738 C ASN A 112 0.195 4.216 10.116 1.00 0.00 C ATOM 1739 O ASN A 112 -0.461 5.207 9.860 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.116 2.955 12.242 1.00 0.00 C ATOM 1741 CG ASN A 112 -0.988 1.916 12.948 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.159 2.144 13.180 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.465 0.776 13.297 1.00 0.00 N ATOM 0 H ASN A 112 0.554 1.097 10.710 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.531 3.034 10.615 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.938 2.715 12.383 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.280 3.940 12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.038 0.074 13.765 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.518 0.585 13.102 1.00 0.00 H new ATOM 1750 N LEU A 113 1.478 4.177 9.877 1.00 0.00 N ATOM 1751 CA LEU A 113 2.154 5.364 9.282 1.00 0.00 C ATOM 1752 C LEU A 113 1.606 5.647 7.883 1.00 0.00 C ATOM 1753 O LEU A 113 1.169 6.742 7.589 1.00 0.00 O ATOM 1754 CB LEU A 113 3.664 5.100 9.200 1.00 0.00 C ATOM 1755 CG LEU A 113 4.381 6.279 8.518 1.00 0.00 C ATOM 1756 CD1 LEU A 113 4.081 7.588 9.264 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.889 6.018 8.539 1.00 0.00 C ATOM 0 H LEU A 113 2.084 3.379 10.067 1.00 0.00 H new ATOM 0 HA LEU A 113 1.964 6.232 9.913 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.068 4.951 10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.849 4.182 8.642 1.00 0.00 H new ATOM 0 HG LEU A 113 4.028 6.371 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.594 8.414 8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.007 7.773 9.257 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.429 7.508 10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.408 6.847 8.058 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.228 5.927 9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.106 5.094 8.003 1.00 0.00 H new ATOM 1769 N MET A 114 1.641 4.679 7.010 1.00 0.00 N ATOM 1770 CA MET A 114 1.138 4.919 5.633 1.00 0.00 C ATOM 1771 C MET A 114 -0.373 5.197 5.666 1.00 0.00 C ATOM 1772 O MET A 114 -0.858 6.078 4.989 1.00 0.00 O ATOM 1773 CB MET A 114 1.443 3.691 4.757 1.00 0.00 C ATOM 1774 CG MET A 114 0.552 2.518 5.171 1.00 0.00 C ATOM 1775 SD MET A 114 1.304 0.950 4.651 1.00 0.00 S ATOM 1776 CE MET A 114 1.234 1.220 2.865 1.00 0.00 C ATOM 0 H MET A 114 1.994 3.739 7.190 1.00 0.00 H new ATOM 0 HA MET A 114 1.637 5.790 5.209 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.276 3.932 3.707 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.492 3.414 4.857 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.411 2.522 6.252 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.435 2.624 4.721 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.382 0.272 2.348 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.261 1.632 2.597 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.017 1.919 2.572 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.125 4.465 6.448 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.599 4.716 6.492 1.00 0.00 C ATOM 1788 C GLU A 115 -2.895 6.137 6.986 1.00 0.00 C ATOM 1789 O GLU A 115 -3.745 6.824 6.464 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.280 3.715 7.434 1.00 0.00 C ATOM 1791 CG GLU A 115 -3.329 2.339 6.774 1.00 0.01 C ATOM 1792 CD GLU A 115 -3.994 1.339 7.721 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -3.332 0.903 8.649 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -5.152 1.025 7.504 1.00 0.01 O ATOM 0 H GLU A 115 -0.789 3.714 7.051 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.988 4.597 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.734 3.658 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.289 4.052 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.884 2.393 5.838 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -2.321 2.007 6.528 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.222 6.579 8.005 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.499 7.942 8.533 1.00 0.00 C ATOM 1803 C LYS A 116 -2.021 9.019 7.553 1.00 0.01 C ATOM 1804 O LYS A 116 -2.671 10.031 7.381 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.800 8.114 9.885 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.508 7.236 10.922 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.833 7.385 12.287 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.557 6.498 13.306 1.00 0.00 C ATOM 1809 NZ LYS A 116 -3.933 7.025 13.534 1.00 0.00 N ATOM 0 H LYS A 116 -1.494 6.059 8.495 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.576 8.056 8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.750 7.832 9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.827 9.159 10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.558 7.520 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.481 6.193 10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.783 7.100 12.220 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.861 8.426 12.608 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.605 5.472 12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.004 6.478 14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.306 6.646 14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.903 8.063 13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.551 6.733 12.750 1.00 0.00 H new ATOM 1823 N ASP A 117 -0.884 8.835 6.932 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.365 9.883 5.991 1.00 0.00 C ATOM 1825 C ASP A 117 -0.689 9.555 4.525 1.00 0.00 C ATOM 1826 O ASP A 117 -0.944 10.445 3.736 1.00 0.00 O ATOM 1827 CB ASP A 117 1.153 9.978 6.150 1.00 0.00 C ATOM 1828 CG ASP A 117 1.487 10.596 7.509 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.635 11.276 8.055 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.591 10.377 7.980 1.00 0.00 O ATOM 0 H ASP A 117 -0.292 8.010 7.032 1.00 0.00 H new ATOM 0 HA ASP A 117 -0.850 10.827 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.600 8.987 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.576 10.585 5.349 1.00 0.00 H new ATOM 1835 N SER A 118 -0.643 8.310 4.127 1.00 0.00 N ATOM 1836 CA SER A 118 -0.909 7.995 2.687 1.00 0.00 C ATOM 1837 C SER A 118 -2.411 7.977 2.383 1.00 0.00 C ATOM 1838 O SER A 118 -2.867 8.662 1.498 1.00 0.01 O ATOM 1839 CB SER A 118 -0.321 6.627 2.337 1.00 0.00 C ATOM 1840 OG SER A 118 -1.219 5.605 2.749 1.00 0.00 O ATOM 0 H SER A 118 -0.437 7.508 4.723 1.00 0.00 H new ATOM 0 HA SER A 118 -0.440 8.775 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.144 6.559 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.644 6.498 2.828 1.00 0.00 H new ATOM 0 HG SER A 118 -1.422 5.712 3.702 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.180 7.189 3.089 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.649 7.116 2.797 1.00 0.00 C ATOM 1848 C TYR A 119 -5.273 8.508 2.849 1.00 0.01 C ATOM 1849 O TYR A 119 -6.006 8.900 1.962 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.335 6.194 3.837 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.888 4.952 3.177 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -5.086 4.206 2.307 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.203 4.549 3.434 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.599 3.063 1.696 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.714 3.403 2.822 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.909 2.662 1.951 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.413 1.535 1.341 1.00 0.00 O ATOM 0 H TYR A 119 -2.859 6.594 3.853 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.792 6.709 1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.618 5.912 4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.140 6.736 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.070 4.515 2.109 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.823 5.124 4.106 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.980 2.487 1.024 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.728 3.090 3.021 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.389 1.525 1.427 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.011 9.252 3.874 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.620 10.599 3.952 1.00 0.01 C ATOM 1869 C ARG A 120 -5.158 11.398 2.740 1.00 0.00 C ATOM 1870 O ARG A 120 -5.935 12.069 2.090 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.153 11.295 5.228 1.00 0.00 C ATOM 1872 CG ARG A 120 -5.504 10.440 6.455 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.023 10.419 6.700 1.00 0.00 C ATOM 1874 NE ARG A 120 -7.595 11.805 6.592 1.00 0.01 N ATOM 1875 CZ ARG A 120 -7.138 12.794 7.313 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -6.291 12.577 8.279 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -7.575 14.004 7.096 1.00 0.01 N ATOM 0 H ARG A 120 -4.408 8.992 4.655 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.707 10.524 3.965 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.077 11.462 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -5.624 12.274 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.142 9.422 6.308 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -4.996 10.835 7.335 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -7.505 9.763 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.232 10.009 7.688 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.359 11.978 5.939 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -5.978 11.627 8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.941 13.357 8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.269 14.173 6.368 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -7.223 14.781 7.655 1.00 0.01 H new ATOM 1891 N ARG A 121 -3.903 11.312 2.418 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.392 12.045 1.234 1.00 0.01 C ATOM 1893 C ARG A 121 -3.940 11.390 -0.040 1.00 0.01 C ATOM 1894 O ARG A 121 -4.279 12.062 -0.987 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.860 12.005 1.237 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.308 12.805 2.430 1.00 0.00 C ATOM 1897 CD ARG A 121 -1.314 14.308 2.120 1.00 0.00 C ATOM 1898 NE ARG A 121 -0.642 15.046 3.224 1.00 0.01 N ATOM 1899 CZ ARG A 121 -0.241 16.272 3.030 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -0.395 16.825 1.859 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.319 16.937 4.001 1.00 0.01 N ATOM 0 H ARG A 121 -3.207 10.765 2.925 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.719 13.084 1.267 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.516 10.972 1.293 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.477 12.419 0.304 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -1.910 12.608 3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.293 12.479 2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.801 14.498 1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.338 14.662 2.003 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.496 14.596 4.127 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -0.827 16.299 1.100 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.083 17.783 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.444 16.499 4.914 1.00 0.01 H new ATOM 0 HH22 ARG A 121 0.632 17.896 3.848 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.018 10.080 -0.074 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.528 9.383 -1.295 1.00 0.01 C ATOM 1917 C PHE A 122 -5.925 9.905 -1.645 1.00 0.01 C ATOM 1918 O PHE A 122 -6.185 10.308 -2.757 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.604 7.862 -1.017 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.114 7.082 -2.210 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.744 6.900 -2.386 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -5.022 6.544 -3.128 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.271 6.178 -3.484 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.550 5.820 -4.229 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.172 5.635 -4.407 1.00 0.00 C ATOM 0 H PHE A 122 -3.750 9.464 0.693 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.854 9.574 -2.130 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -4.002 7.616 -0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.631 7.579 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.048 7.317 -1.673 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.083 6.687 -2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.209 6.039 -3.621 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.247 5.404 -4.941 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.806 5.075 -5.255 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.828 9.894 -0.708 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.200 10.383 -1.003 1.00 0.00 C ATOM 1937 C LEU A 123 -8.118 11.842 -1.441 1.00 0.01 C ATOM 1938 O LEU A 123 -8.808 12.270 -2.344 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.069 10.261 0.250 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.198 8.784 0.649 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -9.854 8.694 2.028 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -10.053 8.020 -0.383 1.00 0.01 C ATOM 0 H LEU A 123 -6.676 9.569 0.247 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.646 9.786 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.627 10.831 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.056 10.684 0.063 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.206 8.334 0.679 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -9.949 7.648 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.238 9.219 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.843 9.151 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -10.135 6.975 -0.085 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -11.048 8.463 -0.430 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.581 8.082 -1.364 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.278 12.611 -0.809 1.00 0.01 N ATOM 1955 CA LYS A 124 -7.146 14.043 -1.193 1.00 0.01 C ATOM 1956 C LYS A 124 -6.186 14.167 -2.380 1.00 0.01 C ATOM 1957 O LYS A 124 -6.036 15.225 -2.959 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.617 14.837 0.002 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.634 14.751 1.143 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.126 15.538 2.349 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.149 15.443 3.486 1.00 0.01 C ATOM 1962 NZ LYS A 124 -8.235 14.030 3.952 1.00 0.01 N ATOM 0 H LYS A 124 -6.676 12.310 -0.042 1.00 0.01 H new ATOM 0 HA LYS A 124 -8.118 14.441 -1.484 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.655 14.438 0.324 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.453 15.877 -0.279 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.595 15.148 0.817 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.797 13.709 1.419 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.164 15.143 2.676 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -6.966 16.581 2.075 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -7.856 16.093 4.310 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -9.125 15.785 3.142 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.890 13.969 4.757 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -8.582 13.429 3.177 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -7.293 13.704 4.247 1.00 0.01 H new ATOM 1976 N SER A 125 -5.535 13.094 -2.753 1.00 0.00 N ATOM 1977 CA SER A 125 -4.594 13.164 -3.911 1.00 0.01 C ATOM 1978 C SER A 125 -5.394 13.342 -5.198 1.00 0.01 C ATOM 1979 O SER A 125 -6.570 13.046 -5.259 1.00 0.01 O ATOM 1980 CB SER A 125 -3.778 11.873 -4.014 1.00 0.01 C ATOM 1981 OG SER A 125 -4.627 10.815 -4.434 1.00 0.01 O ATOM 0 H SER A 125 -5.614 12.179 -2.309 1.00 0.00 H new ATOM 0 HA SER A 125 -3.918 14.006 -3.763 1.00 0.01 H new ATOM 0 HB2 SER A 125 -2.960 12.002 -4.723 1.00 0.01 H new ATOM 0 HB3 SER A 125 -3.330 11.634 -3.050 1.00 0.01 H new ATOM 0 HG SER A 125 -5.473 10.859 -3.941 1.00 0.01 H new ATOM 1987 N ARG A 126 -4.758 13.815 -6.227 1.00 0.01 N ATOM 1988 CA ARG A 126 -5.467 14.007 -7.518 1.00 0.01 C ATOM 1989 C ARG A 126 -5.791 12.645 -8.140 1.00 0.00 C ATOM 1990 O ARG A 126 -6.764 12.498 -8.855 1.00 0.00 O ATOM 1991 CB ARG A 126 -4.585 14.821 -8.474 1.00 0.01 C ATOM 1992 CG ARG A 126 -3.148 14.243 -8.513 1.00 0.01 C ATOM 1993 CD ARG A 126 -2.234 14.969 -7.502 1.00 0.01 C ATOM 1994 NE ARG A 126 -1.214 14.010 -6.985 1.00 0.00 N ATOM 1995 CZ ARG A 126 -0.170 14.446 -6.330 1.00 0.01 C ATOM 1996 NH1 ARG A 126 -0.017 15.724 -6.116 1.00 0.01 N ATOM 1997 NH2 ARG A 126 0.720 13.601 -5.884 1.00 0.01 N ATOM 0 H ARG A 126 -3.773 14.079 -6.230 1.00 0.01 H new ATOM 0 HA ARG A 126 -6.397 14.547 -7.341 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -5.016 14.808 -9.475 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -4.556 15.862 -8.153 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -3.174 13.177 -8.286 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -2.738 14.344 -9.518 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -1.744 15.817 -7.981 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -2.827 15.367 -6.678 1.00 0.01 H new ATOM 0 HE ARG A 126 -1.332 13.009 -7.144 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.713 16.386 -6.460 1.00 0.01 H new ATOM 0 HH12 ARG A 126 0.799 16.061 -5.605 1.00 0.01 H new ATOM 0 HH21 ARG A 126 0.601 12.601 -6.047 1.00 0.01 H new ATOM 0 HH22 ARG A 126 1.535 13.941 -5.373 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.984 11.645 -7.889 1.00 0.01 N ATOM 2012 CA PHE A 127 -5.261 10.306 -8.486 1.00 0.01 C ATOM 2013 C PHE A 127 -6.619 9.799 -7.999 1.00 0.01 C ATOM 2014 O PHE A 127 -7.502 9.511 -8.783 1.00 0.00 O ATOM 2015 CB PHE A 127 -4.176 9.313 -8.059 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.842 9.737 -8.623 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -2.448 9.303 -9.894 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -2.000 10.566 -7.873 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -1.209 9.698 -10.415 1.00 0.01 C ATOM 2020 CE2 PHE A 127 -0.763 10.960 -8.394 1.00 0.00 C ATOM 2021 CZ PHE A 127 -0.367 10.526 -9.665 1.00 0.00 C ATOM 0 H PHE A 127 -4.152 11.698 -7.301 1.00 0.01 H new ATOM 0 HA PHE A 127 -5.268 10.396 -9.572 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -4.122 9.265 -6.971 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -4.428 8.312 -8.410 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -3.099 8.664 -10.473 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -2.305 10.901 -6.893 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.904 9.363 -11.395 1.00 0.01 H new ATOM 0 HE2 PHE A 127 -0.113 11.599 -7.815 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.588 10.830 -10.066 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.792 9.685 -6.712 1.00 0.01 N ATOM 2032 CA TYR A 128 -8.093 9.195 -6.177 1.00 0.01 C ATOM 2033 C TYR A 128 -9.214 10.133 -6.616 1.00 0.01 C ATOM 2034 O TYR A 128 -10.232 9.708 -7.118 1.00 0.00 O ATOM 2035 CB TYR A 128 -8.037 9.163 -4.649 1.00 0.00 C ATOM 2036 CG TYR A 128 -9.306 8.551 -4.103 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -9.382 7.169 -3.892 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -10.405 9.365 -3.808 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.558 6.601 -3.387 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.581 8.798 -3.302 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.658 7.415 -3.093 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.817 6.856 -2.596 1.00 0.01 O ATOM 0 H TYR A 128 -6.089 9.910 -6.008 1.00 0.01 H new ATOM 0 HA TYR A 128 -8.284 8.192 -6.560 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -7.173 8.586 -4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.913 10.173 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.533 6.541 -4.119 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -10.346 10.431 -3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.616 5.535 -3.224 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -12.429 9.427 -3.073 1.00 0.01 H new ATOM 0 HH TYR A 128 -13.481 7.560 -2.445 1.00 0.01 H new ATOM 2052 N LEU A 129 -9.040 11.410 -6.417 1.00 0.01 N ATOM 2053 CA LEU A 129 -10.105 12.378 -6.805 1.00 0.01 C ATOM 2054 C LEU A 129 -10.381 12.288 -8.309 1.00 0.01 C ATOM 2055 O LEU A 129 -11.514 12.158 -8.730 1.00 0.01 O ATOM 2056 CB LEU A 129 -9.649 13.800 -6.461 1.00 0.01 C ATOM 2057 CG LEU A 129 -9.506 13.962 -4.940 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -8.946 15.355 -4.635 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.875 13.792 -4.251 1.00 0.01 C ATOM 0 H LEU A 129 -8.206 11.826 -6.002 1.00 0.01 H new ATOM 0 HA LEU A 129 -11.018 12.137 -6.260 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -8.696 14.011 -6.947 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -10.369 14.523 -6.844 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.828 13.198 -4.561 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -8.842 15.477 -3.557 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -7.971 15.467 -5.109 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -9.627 16.113 -5.022 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.757 13.910 -3.174 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -11.567 14.547 -4.625 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -11.270 12.799 -4.467 1.00 0.01 H new ATOM 2071 N ASP A 130 -9.364 12.348 -9.126 1.00 0.56 N ATOM 2072 CA ASP A 130 -9.600 12.258 -10.596 1.00 0.91 C ATOM 2073 C ASP A 130 -10.266 10.917 -10.903 1.00 1.05 C ATOM 2074 O ASP A 130 -11.208 10.835 -11.663 1.00 1.91 O ATOM 2075 CB ASP A 130 -8.267 12.356 -11.342 1.00 2.23 C ATOM 2076 CG ASP A 130 -7.718 13.779 -11.224 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -8.498 14.673 -10.936 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -6.527 13.952 -11.422 1.00 3.36 O ATOM 0 H ASP A 130 -8.390 12.454 -8.843 1.00 0.56 H new ATOM 0 HA ASP A 130 -10.244 13.076 -10.919 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -7.553 11.644 -10.927 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -8.405 12.094 -12.391 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.785 9.869 -10.300 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.387 8.529 -10.530 1.00 1.68 C ATOM 2085 C LEU A 131 -11.764 8.487 -9.863 1.00 2.00 C ATOM 2086 O LEU A 131 -12.684 7.856 -10.345 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.476 7.461 -9.916 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.170 7.363 -10.720 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.124 6.605 -9.898 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.405 6.622 -12.052 1.00 3.54 C ATOM 0 H LEU A 131 -8.996 9.883 -9.654 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.495 8.339 -11.598 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.256 7.711 -8.878 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -9.984 6.496 -9.911 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.817 8.371 -10.937 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.196 6.534 -10.466 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -6.938 7.138 -8.965 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -7.491 5.603 -9.677 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.468 6.563 -12.606 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -8.770 5.615 -11.849 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -9.143 7.163 -12.644 1.00 3.54 H new ATOM 2102 N THR A 132 -11.904 9.161 -8.748 1.00 2.68 N ATOM 2103 CA THR A 132 -13.204 9.183 -8.013 1.00 3.30 C ATOM 2104 C THR A 132 -13.850 10.557 -8.171 1.00 3.72 C ATOM 2105 O THR A 132 -13.896 11.342 -7.245 1.00 3.94 O ATOM 2106 CB THR A 132 -12.943 8.916 -6.524 1.00 3.80 C ATOM 2107 OG1 THR A 132 -12.284 10.045 -5.962 1.00 4.04 O ATOM 2108 CG2 THR A 132 -12.057 7.663 -6.342 1.00 4.63 C ATOM 0 H THR A 132 -11.160 9.705 -8.311 1.00 2.68 H new ATOM 0 HA THR A 132 -13.868 8.418 -8.416 1.00 3.30 H new ATOM 0 HB THR A 132 -13.895 8.744 -6.022 1.00 3.80 H new ATOM 0 HG1 THR A 132 -12.070 9.865 -5.023 1.00 4.04 H new ATOM 0 HG21 THR A 132 -11.884 7.491 -5.280 1.00 4.63 H new ATOM 0 HG22 THR A 132 -12.559 6.797 -6.773 1.00 4.63 H new ATOM 0 HG23 THR A 132 -11.102 7.816 -6.845 1.00 4.63 H new ATOM 2116 N ASN A 133 -14.353 10.852 -9.335 1.00 4.23 N ATOM 2117 CA ASN A 133 -14.999 12.176 -9.547 1.00 4.82 C ATOM 2118 C ASN A 133 -16.445 12.105 -9.014 1.00 5.34 C ATOM 2119 O ASN A 133 -17.160 11.175 -9.335 1.00 5.43 O ATOM 2120 CB ASN A 133 -15.025 12.490 -11.044 1.00 5.42 C ATOM 2121 CG ASN A 133 -13.602 12.782 -11.530 1.00 5.90 C ATOM 2122 OD1 ASN A 133 -13.079 12.079 -12.370 1.00 6.06 O ATOM 2123 ND2 ASN A 133 -12.952 13.802 -11.035 1.00 6.48 N ATOM 0 H ASN A 133 -14.345 10.236 -10.148 1.00 4.23 H new ATOM 0 HA ASN A 133 -14.444 12.955 -9.024 1.00 4.82 H new ATOM 0 HB2 ASN A 133 -15.443 11.648 -11.596 1.00 5.42 H new ATOM 0 HB3 ASN A 133 -15.669 13.348 -11.235 1.00 5.42 H new ATOM 0 HD21 ASN A 133 -12.005 14.007 -11.355 1.00 6.48 H new ATOM 0 HD22 ASN A 133 -13.391 14.393 -10.329 1.00 6.48 H new TER 2130 ASN A 133