USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1047 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 9 LYS NZ :NH3+ -110:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 131 GLN : amide:sc= 1.94 K(o=3.1,f=-7.6!) USER MOD Set 2.1: A 103 SER OG : rot 100:sc= 1.24 USER MOD Set 2.2: A 118 THR OG1 : rot -54:sc= 2.2 USER MOD Set 3.1: A 95 GLN :FLIP amide:sc= 1.11 F(o=1.8!,f=2.5) USER MOD Set 3.2: A 102 THR OG1 : rot -94:sc= 1.42 USER MOD Set 4.1: A 82 SER OG : rot -111:sc= 0.905 USER MOD Set 4.2: A 93 HIS : no HD1:sc= 0.186 K(o=1.1,f=-5.8!) USER MOD Set 5.1: A 53 THR OG1 : rot 180:sc= 0.921 USER MOD Set 5.2: A 60 THR OG1 : rot 36:sc= 1.62 USER MOD Set 5.3: A 74 THR OG1 : rot 90:sc= 0.687 USER MOD Set 6.1: A 40 THR OG1 : rot 11:sc= 1.59 USER MOD Set 6.2: A 128 TYR OH : rot 135:sc= 0.954 USER MOD Single : A 1 VAL N :NH3+ 180:sc= -0.0121 (180deg=-0.0121) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 23:sc= 1.24 USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00873) USER MOD Single : A 15 ASN : amide:sc=-0.00804 K(o=-0.008,f=-1.3) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -157:sc= -0.158 (180deg=-1.02) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0576) USER MOD Single : A 22 SER OG : rot -24:sc= 0.467 USER MOD Single : A 29 THR OG1 : rot -170:sc= 0.103 USER MOD Single : A 31 GLN : amide:sc= 1.04 K(o=1,f=-0.7) USER MOD Single : A 34 ASN : amide:sc= -0.873 K(o=-0.87,f=-9.1!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 46:sc= 0.852 USER MOD Single : A 45 ASN : amide:sc= -0.0789 K(o=-0.079,f=-2.5) USER MOD Single : A 48 THR OG1 : rot -101:sc= 1.01 USER MOD Single : A 52 LYS NZ :NH3+ -126:sc= 0.976 (180deg=-0.855!) USER MOD Single : A 54 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 1.16 (180deg=1.05) USER MOD Single : A 59 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.69) USER MOD Single : A 63 SER OG : rot 37:sc= 0.614 USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 2.24 (180deg=2.15) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0.841 (180deg=-0.0611) USER MOD Single : A 81 LYS NZ :NH3+ -142:sc= 1.12 (180deg=0.231) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.97 X(o=-0.97,f=-0.79) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.247 F(o=-0.88,f=-0.25) USER MOD Single : A 108 MET CE :methyl -173:sc= -0.0172 (180deg=-0.0458) USER MOD Single : A 112 LYS NZ :NH3+ 173:sc= 1.06 (180deg=0.926) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= 0.262 K(o=0.26,f=-3.8!) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 CYS SG : rot -115:sc= -3.09! USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -176:sc= 2.92 (180deg=2.85) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.781 -11.912 -3.216 1.00 0.00 N ATOM 2 CA VAL A 1 12.041 -11.199 -1.976 1.00 0.00 C ATOM 3 C VAL A 1 12.929 -9.980 -2.248 1.00 0.00 C ATOM 4 O VAL A 1 12.524 -8.851 -1.966 1.00 0.00 O ATOM 5 CB VAL A 1 12.541 -12.170 -0.886 1.00 0.00 C ATOM 6 CG1 VAL A 1 13.736 -13.042 -1.285 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.881 -11.446 0.421 1.00 0.00 C ATOM 0 H1 VAL A 1 11.178 -12.737 -3.022 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.298 -11.280 -3.885 1.00 0.00 H new ATOM 0 H3 VAL A 1 12.681 -12.230 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 1 11.120 -10.787 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 1 11.691 -12.838 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.010 -13.688 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 1 13.468 -13.655 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 1 14.582 -12.404 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.228 -12.170 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.665 -10.711 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 1 11.992 -10.941 0.799 1.00 0.00 H new ATOM 19 N ASP A 2 14.088 -10.179 -2.881 1.00 0.00 N ATOM 20 CA ASP A 2 15.022 -9.138 -3.315 1.00 0.00 C ATOM 21 C ASP A 2 14.308 -8.041 -4.107 1.00 0.00 C ATOM 22 O ASP A 2 14.643 -6.853 -4.038 1.00 0.00 O ATOM 23 CB ASP A 2 16.091 -9.764 -4.227 1.00 0.00 C ATOM 24 CG ASP A 2 16.666 -11.060 -3.681 1.00 0.00 C ATOM 25 OD1 ASP A 2 15.870 -12.025 -3.628 1.00 0.00 O ATOM 26 OD2 ASP A 2 17.861 -11.055 -3.320 1.00 0.00 O ATOM 0 H ASP A 2 14.416 -11.116 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 2 15.470 -8.699 -2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.655 -9.953 -5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.900 -9.048 -4.370 1.00 0.00 H new ATOM 31 N ALA A 3 13.327 -8.477 -4.896 1.00 0.00 N ATOM 32 CA ALA A 3 12.539 -7.660 -5.795 1.00 0.00 C ATOM 33 C ALA A 3 11.567 -6.752 -5.041 1.00 0.00 C ATOM 34 O ALA A 3 11.057 -5.801 -5.623 1.00 0.00 O ATOM 35 CB ALA A 3 11.782 -8.582 -6.751 1.00 0.00 C ATOM 0 H ALA A 3 13.053 -9.459 -4.921 1.00 0.00 H new ATOM 0 HA ALA A 3 13.209 -7.005 -6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.182 -7.983 -7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.494 -9.180 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.129 -9.242 -6.180 1.00 0.00 H new ATOM 41 N PHE A 4 11.330 -7.026 -3.756 1.00 0.00 N ATOM 42 CA PHE A 4 10.357 -6.331 -2.931 1.00 0.00 C ATOM 43 C PHE A 4 11.066 -5.567 -1.814 1.00 0.00 C ATOM 44 O PHE A 4 10.860 -4.364 -1.676 1.00 0.00 O ATOM 45 CB PHE A 4 9.342 -7.360 -2.416 1.00 0.00 C ATOM 46 CG PHE A 4 8.554 -8.006 -3.540 1.00 0.00 C ATOM 47 CD1 PHE A 4 7.635 -7.233 -4.276 1.00 0.00 C ATOM 48 CD2 PHE A 4 8.905 -9.290 -4.001 1.00 0.00 C ATOM 49 CE1 PHE A 4 7.090 -7.728 -5.473 1.00 0.00 C ATOM 50 CE2 PHE A 4 8.356 -9.784 -5.196 1.00 0.00 C ATOM 51 CZ PHE A 4 7.462 -8.999 -5.939 1.00 0.00 C ATOM 0 H PHE A 4 11.828 -7.760 -3.252 1.00 0.00 H new ATOM 0 HA PHE A 4 9.812 -5.583 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.865 -8.132 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.653 -6.873 -1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.348 -6.255 -3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.597 -9.896 -3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.386 -7.131 -6.034 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.623 -10.771 -5.544 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.060 -9.372 -6.869 1.00 0.00 H new ATOM 61 N VAL A 5 11.924 -6.254 -1.053 1.00 0.00 N ATOM 62 CA VAL A 5 12.697 -5.705 0.059 1.00 0.00 C ATOM 63 C VAL A 5 13.290 -4.336 -0.288 1.00 0.00 C ATOM 64 O VAL A 5 14.173 -4.252 -1.146 1.00 0.00 O ATOM 65 CB VAL A 5 13.818 -6.697 0.434 1.00 0.00 C ATOM 66 CG1 VAL A 5 14.865 -6.071 1.372 1.00 0.00 C ATOM 67 CG2 VAL A 5 13.243 -7.932 1.132 1.00 0.00 C ATOM 0 H VAL A 5 12.104 -7.247 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 5 12.030 -5.563 0.909 1.00 0.00 H new ATOM 0 HB VAL A 5 14.299 -6.974 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.632 -6.810 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.325 -5.213 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.381 -5.747 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.053 -8.616 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.726 -7.628 2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.541 -8.433 0.465 1.00 0.00 H new ATOM 77 N GLY A 6 12.856 -3.279 0.400 1.00 0.00 N ATOM 78 CA GLY A 6 13.553 -2.004 0.409 1.00 0.00 C ATOM 79 C GLY A 6 12.606 -0.813 0.476 1.00 0.00 C ATOM 80 O GLY A 6 11.384 -0.959 0.518 1.00 0.00 O ATOM 0 H GLY A 6 12.008 -3.289 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.231 -1.972 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.166 -1.924 -0.488 1.00 0.00 H new ATOM 84 N THR A 7 13.204 0.377 0.458 1.00 0.00 N ATOM 85 CA THR A 7 12.512 1.641 0.299 1.00 0.00 C ATOM 86 C THR A 7 12.594 2.007 -1.176 1.00 0.00 C ATOM 87 O THR A 7 13.691 2.023 -1.739 1.00 0.00 O ATOM 88 CB THR A 7 13.168 2.711 1.183 1.00 0.00 C ATOM 89 OG1 THR A 7 13.132 2.266 2.526 1.00 0.00 O ATOM 90 CG2 THR A 7 12.430 4.052 1.060 1.00 0.00 C ATOM 0 H THR A 7 14.214 0.484 0.557 1.00 0.00 H new ATOM 0 HA THR A 7 11.469 1.570 0.608 1.00 0.00 H new ATOM 0 HB THR A 7 14.198 2.863 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.549 2.938 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.914 4.793 1.696 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.458 4.389 0.024 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.393 3.927 1.373 1.00 0.00 H new ATOM 98 N TRP A 8 11.448 2.295 -1.791 1.00 0.00 N ATOM 99 CA TRP A 8 11.344 2.695 -3.181 1.00 0.00 C ATOM 100 C TRP A 8 10.766 4.110 -3.233 1.00 0.00 C ATOM 101 O TRP A 8 10.089 4.525 -2.290 1.00 0.00 O ATOM 102 CB TRP A 8 10.438 1.704 -3.920 1.00 0.00 C ATOM 103 CG TRP A 8 10.729 0.245 -3.714 1.00 0.00 C ATOM 104 CD1 TRP A 8 10.370 -0.484 -2.630 1.00 0.00 C ATOM 105 CD2 TRP A 8 11.419 -0.686 -4.602 1.00 0.00 C ATOM 106 NE1 TRP A 8 10.785 -1.788 -2.787 1.00 0.00 N ATOM 107 CE2 TRP A 8 11.432 -1.968 -3.984 1.00 0.00 C ATOM 108 CE3 TRP A 8 12.018 -0.593 -5.876 1.00 0.00 C ATOM 109 CZ2 TRP A 8 12.006 -3.090 -4.587 1.00 0.00 C ATOM 110 CZ3 TRP A 8 12.643 -1.705 -6.473 1.00 0.00 C ATOM 111 CH2 TRP A 8 12.623 -2.958 -5.838 1.00 0.00 C ATOM 0 H TRP A 8 10.545 2.253 -1.318 1.00 0.00 H new ATOM 0 HA TRP A 8 12.322 2.692 -3.663 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.408 1.892 -3.617 1.00 0.00 H new ATOM 0 HB3 TRP A 8 10.500 1.916 -4.987 1.00 0.00 H new ATOM 0 HD1 TRP A 8 9.838 -0.100 -1.772 1.00 0.00 H new ATOM 0 HE1 TRP A 8 10.631 -2.526 -2.100 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.997 0.349 -6.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 11.974 -4.050 -4.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.141 -1.594 -7.425 1.00 0.00 H new ATOM 0 HH2 TRP A 8 13.080 -3.814 -6.311 1.00 0.00 H new ATOM 122 N LYS A 9 11.006 4.842 -4.326 1.00 0.00 N ATOM 123 CA LYS A 9 10.223 6.027 -4.674 1.00 0.00 C ATOM 124 C LYS A 9 9.580 5.807 -6.035 1.00 0.00 C ATOM 125 O LYS A 9 10.142 5.097 -6.868 1.00 0.00 O ATOM 126 CB LYS A 9 11.067 7.315 -4.696 1.00 0.00 C ATOM 127 CG LYS A 9 10.962 8.111 -3.386 1.00 0.00 C ATOM 128 CD LYS A 9 11.406 9.577 -3.538 1.00 0.00 C ATOM 129 CE LYS A 9 12.887 9.744 -3.904 1.00 0.00 C ATOM 130 NZ LYS A 9 13.784 9.374 -2.793 1.00 0.00 N ATOM 0 H LYS A 9 11.748 4.628 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 9 9.464 6.163 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.111 7.058 -4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.743 7.943 -5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.931 8.084 -3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.574 7.629 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.796 10.053 -4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.211 10.104 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.116 9.127 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.074 10.779 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.239 10.229 -2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.233 8.913 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.513 8.718 -3.139 1.00 0.00 H new ATOM 144 N LEU A 10 8.411 6.419 -6.245 1.00 0.00 N ATOM 145 CA LEU A 10 7.824 6.554 -7.571 1.00 0.00 C ATOM 146 C LEU A 10 8.807 7.322 -8.453 1.00 0.00 C ATOM 147 O LEU A 10 9.509 8.198 -7.947 1.00 0.00 O ATOM 148 CB LEU A 10 6.490 7.305 -7.435 1.00 0.00 C ATOM 149 CG LEU A 10 5.778 7.593 -8.771 1.00 0.00 C ATOM 150 CD1 LEU A 10 4.267 7.550 -8.560 1.00 0.00 C ATOM 151 CD2 LEU A 10 6.088 8.980 -9.340 1.00 0.00 C ATOM 0 H LEU A 10 7.850 6.832 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 10 7.631 5.583 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.822 6.722 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.671 8.250 -6.923 1.00 0.00 H new ATOM 0 HG LEU A 10 6.136 6.834 -9.467 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.762 7.754 -9.504 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.978 6.563 -8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.981 8.303 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.554 9.115 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.771 9.744 -8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.160 9.070 -9.515 1.00 0.00 H new ATOM 163 N VAL A 11 8.839 7.040 -9.757 1.00 0.00 N ATOM 164 CA VAL A 11 9.553 7.893 -10.703 1.00 0.00 C ATOM 165 C VAL A 11 8.704 8.187 -11.941 1.00 0.00 C ATOM 166 O VAL A 11 8.439 9.354 -12.222 1.00 0.00 O ATOM 167 CB VAL A 11 10.967 7.354 -10.975 1.00 0.00 C ATOM 168 CG1 VAL A 11 10.989 5.877 -11.363 1.00 0.00 C ATOM 169 CG2 VAL A 11 11.703 8.170 -12.044 1.00 0.00 C ATOM 0 H VAL A 11 8.381 6.232 -10.178 1.00 0.00 H new ATOM 0 HA VAL A 11 9.717 8.874 -10.256 1.00 0.00 H new ATOM 0 HB VAL A 11 11.489 7.457 -10.024 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.018 5.563 -11.541 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.562 5.282 -10.555 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.403 5.730 -12.270 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.697 7.751 -12.201 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.143 8.135 -12.978 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.794 9.205 -11.714 1.00 0.00 H new ATOM 179 N ASP A 12 8.245 7.153 -12.648 1.00 0.00 N ATOM 180 CA ASP A 12 7.449 7.298 -13.863 1.00 0.00 C ATOM 181 C ASP A 12 6.003 6.933 -13.530 1.00 0.00 C ATOM 182 O ASP A 12 5.767 6.091 -12.661 1.00 0.00 O ATOM 183 CB ASP A 12 7.998 6.406 -14.990 1.00 0.00 C ATOM 184 CG ASP A 12 9.499 6.573 -15.213 1.00 0.00 C ATOM 185 OD1 ASP A 12 9.880 7.623 -15.766 1.00 0.00 O ATOM 186 OD2 ASP A 12 10.254 5.651 -14.825 1.00 0.00 O ATOM 0 H ASP A 12 8.419 6.182 -12.388 1.00 0.00 H new ATOM 0 HA ASP A 12 7.499 8.327 -14.219 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.786 5.363 -14.755 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.472 6.637 -15.916 1.00 0.00 H new ATOM 191 N SER A 13 5.025 7.548 -14.203 1.00 0.00 N ATOM 192 CA SER A 13 3.613 7.229 -14.050 1.00 0.00 C ATOM 193 C SER A 13 2.831 7.862 -15.195 1.00 0.00 C ATOM 194 O SER A 13 3.279 8.864 -15.753 1.00 0.00 O ATOM 195 CB SER A 13 3.091 7.727 -12.694 1.00 0.00 C ATOM 196 OG SER A 13 1.748 7.326 -12.482 1.00 0.00 O ATOM 0 H SER A 13 5.201 8.292 -14.878 1.00 0.00 H new ATOM 0 HA SER A 13 3.481 6.147 -14.080 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.720 7.337 -11.894 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.159 8.814 -12.652 1.00 0.00 H new ATOM 0 HG SER A 13 1.549 6.543 -13.037 1.00 0.00 H new ATOM 202 N LYS A 14 1.675 7.279 -15.532 1.00 0.00 N ATOM 203 CA LYS A 14 0.710 7.843 -16.465 1.00 0.00 C ATOM 204 C LYS A 14 -0.693 7.406 -16.043 1.00 0.00 C ATOM 205 O LYS A 14 -0.883 6.291 -15.548 1.00 0.00 O ATOM 206 CB LYS A 14 0.985 7.403 -17.918 1.00 0.00 C ATOM 207 CG LYS A 14 2.040 8.244 -18.650 1.00 0.00 C ATOM 208 CD LYS A 14 1.493 9.631 -19.037 1.00 0.00 C ATOM 209 CE LYS A 14 2.563 10.729 -18.969 1.00 0.00 C ATOM 210 NZ LYS A 14 3.731 10.441 -19.826 1.00 0.00 N ATOM 0 H LYS A 14 1.383 6.379 -15.150 1.00 0.00 H new ATOM 0 HA LYS A 14 0.797 8.929 -16.437 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.308 6.362 -17.914 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.052 7.445 -18.480 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.917 8.363 -18.013 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.367 7.718 -19.547 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.086 9.588 -20.047 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.669 9.891 -18.372 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.122 11.679 -19.270 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.894 10.844 -17.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.414 11.222 -19.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.181 9.557 -19.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.421 10.341 -20.814 1.00 0.00 H new ATOM 224 N ASN A 15 -1.661 8.301 -16.267 1.00 0.00 N ATOM 225 CA ASN A 15 -3.098 8.060 -16.181 1.00 0.00 C ATOM 226 C ASN A 15 -3.575 7.765 -14.755 1.00 0.00 C ATOM 227 O ASN A 15 -4.678 7.255 -14.556 1.00 0.00 O ATOM 228 CB ASN A 15 -3.526 6.970 -17.179 1.00 0.00 C ATOM 229 CG ASN A 15 -3.464 7.411 -18.637 1.00 0.00 C ATOM 230 OD1 ASN A 15 -2.558 8.133 -19.045 1.00 0.00 O ATOM 231 ND2 ASN A 15 -4.434 6.976 -19.437 1.00 0.00 N ATOM 0 H ASN A 15 -1.447 9.264 -16.527 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.596 8.988 -16.462 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.887 6.097 -17.046 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.544 6.658 -16.947 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.440 7.241 -20.422 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.172 6.377 -19.065 1.00 0.00 H new ATOM 238 N PHE A 16 -2.784 8.100 -13.734 1.00 0.00 N ATOM 239 CA PHE A 16 -3.210 7.914 -12.350 1.00 0.00 C ATOM 240 C PHE A 16 -4.490 8.726 -12.098 1.00 0.00 C ATOM 241 O PHE A 16 -5.426 8.275 -11.437 1.00 0.00 O ATOM 242 CB PHE A 16 -2.063 8.296 -11.399 1.00 0.00 C ATOM 243 CG PHE A 16 -2.064 7.513 -10.099 1.00 0.00 C ATOM 244 CD1 PHE A 16 -1.674 6.162 -10.117 1.00 0.00 C ATOM 245 CD2 PHE A 16 -2.497 8.093 -8.895 1.00 0.00 C ATOM 246 CE1 PHE A 16 -1.750 5.388 -8.947 1.00 0.00 C ATOM 247 CE2 PHE A 16 -2.462 7.347 -7.703 1.00 0.00 C ATOM 248 CZ PHE A 16 -2.126 5.986 -7.734 1.00 0.00 C ATOM 0 H PHE A 16 -1.851 8.499 -13.840 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.447 6.867 -12.158 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.112 8.137 -11.908 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.129 9.360 -11.172 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.315 5.718 -11.034 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.857 9.111 -8.885 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.519 4.333 -8.981 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.694 7.823 -6.762 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.156 5.400 -6.827 1.00 0.00 H new ATOM 258 N ASP A 17 -4.528 9.921 -12.685 1.00 0.00 N ATOM 259 CA ASP A 17 -5.639 10.858 -12.666 1.00 0.00 C ATOM 260 C ASP A 17 -6.887 10.249 -13.307 1.00 0.00 C ATOM 261 O ASP A 17 -7.986 10.406 -12.788 1.00 0.00 O ATOM 262 CB ASP A 17 -5.212 12.144 -13.387 1.00 0.00 C ATOM 263 CG ASP A 17 -3.830 12.566 -12.921 1.00 0.00 C ATOM 264 OD1 ASP A 17 -2.878 11.908 -13.401 1.00 0.00 O ATOM 265 OD2 ASP A 17 -3.757 13.403 -11.996 1.00 0.00 O ATOM 0 H ASP A 17 -3.734 10.278 -13.217 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.898 11.093 -11.634 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.208 11.982 -14.465 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.931 12.939 -13.187 1.00 0.00 H new ATOM 270 N ASP A 18 -6.722 9.536 -14.425 1.00 0.00 N ATOM 271 CA ASP A 18 -7.802 8.791 -15.069 1.00 0.00 C ATOM 272 C ASP A 18 -8.377 7.766 -14.084 1.00 0.00 C ATOM 273 O ASP A 18 -9.588 7.717 -13.860 1.00 0.00 O ATOM 274 CB ASP A 18 -7.299 8.177 -16.393 1.00 0.00 C ATOM 275 CG ASP A 18 -7.700 6.720 -16.604 1.00 0.00 C ATOM 276 OD1 ASP A 18 -8.915 6.453 -16.660 1.00 0.00 O ATOM 277 OD2 ASP A 18 -6.773 5.882 -16.685 1.00 0.00 O ATOM 0 H ASP A 18 -5.828 9.461 -14.910 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.624 9.454 -15.338 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.682 8.770 -17.223 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.212 8.250 -16.424 1.00 0.00 H new ATOM 282 N TYR A 19 -7.494 7.004 -13.427 1.00 0.00 N ATOM 283 CA TYR A 19 -7.910 6.083 -12.373 1.00 0.00 C ATOM 284 C TYR A 19 -8.767 6.829 -11.345 1.00 0.00 C ATOM 285 O TYR A 19 -9.916 6.466 -11.093 1.00 0.00 O ATOM 286 CB TYR A 19 -6.690 5.418 -11.710 1.00 0.00 C ATOM 287 CG TYR A 19 -6.857 3.948 -11.362 1.00 0.00 C ATOM 288 CD1 TYR A 19 -7.059 3.005 -12.386 1.00 0.00 C ATOM 289 CD2 TYR A 19 -6.571 3.494 -10.060 1.00 0.00 C ATOM 290 CE1 TYR A 19 -6.856 1.640 -12.140 1.00 0.00 C ATOM 291 CE2 TYR A 19 -6.460 2.118 -9.795 1.00 0.00 C ATOM 292 CZ TYR A 19 -6.572 1.192 -10.843 1.00 0.00 C ATOM 293 OH TYR A 19 -6.356 -0.132 -10.619 1.00 0.00 O ATOM 0 H TYR A 19 -6.490 7.010 -13.609 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.511 5.288 -12.814 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.834 5.521 -12.377 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.451 5.965 -10.798 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.372 3.334 -13.366 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.436 4.207 -9.260 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.919 0.931 -12.953 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.289 1.774 -8.786 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.171 -0.277 -9.668 1.00 0.00 H new ATOM 303 N MET A 20 -8.218 7.905 -10.773 1.00 0.00 N ATOM 304 CA MET A 20 -8.943 8.753 -9.842 1.00 0.00 C ATOM 305 C MET A 20 -10.319 9.141 -10.393 1.00 0.00 C ATOM 306 O MET A 20 -11.311 9.016 -9.671 1.00 0.00 O ATOM 307 CB MET A 20 -8.092 9.983 -9.486 1.00 0.00 C ATOM 308 CG MET A 20 -8.899 11.143 -8.887 1.00 0.00 C ATOM 309 SD MET A 20 -9.844 10.753 -7.392 1.00 0.00 S ATOM 310 CE MET A 20 -11.401 11.615 -7.750 1.00 0.00 C ATOM 0 H MET A 20 -7.259 8.206 -10.947 1.00 0.00 H new ATOM 0 HA MET A 20 -9.127 8.193 -8.925 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.320 9.686 -8.777 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.583 10.333 -10.384 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.213 11.959 -8.658 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.590 11.511 -9.646 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.922 11.828 -6.816 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.188 12.550 -8.269 1.00 0.00 H new ATOM 0 HE3 MET A 20 -12.029 10.985 -8.380 1.00 0.00 H new ATOM 320 N LYS A 21 -10.379 9.642 -11.629 1.00 0.00 N ATOM 321 CA LYS A 21 -11.570 10.179 -12.283 1.00 0.00 C ATOM 322 C LYS A 21 -12.470 9.030 -12.765 1.00 0.00 C ATOM 323 O LYS A 21 -12.880 8.967 -13.921 1.00 0.00 O ATOM 324 CB LYS A 21 -11.112 11.122 -13.415 1.00 0.00 C ATOM 325 CG LYS A 21 -12.085 12.254 -13.786 1.00 0.00 C ATOM 326 CD LYS A 21 -13.347 11.765 -14.515 1.00 0.00 C ATOM 327 CE LYS A 21 -14.181 12.909 -15.111 1.00 0.00 C ATOM 328 NZ LYS A 21 -13.506 13.571 -16.248 1.00 0.00 N ATOM 0 H LYS A 21 -9.555 9.685 -12.229 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.178 10.761 -11.590 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.160 11.568 -13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.926 10.523 -14.307 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.381 12.780 -12.878 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.567 12.975 -14.418 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.056 11.082 -15.313 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.965 11.198 -13.819 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.143 12.518 -15.442 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.386 13.647 -14.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.172 14.216 -16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.689 14.112 -15.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.182 12.852 -16.926 1.00 0.00 H new ATOM 342 N SER A 22 -12.804 8.133 -11.841 1.00 0.00 N ATOM 343 CA SER A 22 -13.688 6.992 -12.002 1.00 0.00 C ATOM 344 C SER A 22 -13.779 6.314 -10.635 1.00 0.00 C ATOM 345 O SER A 22 -14.863 6.075 -10.112 1.00 0.00 O ATOM 346 CB SER A 22 -13.177 6.031 -13.087 1.00 0.00 C ATOM 347 OG SER A 22 -11.862 5.582 -12.818 1.00 0.00 O ATOM 0 H SER A 22 -12.434 8.193 -10.892 1.00 0.00 H new ATOM 0 HA SER A 22 -14.676 7.309 -12.337 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.846 5.173 -13.157 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.199 6.532 -14.055 1.00 0.00 H new ATOM 0 HG SER A 22 -11.407 6.230 -12.241 1.00 0.00 H new ATOM 353 N LEU A 23 -12.616 6.055 -10.030 1.00 0.00 N ATOM 354 CA LEU A 23 -12.510 5.453 -8.708 1.00 0.00 C ATOM 355 C LEU A 23 -13.088 6.367 -7.620 1.00 0.00 C ATOM 356 O LEU A 23 -13.627 5.890 -6.617 1.00 0.00 O ATOM 357 CB LEU A 23 -11.036 5.093 -8.462 1.00 0.00 C ATOM 358 CG LEU A 23 -10.803 3.807 -7.663 1.00 0.00 C ATOM 359 CD1 LEU A 23 -11.395 2.602 -8.407 1.00 0.00 C ATOM 360 CD2 LEU A 23 -9.289 3.610 -7.526 1.00 0.00 C ATOM 0 H LEU A 23 -11.712 6.262 -10.455 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.108 4.543 -8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.536 4.998 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.560 5.920 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.282 3.886 -6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.222 1.695 -7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.467 2.748 -8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.917 2.506 -9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.090 2.700 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.842 3.526 -8.517 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.857 4.464 -7.004 1.00 0.00 H new ATOM 372 N GLY A 24 -12.977 7.688 -7.802 1.00 0.00 N ATOM 373 CA GLY A 24 -13.589 8.680 -6.924 1.00 0.00 C ATOM 374 C GLY A 24 -12.847 8.805 -5.594 1.00 0.00 C ATOM 375 O GLY A 24 -13.420 9.202 -4.581 1.00 0.00 O ATOM 0 H GLY A 24 -12.452 8.099 -8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.601 9.648 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.627 8.406 -6.735 1.00 0.00 H new ATOM 379 N VAL A 25 -11.568 8.437 -5.571 1.00 0.00 N ATOM 380 CA VAL A 25 -10.768 8.368 -4.353 1.00 0.00 C ATOM 381 C VAL A 25 -10.161 9.740 -4.033 1.00 0.00 C ATOM 382 O VAL A 25 -8.952 9.876 -3.884 1.00 0.00 O ATOM 383 CB VAL A 25 -9.742 7.227 -4.484 1.00 0.00 C ATOM 384 CG1 VAL A 25 -10.459 5.893 -4.669 1.00 0.00 C ATOM 385 CG2 VAL A 25 -8.784 7.384 -5.659 1.00 0.00 C ATOM 0 H VAL A 25 -11.052 8.175 -6.411 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.390 8.125 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.162 7.262 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.723 5.094 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.098 5.701 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.069 5.930 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.094 6.540 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.351 7.414 -6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.221 8.310 -5.548 1.00 0.00 H new ATOM 395 N GLY A 26 -11.016 10.767 -3.970 1.00 0.00 N ATOM 396 CA GLY A 26 -10.626 12.126 -3.598 1.00 0.00 C ATOM 397 C GLY A 26 -9.815 12.820 -4.700 1.00 0.00 C ATOM 398 O GLY A 26 -8.685 12.436 -4.998 1.00 0.00 O ATOM 0 H GLY A 26 -12.010 10.673 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.519 12.712 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.037 12.095 -2.681 1.00 0.00 H new ATOM 402 N PHE A 27 -10.401 13.815 -5.377 1.00 0.00 N ATOM 403 CA PHE A 27 -9.749 14.432 -6.529 1.00 0.00 C ATOM 404 C PHE A 27 -8.453 15.132 -6.117 1.00 0.00 C ATOM 405 O PHE A 27 -7.375 14.687 -6.503 1.00 0.00 O ATOM 406 CB PHE A 27 -10.721 15.343 -7.297 1.00 0.00 C ATOM 407 CG PHE A 27 -10.310 15.778 -8.701 1.00 0.00 C ATOM 408 CD1 PHE A 27 -9.400 15.038 -9.488 1.00 0.00 C ATOM 409 CD2 PHE A 27 -10.954 16.894 -9.270 1.00 0.00 C ATOM 410 CE1 PHE A 27 -9.139 15.413 -10.817 1.00 0.00 C ATOM 411 CE2 PHE A 27 -10.679 17.277 -10.594 1.00 0.00 C ATOM 412 CZ PHE A 27 -9.774 16.537 -11.369 1.00 0.00 C ATOM 0 H PHE A 27 -11.316 14.204 -5.147 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.460 13.647 -7.228 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.679 14.829 -7.370 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -10.885 16.240 -6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.901 14.178 -9.066 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -11.664 17.459 -8.685 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.449 14.836 -11.415 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.166 18.144 -11.016 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.566 16.831 -12.387 1.00 0.00 H new ATOM 422 N ALA A 28 -8.551 16.183 -5.297 1.00 0.00 N ATOM 423 CA ALA A 28 -7.390 16.894 -4.770 1.00 0.00 C ATOM 424 C ALA A 28 -6.414 15.919 -4.101 1.00 0.00 C ATOM 425 O ALA A 28 -5.202 16.005 -4.289 1.00 0.00 O ATOM 426 CB ALA A 28 -7.852 17.972 -3.786 1.00 0.00 C ATOM 0 H ALA A 28 -9.443 16.563 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.862 17.374 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.984 18.502 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.506 18.677 -4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.395 17.506 -2.964 1.00 0.00 H new ATOM 432 N THR A 29 -6.963 14.971 -3.337 1.00 0.00 N ATOM 433 CA THR A 29 -6.230 13.929 -2.639 1.00 0.00 C ATOM 434 C THR A 29 -5.280 13.196 -3.590 1.00 0.00 C ATOM 435 O THR A 29 -4.087 13.056 -3.311 1.00 0.00 O ATOM 436 CB THR A 29 -7.262 12.979 -2.008 1.00 0.00 C ATOM 437 OG1 THR A 29 -8.378 13.747 -1.566 1.00 0.00 O ATOM 438 CG2 THR A 29 -6.691 12.092 -0.891 1.00 0.00 C ATOM 0 H THR A 29 -7.970 14.912 -3.186 1.00 0.00 H new ATOM 0 HA THR A 29 -5.603 14.358 -1.857 1.00 0.00 H new ATOM 0 HB THR A 29 -7.579 12.271 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.969 13.183 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.479 11.451 -0.497 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.887 11.474 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.301 12.721 -0.091 1.00 0.00 H new ATOM 446 N ARG A 30 -5.802 12.724 -4.725 1.00 0.00 N ATOM 447 CA ARG A 30 -4.968 12.069 -5.717 1.00 0.00 C ATOM 448 C ARG A 30 -4.086 13.071 -6.454 1.00 0.00 C ATOM 449 O ARG A 30 -2.921 12.760 -6.652 1.00 0.00 O ATOM 450 CB ARG A 30 -5.806 11.218 -6.671 1.00 0.00 C ATOM 451 CG ARG A 30 -6.228 9.900 -6.006 1.00 0.00 C ATOM 452 CD ARG A 30 -5.124 8.827 -6.049 1.00 0.00 C ATOM 453 NE ARG A 30 -5.374 7.714 -5.104 1.00 0.00 N ATOM 454 CZ ARG A 30 -5.645 6.422 -5.375 1.00 0.00 C ATOM 455 NH1 ARG A 30 -5.740 5.977 -6.633 1.00 0.00 N ATOM 456 NH2 ARG A 30 -5.835 5.551 -4.383 1.00 0.00 N ATOM 0 H ARG A 30 -6.790 12.786 -4.972 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.297 11.388 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.692 11.774 -6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.233 11.007 -7.574 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.500 10.093 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.119 9.517 -6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.048 8.429 -7.061 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.165 9.289 -5.815 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.336 7.959 -4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.606 6.620 -7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.946 4.994 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.776 5.862 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.040 4.574 -4.594 1.00 0.00 H new ATOM 470 N GLN A 31 -4.595 14.247 -6.843 1.00 0.00 N ATOM 471 CA GLN A 31 -3.776 15.262 -7.509 1.00 0.00 C ATOM 472 C GLN A 31 -2.480 15.495 -6.726 1.00 0.00 C ATOM 473 O GLN A 31 -1.381 15.351 -7.258 1.00 0.00 O ATOM 474 CB GLN A 31 -4.530 16.592 -7.633 1.00 0.00 C ATOM 475 CG GLN A 31 -5.690 16.588 -8.636 1.00 0.00 C ATOM 476 CD GLN A 31 -6.512 17.870 -8.504 1.00 0.00 C ATOM 477 OE1 GLN A 31 -6.022 18.886 -8.021 1.00 0.00 O ATOM 478 NE2 GLN A 31 -7.780 17.847 -8.899 1.00 0.00 N ATOM 0 H GLN A 31 -5.569 14.517 -6.707 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.545 14.894 -8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.919 16.865 -6.652 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.822 17.368 -7.923 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.302 16.500 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.327 15.721 -8.462 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.174 16.995 -9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.359 18.681 -8.803 1.00 0.00 H new ATOM 487 N VAL A 32 -2.594 15.857 -5.444 1.00 0.00 N ATOM 488 CA VAL A 32 -1.401 16.071 -4.643 1.00 0.00 C ATOM 489 C VAL A 32 -0.659 14.737 -4.499 1.00 0.00 C ATOM 490 O VAL A 32 0.513 14.630 -4.869 1.00 0.00 O ATOM 491 CB VAL A 32 -1.730 16.811 -3.330 1.00 0.00 C ATOM 492 CG1 VAL A 32 -2.335 15.931 -2.231 1.00 0.00 C ATOM 493 CG2 VAL A 32 -0.478 17.515 -2.790 1.00 0.00 C ATOM 0 H VAL A 32 -3.478 16.003 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.707 16.749 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.501 17.534 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.533 16.537 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.268 15.494 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.635 15.135 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.723 18.034 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.300 16.776 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.120 18.236 -3.525 1.00 0.00 H new ATOM 503 N GLY A 33 -1.361 13.682 -4.064 1.00 0.00 N ATOM 504 CA GLY A 33 -0.794 12.355 -3.870 1.00 0.00 C ATOM 505 C GLY A 33 -0.640 11.559 -5.172 1.00 0.00 C ATOM 506 O GLY A 33 -0.910 10.351 -5.186 1.00 0.00 O ATOM 0 H GLY A 33 -2.354 13.735 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.182 12.452 -3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.428 11.794 -3.184 1.00 0.00 H new ATOM 510 N ASN A 34 -0.173 12.224 -6.233 1.00 0.00 N ATOM 511 CA ASN A 34 0.181 11.658 -7.531 1.00 0.00 C ATOM 512 C ASN A 34 1.157 12.586 -8.255 1.00 0.00 C ATOM 513 O ASN A 34 2.083 12.101 -8.898 1.00 0.00 O ATOM 514 CB ASN A 34 -1.036 11.227 -8.386 1.00 0.00 C ATOM 515 CG ASN A 34 -1.732 12.295 -9.247 1.00 0.00 C ATOM 516 OD1 ASN A 34 -1.339 13.450 -9.311 1.00 0.00 O ATOM 517 ND2 ASN A 34 -2.780 11.907 -9.964 1.00 0.00 N ATOM 0 H ASN A 34 -0.024 13.233 -6.203 1.00 0.00 H new ATOM 0 HA ASN A 34 0.695 10.714 -7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.711 10.425 -9.048 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.782 10.803 -7.714 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.259 12.574 -10.570 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.106 10.942 -9.909 1.00 0.00 H new ATOM 524 N MET A 35 0.977 13.905 -8.118 1.00 0.00 N ATOM 525 CA MET A 35 1.881 14.886 -8.686 1.00 0.00 C ATOM 526 C MET A 35 3.149 14.978 -7.839 1.00 0.00 C ATOM 527 O MET A 35 4.229 15.198 -8.382 1.00 0.00 O ATOM 528 CB MET A 35 1.155 16.229 -8.823 1.00 0.00 C ATOM 529 CG MET A 35 1.927 17.208 -9.711 1.00 0.00 C ATOM 530 SD MET A 35 1.002 18.716 -10.104 1.00 0.00 S ATOM 531 CE MET A 35 2.191 19.519 -11.210 1.00 0.00 C ATOM 0 H MET A 35 0.195 14.313 -7.607 1.00 0.00 H new ATOM 0 HA MET A 35 2.193 14.583 -9.686 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.163 16.064 -9.242 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.015 16.668 -7.835 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.857 17.482 -9.213 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.199 16.706 -10.640 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.784 20.471 -11.552 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.124 19.695 -10.675 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.381 18.876 -12.069 1.00 0.00 H new ATOM 541 N THR A 36 3.035 14.803 -6.516 1.00 0.00 N ATOM 542 CA THR A 36 4.227 14.583 -5.704 1.00 0.00 C ATOM 543 C THR A 36 4.861 13.239 -6.078 1.00 0.00 C ATOM 544 O THR A 36 4.233 12.415 -6.741 1.00 0.00 O ATOM 545 CB THR A 36 3.905 14.692 -4.205 1.00 0.00 C ATOM 546 OG1 THR A 36 5.109 14.840 -3.485 1.00 0.00 O ATOM 547 CG2 THR A 36 3.191 13.463 -3.638 1.00 0.00 C ATOM 0 H THR A 36 2.154 14.810 -6.002 1.00 0.00 H new ATOM 0 HA THR A 36 4.958 15.365 -5.912 1.00 0.00 H new ATOM 0 HB THR A 36 3.240 15.549 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.911 14.912 -2.528 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.997 13.613 -2.576 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.247 13.317 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.820 12.583 -3.771 1.00 0.00 H new ATOM 555 N LYS A 37 6.098 13.004 -5.634 1.00 0.00 N ATOM 556 CA LYS A 37 6.857 11.799 -5.951 1.00 0.00 C ATOM 557 C LYS A 37 7.037 10.964 -4.674 1.00 0.00 C ATOM 558 O LYS A 37 8.082 11.058 -4.029 1.00 0.00 O ATOM 559 CB LYS A 37 8.181 12.216 -6.615 1.00 0.00 C ATOM 560 CG LYS A 37 8.912 11.009 -7.215 1.00 0.00 C ATOM 561 CD LYS A 37 9.959 11.398 -8.268 1.00 0.00 C ATOM 562 CE LYS A 37 11.116 12.225 -7.694 1.00 0.00 C ATOM 563 NZ LYS A 37 12.158 12.476 -8.713 1.00 0.00 N ATOM 0 H LYS A 37 6.605 13.657 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 37 6.330 11.162 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.982 12.948 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.821 12.702 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.400 10.454 -6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.182 10.339 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.360 10.493 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.473 11.966 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.735 13.175 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.554 11.700 -6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.926 13.038 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.538 11.569 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.744 12.998 -9.511 1.00 0.00 H new ATOM 577 N PRO A 38 6.023 10.181 -4.266 1.00 0.00 N ATOM 578 CA PRO A 38 5.992 9.553 -2.957 1.00 0.00 C ATOM 579 C PRO A 38 6.966 8.382 -2.852 1.00 0.00 C ATOM 580 O PRO A 38 7.357 7.774 -3.854 1.00 0.00 O ATOM 581 CB PRO A 38 4.547 9.080 -2.772 1.00 0.00 C ATOM 582 CG PRO A 38 4.106 8.779 -4.202 1.00 0.00 C ATOM 583 CD PRO A 38 4.779 9.912 -4.974 1.00 0.00 C ATOM 0 HA PRO A 38 6.301 10.254 -2.182 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.488 8.197 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.926 9.847 -2.310 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.443 7.798 -4.537 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.021 8.797 -4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.970 9.623 -6.007 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.145 10.798 -5.003 1.00 0.00 H new ATOM 591 N THR A 39 7.316 8.051 -1.608 1.00 0.00 N ATOM 592 CA THR A 39 7.983 6.820 -1.251 1.00 0.00 C ATOM 593 C THR A 39 6.973 5.672 -1.272 1.00 0.00 C ATOM 594 O THR A 39 5.759 5.870 -1.274 1.00 0.00 O ATOM 595 CB THR A 39 8.627 6.989 0.138 1.00 0.00 C ATOM 596 OG1 THR A 39 7.896 7.923 0.906 1.00 0.00 O ATOM 597 CG2 THR A 39 10.053 7.527 0.020 1.00 0.00 C ATOM 0 H THR A 39 7.134 8.655 -0.807 1.00 0.00 H new ATOM 0 HA THR A 39 8.770 6.584 -1.967 1.00 0.00 H new ATOM 0 HB THR A 39 8.630 6.007 0.611 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.938 7.731 0.830 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.484 7.637 1.015 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.657 6.831 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.036 8.497 -0.477 1.00 0.00 H new ATOM 605 N THR A 40 7.474 4.442 -1.280 1.00 0.00 N ATOM 606 CA THR A 40 6.743 3.287 -0.796 1.00 0.00 C ATOM 607 C THR A 40 7.796 2.376 -0.168 1.00 0.00 C ATOM 608 O THR A 40 8.780 2.028 -0.820 1.00 0.00 O ATOM 609 CB THR A 40 5.928 2.623 -1.920 1.00 0.00 C ATOM 610 OG1 THR A 40 4.920 3.511 -2.393 1.00 0.00 O ATOM 611 CG2 THR A 40 5.239 1.346 -1.424 1.00 0.00 C ATOM 0 H THR A 40 8.408 4.221 -1.627 1.00 0.00 H new ATOM 0 HA THR A 40 5.989 3.550 -0.054 1.00 0.00 H new ATOM 0 HB THR A 40 6.625 2.376 -2.721 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.070 4.405 -2.020 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.671 0.899 -2.240 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.991 0.639 -1.075 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.564 1.592 -0.604 1.00 0.00 H new ATOM 619 N ILE A 41 7.627 2.060 1.114 1.00 0.00 N ATOM 620 CA ILE A 41 8.498 1.159 1.852 1.00 0.00 C ATOM 621 C ILE A 41 7.907 -0.237 1.703 1.00 0.00 C ATOM 622 O ILE A 41 6.690 -0.383 1.773 1.00 0.00 O ATOM 623 CB ILE A 41 8.593 1.643 3.310 1.00 0.00 C ATOM 624 CG1 ILE A 41 9.478 2.902 3.353 1.00 0.00 C ATOM 625 CG2 ILE A 41 9.162 0.560 4.235 1.00 0.00 C ATOM 626 CD1 ILE A 41 9.248 3.741 4.612 1.00 0.00 C ATOM 0 H ILE A 41 6.863 2.433 1.677 1.00 0.00 H new ATOM 0 HA ILE A 41 9.520 1.140 1.474 1.00 0.00 H new ATOM 0 HB ILE A 41 7.590 1.873 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.526 2.607 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.278 3.513 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.212 0.942 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.516 -0.318 4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.162 0.285 3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.898 4.616 4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.207 4.063 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.475 3.143 5.494 1.00 0.00 H new ATOM 638 N ILE A 42 8.737 -1.245 1.433 1.00 0.00 N ATOM 639 CA ILE A 42 8.300 -2.618 1.242 1.00 0.00 C ATOM 640 C ILE A 42 9.227 -3.515 2.061 1.00 0.00 C ATOM 641 O ILE A 42 10.374 -3.743 1.674 1.00 0.00 O ATOM 642 CB ILE A 42 8.298 -2.964 -0.257 1.00 0.00 C ATOM 643 CG1 ILE A 42 7.362 -2.010 -1.023 1.00 0.00 C ATOM 644 CG2 ILE A 42 7.899 -4.432 -0.465 1.00 0.00 C ATOM 645 CD1 ILE A 42 7.150 -2.372 -2.496 1.00 0.00 C ATOM 0 H ILE A 42 9.745 -1.123 1.341 1.00 0.00 H new ATOM 0 HA ILE A 42 7.277 -2.768 1.588 1.00 0.00 H new ATOM 0 HB ILE A 42 9.305 -2.834 -0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.393 -1.993 -0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.768 -1.000 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.902 -4.662 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.611 -5.079 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.901 -4.598 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.478 -1.647 -2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.108 -2.359 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.713 -3.368 -2.567 1.00 0.00 H new ATOM 657 N GLU A 43 8.733 -4.006 3.198 1.00 0.00 N ATOM 658 CA GLU A 43 9.490 -4.828 4.129 1.00 0.00 C ATOM 659 C GLU A 43 8.935 -6.250 4.065 1.00 0.00 C ATOM 660 O GLU A 43 7.816 -6.503 4.514 1.00 0.00 O ATOM 661 CB GLU A 43 9.365 -4.240 5.540 1.00 0.00 C ATOM 662 CG GLU A 43 9.940 -2.822 5.642 1.00 0.00 C ATOM 663 CD GLU A 43 9.485 -2.150 6.932 1.00 0.00 C ATOM 664 OE1 GLU A 43 8.355 -1.613 6.924 1.00 0.00 O ATOM 665 OE2 GLU A 43 10.265 -2.209 7.905 1.00 0.00 O ATOM 0 H GLU A 43 7.773 -3.837 3.500 1.00 0.00 H new ATOM 0 HA GLU A 43 10.548 -4.848 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.315 -4.224 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.882 -4.889 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.029 -2.862 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.618 -2.231 4.785 1.00 0.00 H new ATOM 672 N VAL A 44 9.701 -7.182 3.494 1.00 0.00 N ATOM 673 CA VAL A 44 9.335 -8.591 3.483 1.00 0.00 C ATOM 674 C VAL A 44 9.600 -9.159 4.880 1.00 0.00 C ATOM 675 O VAL A 44 10.698 -9.627 5.176 1.00 0.00 O ATOM 676 CB VAL A 44 10.062 -9.345 2.357 1.00 0.00 C ATOM 677 CG1 VAL A 44 9.654 -10.827 2.349 1.00 0.00 C ATOM 678 CG2 VAL A 44 9.706 -8.741 0.989 1.00 0.00 C ATOM 0 H VAL A 44 10.586 -6.978 3.030 1.00 0.00 H new ATOM 0 HA VAL A 44 8.275 -8.717 3.261 1.00 0.00 H new ATOM 0 HB VAL A 44 11.133 -9.256 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.178 -11.344 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.915 -11.281 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.579 -10.907 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.229 -9.286 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.631 -8.814 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.006 -7.693 0.965 1.00 0.00 H new ATOM 688 N ASN A 45 8.593 -9.061 5.751 1.00 0.00 N ATOM 689 CA ASN A 45 8.570 -9.700 7.062 1.00 0.00 C ATOM 690 C ASN A 45 8.913 -11.190 6.949 1.00 0.00 C ATOM 691 O ASN A 45 8.729 -11.791 5.894 1.00 0.00 O ATOM 692 CB ASN A 45 7.173 -9.562 7.680 1.00 0.00 C ATOM 693 CG ASN A 45 6.708 -8.121 7.824 1.00 0.00 C ATOM 694 OD1 ASN A 45 5.894 -7.654 7.035 1.00 0.00 O ATOM 695 ND2 ASN A 45 7.206 -7.405 8.827 1.00 0.00 N ATOM 0 H ASN A 45 7.751 -8.520 5.556 1.00 0.00 H new ATOM 0 HA ASN A 45 9.312 -9.209 7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.457 -10.106 7.063 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.171 -10.035 8.662 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.912 -6.437 8.958 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.882 -7.824 9.466 1.00 0.00 H new ATOM 702 N GLY A 46 9.375 -11.787 8.054 1.00 0.00 N ATOM 703 CA GLY A 46 9.851 -13.166 8.156 1.00 0.00 C ATOM 704 C GLY A 46 9.264 -14.136 7.126 1.00 0.00 C ATOM 705 O GLY A 46 10.011 -14.739 6.358 1.00 0.00 O ATOM 0 H GLY A 46 9.428 -11.294 8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.936 -13.167 8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.623 -13.539 9.154 1.00 0.00 H new ATOM 709 N ASP A 47 7.937 -14.294 7.124 1.00 0.00 N ATOM 710 CA ASP A 47 7.207 -15.173 6.219 1.00 0.00 C ATOM 711 C ASP A 47 6.136 -14.405 5.429 1.00 0.00 C ATOM 712 O ASP A 47 5.236 -15.029 4.863 1.00 0.00 O ATOM 713 CB ASP A 47 6.543 -16.264 7.075 1.00 0.00 C ATOM 714 CG ASP A 47 5.298 -15.728 7.770 1.00 0.00 C ATOM 715 OD1 ASP A 47 5.388 -14.610 8.320 1.00 0.00 O ATOM 716 OD2 ASP A 47 4.253 -16.409 7.641 1.00 0.00 O ATOM 0 H ASP A 47 7.327 -13.797 7.773 1.00 0.00 H new ATOM 0 HA ASP A 47 7.895 -15.604 5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.276 -17.113 6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.251 -16.629 7.819 1.00 0.00 H new ATOM 721 N THR A 48 6.185 -13.074 5.438 1.00 0.00 N ATOM 722 CA THR A 48 5.061 -12.181 5.170 1.00 0.00 C ATOM 723 C THR A 48 5.605 -10.909 4.507 1.00 0.00 C ATOM 724 O THR A 48 6.780 -10.856 4.158 1.00 0.00 O ATOM 725 CB THR A 48 4.329 -11.891 6.502 1.00 0.00 C ATOM 726 OG1 THR A 48 5.185 -12.058 7.617 1.00 0.00 O ATOM 727 CG2 THR A 48 3.139 -12.826 6.715 1.00 0.00 C ATOM 0 H THR A 48 7.047 -12.568 5.641 1.00 0.00 H new ATOM 0 HA THR A 48 4.338 -12.631 4.490 1.00 0.00 H new ATOM 0 HB THR A 48 3.992 -10.857 6.427 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.010 -12.926 8.037 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.654 -12.588 7.662 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.426 -12.699 5.900 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.487 -13.859 6.735 1.00 0.00 H new ATOM 735 N VAL A 49 4.787 -9.874 4.309 1.00 0.00 N ATOM 736 CA VAL A 49 5.271 -8.610 3.778 1.00 0.00 C ATOM 737 C VAL A 49 4.380 -7.469 4.256 1.00 0.00 C ATOM 738 O VAL A 49 3.184 -7.667 4.469 1.00 0.00 O ATOM 739 CB VAL A 49 5.397 -8.696 2.245 1.00 0.00 C ATOM 740 CG1 VAL A 49 4.063 -9.072 1.594 1.00 0.00 C ATOM 741 CG2 VAL A 49 5.919 -7.396 1.615 1.00 0.00 C ATOM 0 H VAL A 49 3.787 -9.892 4.510 1.00 0.00 H new ATOM 0 HA VAL A 49 6.271 -8.398 4.157 1.00 0.00 H new ATOM 0 HB VAL A 49 6.129 -9.480 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.188 -9.124 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.736 -10.042 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.314 -8.318 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.987 -7.517 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.235 -6.579 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.906 -7.168 2.017 1.00 0.00 H new ATOM 751 N ILE A 50 4.963 -6.279 4.414 1.00 0.00 N ATOM 752 CA ILE A 50 4.227 -5.052 4.655 1.00 0.00 C ATOM 753 C ILE A 50 4.682 -3.994 3.653 1.00 0.00 C ATOM 754 O ILE A 50 5.882 -3.776 3.478 1.00 0.00 O ATOM 755 CB ILE A 50 4.328 -4.623 6.132 1.00 0.00 C ATOM 756 CG1 ILE A 50 3.431 -3.406 6.410 1.00 0.00 C ATOM 757 CG2 ILE A 50 5.769 -4.344 6.570 1.00 0.00 C ATOM 758 CD1 ILE A 50 3.361 -3.088 7.907 1.00 0.00 C ATOM 0 H ILE A 50 5.974 -6.147 4.376 1.00 0.00 H new ATOM 0 HA ILE A 50 3.161 -5.206 4.489 1.00 0.00 H new ATOM 0 HB ILE A 50 3.975 -5.465 6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.815 -2.540 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.427 -3.599 6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.779 -4.046 7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.369 -5.245 6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.186 -3.542 5.961 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.718 -2.222 8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.953 -3.945 8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.362 -2.870 8.280 1.00 0.00 H new ATOM 770 N ILE A 51 3.710 -3.375 2.976 1.00 0.00 N ATOM 771 CA ILE A 51 3.906 -2.249 2.078 1.00 0.00 C ATOM 772 C ILE A 51 3.382 -1.011 2.810 1.00 0.00 C ATOM 773 O ILE A 51 2.239 -1.012 3.260 1.00 0.00 O ATOM 774 CB ILE A 51 3.179 -2.507 0.740 1.00 0.00 C ATOM 775 CG1 ILE A 51 3.766 -3.753 0.051 1.00 0.00 C ATOM 776 CG2 ILE A 51 3.260 -1.277 -0.178 1.00 0.00 C ATOM 777 CD1 ILE A 51 3.129 -4.065 -1.308 1.00 0.00 C ATOM 0 H ILE A 51 2.733 -3.660 3.046 1.00 0.00 H new ATOM 0 HA ILE A 51 4.956 -2.102 1.824 1.00 0.00 H new ATOM 0 HB ILE A 51 2.125 -2.691 0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.838 -3.611 -0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.639 -4.614 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.740 -1.486 -1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.793 -0.424 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.305 -1.047 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.594 -4.955 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.061 -4.240 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.279 -3.222 -1.982 1.00 0.00 H new ATOM 789 N LYS A 52 4.210 0.026 2.953 1.00 0.00 N ATOM 790 CA LYS A 52 3.870 1.303 3.563 1.00 0.00 C ATOM 791 C LYS A 52 3.951 2.399 2.500 1.00 0.00 C ATOM 792 O LYS A 52 5.045 2.802 2.098 1.00 0.00 O ATOM 793 CB LYS A 52 4.803 1.581 4.755 1.00 0.00 C ATOM 794 CG LYS A 52 4.064 1.361 6.078 1.00 0.00 C ATOM 795 CD LYS A 52 4.935 1.799 7.264 1.00 0.00 C ATOM 796 CE LYS A 52 4.209 1.624 8.605 1.00 0.00 C ATOM 797 NZ LYS A 52 4.019 0.205 8.960 1.00 0.00 N ATOM 0 H LYS A 52 5.177 -0.008 2.631 1.00 0.00 H new ATOM 0 HA LYS A 52 2.852 1.280 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.673 0.926 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.172 2.605 4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.131 1.925 6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.800 0.309 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.856 1.217 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.219 2.844 7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.779 2.119 9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.238 2.117 8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.013 0.027 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.331 -0.395 8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.579 -0.019 9.807 1.00 0.00 H new ATOM 811 N THR A 53 2.799 2.890 2.042 1.00 0.00 N ATOM 812 CA THR A 53 2.702 3.889 0.989 1.00 0.00 C ATOM 813 C THR A 53 2.881 5.288 1.585 1.00 0.00 C ATOM 814 O THR A 53 1.972 6.116 1.552 1.00 0.00 O ATOM 815 CB THR A 53 1.357 3.699 0.267 1.00 0.00 C ATOM 816 OG1 THR A 53 0.339 3.361 1.190 1.00 0.00 O ATOM 817 CG2 THR A 53 1.446 2.543 -0.731 1.00 0.00 C ATOM 0 H THR A 53 1.892 2.595 2.403 1.00 0.00 H new ATOM 0 HA THR A 53 3.495 3.770 0.250 1.00 0.00 H new ATOM 0 HB THR A 53 1.127 4.637 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.509 3.246 0.713 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.486 2.421 -1.234 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.218 2.759 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.697 1.624 -0.202 1.00 0.00 H new ATOM 825 N GLN A 54 4.064 5.547 2.150 1.00 0.00 N ATOM 826 CA GLN A 54 4.344 6.811 2.814 1.00 0.00 C ATOM 827 C GLN A 54 4.481 7.981 1.837 1.00 0.00 C ATOM 828 O GLN A 54 5.005 7.853 0.734 1.00 0.00 O ATOM 829 CB GLN A 54 5.558 6.696 3.746 1.00 0.00 C ATOM 830 CG GLN A 54 5.198 5.846 4.975 1.00 0.00 C ATOM 831 CD GLN A 54 6.305 5.783 6.024 1.00 0.00 C ATOM 832 OE1 GLN A 54 6.647 4.709 6.504 1.00 0.00 O ATOM 833 NE2 GLN A 54 6.863 6.924 6.416 1.00 0.00 N ATOM 0 H GLN A 54 4.844 4.890 2.157 1.00 0.00 H new ATOM 0 HA GLN A 54 3.474 7.038 3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.394 6.244 3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.880 7.688 4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.297 6.252 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.961 4.833 4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.563 7.807 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.591 6.917 7.130 1.00 0.00 H new ATOM 842 N SER A 55 4.017 9.150 2.275 1.00 0.00 N ATOM 843 CA SER A 55 4.237 10.433 1.641 1.00 0.00 C ATOM 844 C SER A 55 4.016 11.490 2.721 1.00 0.00 C ATOM 845 O SER A 55 3.470 11.177 3.779 1.00 0.00 O ATOM 846 CB SER A 55 3.251 10.597 0.482 1.00 0.00 C ATOM 847 OG SER A 55 3.552 11.758 -0.270 1.00 0.00 O ATOM 0 H SER A 55 3.452 9.223 3.121 1.00 0.00 H new ATOM 0 HA SER A 55 5.241 10.526 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.291 9.719 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.234 10.662 0.869 1.00 0.00 H new ATOM 0 HG SER A 55 2.912 11.845 -1.007 1.00 0.00 H new ATOM 853 N THR A 56 4.388 12.744 2.468 1.00 0.00 N ATOM 854 CA THR A 56 4.104 13.836 3.394 1.00 0.00 C ATOM 855 C THR A 56 2.651 14.288 3.182 1.00 0.00 C ATOM 856 O THR A 56 2.373 15.436 2.849 1.00 0.00 O ATOM 857 CB THR A 56 5.187 14.928 3.268 1.00 0.00 C ATOM 858 OG1 THR A 56 5.016 15.894 4.289 1.00 0.00 O ATOM 859 CG2 THR A 56 5.274 15.595 1.885 1.00 0.00 C ATOM 0 H THR A 56 4.889 13.028 1.626 1.00 0.00 H new ATOM 0 HA THR A 56 4.164 13.526 4.437 1.00 0.00 H new ATOM 0 HB THR A 56 6.143 14.418 3.388 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.707 16.584 4.205 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.062 16.348 1.893 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.500 14.841 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.321 16.070 1.649 1.00 0.00 H new ATOM 867 N PHE A 57 1.709 13.345 3.317 1.00 0.00 N ATOM 868 CA PHE A 57 0.303 13.565 3.000 1.00 0.00 C ATOM 869 C PHE A 57 -0.555 12.370 3.423 1.00 0.00 C ATOM 870 O PHE A 57 -1.560 12.541 4.107 1.00 0.00 O ATOM 871 CB PHE A 57 0.129 13.852 1.497 1.00 0.00 C ATOM 872 CG PHE A 57 -1.305 14.137 1.099 1.00 0.00 C ATOM 873 CD1 PHE A 57 -1.963 15.253 1.645 1.00 0.00 C ATOM 874 CD2 PHE A 57 -2.002 13.260 0.250 1.00 0.00 C ATOM 875 CE1 PHE A 57 -3.325 15.467 1.383 1.00 0.00 C ATOM 876 CE2 PHE A 57 -3.362 13.483 -0.024 1.00 0.00 C ATOM 877 CZ PHE A 57 -4.028 14.575 0.558 1.00 0.00 C ATOM 0 H PHE A 57 1.909 12.403 3.652 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.036 14.435 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.750 14.705 1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.493 12.997 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.419 15.948 2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.493 12.416 -0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.832 16.317 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.896 12.814 -0.683 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.081 14.728 0.371 1.00 0.00 H new ATOM 887 N LYS A 58 -0.168 11.160 3.001 1.00 0.00 N ATOM 888 CA LYS A 58 -0.850 9.920 3.344 1.00 0.00 C ATOM 889 C LYS A 58 0.214 8.869 3.650 1.00 0.00 C ATOM 890 O LYS A 58 1.309 8.933 3.091 1.00 0.00 O ATOM 891 CB LYS A 58 -1.829 9.504 2.234 1.00 0.00 C ATOM 892 CG LYS A 58 -1.202 9.336 0.841 1.00 0.00 C ATOM 893 CD LYS A 58 -2.324 9.205 -0.203 1.00 0.00 C ATOM 894 CE LYS A 58 -1.767 9.101 -1.630 1.00 0.00 C ATOM 895 NZ LYS A 58 -2.827 9.274 -2.647 1.00 0.00 N ATOM 0 H LYS A 58 0.644 11.020 2.400 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.470 10.046 4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.299 8.563 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.621 10.250 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.569 10.192 0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.564 8.453 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.924 8.323 0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.987 10.067 -0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.996 9.858 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.289 8.130 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.400 9.282 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.505 8.488 -2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.322 10.174 -2.483 1.00 0.00 H new ATOM 909 N ASN A 59 -0.080 7.967 4.595 1.00 0.00 N ATOM 910 CA ASN A 59 0.922 7.129 5.249 1.00 0.00 C ATOM 911 C ASN A 59 0.316 5.783 5.624 1.00 0.00 C ATOM 912 O ASN A 59 0.423 5.340 6.764 1.00 0.00 O ATOM 913 CB ASN A 59 1.487 7.857 6.483 1.00 0.00 C ATOM 914 CG ASN A 59 2.114 9.194 6.109 1.00 0.00 C ATOM 915 OD1 ASN A 59 1.467 10.233 6.193 1.00 0.00 O ATOM 916 ND2 ASN A 59 3.359 9.181 5.645 1.00 0.00 N ATOM 0 H ASN A 59 -1.030 7.800 4.927 1.00 0.00 H new ATOM 0 HA ASN A 59 1.746 6.942 4.560 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.689 8.019 7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.234 7.227 6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.801 10.050 5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.872 8.302 5.587 1.00 0.00 H new ATOM 923 N THR A 60 -0.351 5.144 4.665 1.00 0.00 N ATOM 924 CA THR A 60 -1.119 3.937 4.917 1.00 0.00 C ATOM 925 C THR A 60 -0.217 2.704 4.840 1.00 0.00 C ATOM 926 O THR A 60 0.788 2.718 4.125 1.00 0.00 O ATOM 927 CB THR A 60 -2.287 3.889 3.928 1.00 0.00 C ATOM 928 OG1 THR A 60 -1.855 4.081 2.596 1.00 0.00 O ATOM 929 CG2 THR A 60 -3.254 5.036 4.238 1.00 0.00 C ATOM 0 H THR A 60 -0.371 5.452 3.693 1.00 0.00 H new ATOM 0 HA THR A 60 -1.531 3.945 5.926 1.00 0.00 H new ATOM 0 HB THR A 60 -2.755 2.910 4.029 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.980 3.658 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.088 5.008 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.631 4.929 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.732 5.988 4.142 1.00 0.00 H new ATOM 937 N GLU A 61 -0.576 1.653 5.583 1.00 0.00 N ATOM 938 CA GLU A 61 0.166 0.407 5.654 1.00 0.00 C ATOM 939 C GLU A 61 -0.719 -0.762 5.224 1.00 0.00 C ATOM 940 O GLU A 61 -1.922 -0.765 5.477 1.00 0.00 O ATOM 941 CB GLU A 61 0.767 0.225 7.051 1.00 0.00 C ATOM 942 CG GLU A 61 -0.241 0.234 8.208 1.00 0.00 C ATOM 943 CD GLU A 61 0.464 0.204 9.560 1.00 0.00 C ATOM 944 OE1 GLU A 61 1.626 -0.265 9.591 1.00 0.00 O ATOM 945 OE2 GLU A 61 -0.139 0.695 10.534 1.00 0.00 O ATOM 0 H GLU A 61 -1.414 1.653 6.164 1.00 0.00 H new ATOM 0 HA GLU A 61 1.003 0.438 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.312 -0.719 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.496 1.018 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.866 1.125 8.141 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.904 -0.627 8.122 1.00 0.00 H new ATOM 952 N ILE A 62 -0.111 -1.720 4.526 1.00 0.00 N ATOM 953 CA ILE A 62 -0.758 -2.843 3.876 1.00 0.00 C ATOM 954 C ILE A 62 0.075 -4.071 4.265 1.00 0.00 C ATOM 955 O ILE A 62 1.098 -4.339 3.634 1.00 0.00 O ATOM 956 CB ILE A 62 -0.767 -2.606 2.348 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.306 -1.221 1.931 1.00 0.00 C ATOM 958 CG2 ILE A 62 -1.574 -3.712 1.659 1.00 0.00 C ATOM 959 CD1 ILE A 62 -0.925 -0.857 0.490 1.00 0.00 C ATOM 0 H ILE A 62 0.901 -1.728 4.396 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.797 -2.977 4.178 1.00 0.00 H new ATOM 0 HB ILE A 62 0.274 -2.633 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.391 -1.211 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.916 -0.463 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.579 -3.542 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.120 -4.680 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.598 -3.702 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.327 0.126 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.161 -0.839 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.337 -1.599 -0.194 1.00 0.00 H new ATOM 971 N SER A 63 -0.314 -4.775 5.332 1.00 0.00 N ATOM 972 CA SER A 63 0.409 -5.894 5.932 1.00 0.00 C ATOM 973 C SER A 63 -0.266 -7.215 5.562 1.00 0.00 C ATOM 974 O SER A 63 -1.460 -7.351 5.828 1.00 0.00 O ATOM 975 CB SER A 63 0.343 -5.700 7.449 1.00 0.00 C ATOM 976 OG SER A 63 -1.005 -5.459 7.814 1.00 0.00 O ATOM 0 H SER A 63 -1.184 -4.568 5.823 1.00 0.00 H new ATOM 0 HA SER A 63 1.439 -5.924 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.721 -6.585 7.961 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.973 -4.863 7.751 1.00 0.00 H new ATOM 0 HG SER A 63 -1.598 -6.003 7.254 1.00 0.00 H new ATOM 982 N PHE A 64 0.456 -8.183 4.981 1.00 0.00 N ATOM 983 CA PHE A 64 -0.169 -9.393 4.461 1.00 0.00 C ATOM 984 C PHE A 64 0.799 -10.557 4.253 1.00 0.00 C ATOM 985 O PHE A 64 2.020 -10.419 4.325 1.00 0.00 O ATOM 986 CB PHE A 64 -0.892 -9.064 3.150 1.00 0.00 C ATOM 987 CG PHE A 64 -0.027 -8.448 2.063 1.00 0.00 C ATOM 988 CD1 PHE A 64 0.222 -7.066 2.070 1.00 0.00 C ATOM 989 CD2 PHE A 64 0.512 -9.239 1.036 1.00 0.00 C ATOM 990 CE1 PHE A 64 0.997 -6.474 1.063 1.00 0.00 C ATOM 991 CE2 PHE A 64 1.336 -8.658 0.058 1.00 0.00 C ATOM 992 CZ PHE A 64 1.552 -7.271 0.049 1.00 0.00 C ATOM 0 H PHE A 64 1.468 -8.146 4.863 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.875 -9.731 5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.337 -9.980 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.712 -8.380 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.188 -6.453 2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.293 -10.296 0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.167 -5.407 1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.805 -9.281 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.142 -6.819 -0.734 1.00 0.00 H new ATOM 1002 N LYS A 65 0.205 -11.719 3.969 1.00 0.00 N ATOM 1003 CA LYS A 65 0.853 -12.901 3.435 1.00 0.00 C ATOM 1004 C LYS A 65 0.689 -12.820 1.919 1.00 0.00 C ATOM 1005 O LYS A 65 -0.426 -12.627 1.438 1.00 0.00 O ATOM 1006 CB LYS A 65 0.131 -14.130 4.011 1.00 0.00 C ATOM 1007 CG LYS A 65 0.801 -15.475 3.718 1.00 0.00 C ATOM 1008 CD LYS A 65 2.047 -15.662 4.590 1.00 0.00 C ATOM 1009 CE LYS A 65 2.598 -17.084 4.452 1.00 0.00 C ATOM 1010 NZ LYS A 65 3.821 -17.253 5.256 1.00 0.00 N ATOM 0 H LYS A 65 -0.795 -11.859 4.116 1.00 0.00 H new ATOM 0 HA LYS A 65 1.910 -12.972 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.049 -14.010 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.884 -14.154 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.096 -16.286 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.077 -15.527 2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.811 -14.941 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.800 -15.462 5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.844 -17.803 4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.814 -17.295 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.110 -18.252 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.582 -16.667 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.635 -16.960 6.236 1.00 0.00 H new ATOM 1024 N LEU A 66 1.777 -12.934 1.156 1.00 0.00 N ATOM 1025 CA LEU A 66 1.739 -12.840 -0.299 1.00 0.00 C ATOM 1026 C LEU A 66 1.157 -14.121 -0.915 1.00 0.00 C ATOM 1027 O LEU A 66 1.845 -14.852 -1.623 1.00 0.00 O ATOM 1028 CB LEU A 66 3.128 -12.468 -0.846 1.00 0.00 C ATOM 1029 CG LEU A 66 4.280 -13.356 -0.325 1.00 0.00 C ATOM 1030 CD1 LEU A 66 5.227 -13.757 -1.464 1.00 0.00 C ATOM 1031 CD2 LEU A 66 5.095 -12.632 0.760 1.00 0.00 C ATOM 0 H LEU A 66 2.711 -13.095 1.534 1.00 0.00 H new ATOM 0 HA LEU A 66 1.065 -12.036 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.104 -12.527 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.340 -11.431 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 66 3.823 -14.249 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.028 -14.381 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.672 -14.314 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.654 -12.861 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.898 -13.282 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.521 -11.718 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.444 -12.381 1.598 1.00 0.00 H new ATOM 1043 N GLY A 67 -0.120 -14.387 -0.632 1.00 0.00 N ATOM 1044 CA GLY A 67 -0.841 -15.573 -1.070 1.00 0.00 C ATOM 1045 C GLY A 67 -2.045 -15.813 -0.162 1.00 0.00 C ATOM 1046 O GLY A 67 -2.155 -16.883 0.433 1.00 0.00 O ATOM 0 H GLY A 67 -0.696 -13.758 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.171 -15.449 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.180 -16.440 -1.049 1.00 0.00 H new ATOM 1050 N VAL A 68 -2.929 -14.818 -0.028 1.00 0.00 N ATOM 1051 CA VAL A 68 -4.120 -14.883 0.819 1.00 0.00 C ATOM 1052 C VAL A 68 -4.999 -13.670 0.505 1.00 0.00 C ATOM 1053 O VAL A 68 -4.552 -12.773 -0.216 1.00 0.00 O ATOM 1054 CB VAL A 68 -3.728 -14.952 2.319 1.00 0.00 C ATOM 1055 CG1 VAL A 68 -3.456 -13.572 2.939 1.00 0.00 C ATOM 1056 CG2 VAL A 68 -4.772 -15.693 3.164 1.00 0.00 C ATOM 0 H VAL A 68 -2.832 -13.928 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.685 -15.792 0.610 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.796 -15.518 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.187 -13.691 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.636 -13.089 2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.352 -12.955 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.450 -15.713 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.731 -15.179 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.879 -16.714 2.797 1.00 0.00 H new ATOM 1066 N GLU A 69 -6.208 -13.612 1.082 1.00 0.00 N ATOM 1067 CA GLU A 69 -6.951 -12.368 1.204 1.00 0.00 C ATOM 1068 C GLU A 69 -6.963 -11.864 2.644 1.00 0.00 C ATOM 1069 O GLU A 69 -6.895 -12.650 3.588 1.00 0.00 O ATOM 1070 CB GLU A 69 -8.343 -12.454 0.572 1.00 0.00 C ATOM 1071 CG GLU A 69 -9.374 -13.340 1.279 1.00 0.00 C ATOM 1072 CD GLU A 69 -10.761 -13.056 0.712 1.00 0.00 C ATOM 1073 OE1 GLU A 69 -10.907 -13.135 -0.525 1.00 0.00 O ATOM 1074 OE2 GLU A 69 -11.641 -12.688 1.522 1.00 0.00 O ATOM 0 H GLU A 69 -6.687 -14.424 1.472 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.423 -11.612 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.750 -11.445 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.229 -12.816 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.121 -14.391 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.361 -13.147 2.352 1.00 0.00 H new ATOM 1081 N PHE A 70 -7.002 -10.542 2.796 1.00 0.00 N ATOM 1082 CA PHE A 70 -6.897 -9.838 4.062 1.00 0.00 C ATOM 1083 C PHE A 70 -7.635 -8.507 3.938 1.00 0.00 C ATOM 1084 O PHE A 70 -8.045 -8.121 2.844 1.00 0.00 O ATOM 1085 CB PHE A 70 -5.418 -9.630 4.420 1.00 0.00 C ATOM 1086 CG PHE A 70 -4.640 -8.805 3.411 1.00 0.00 C ATOM 1087 CD1 PHE A 70 -4.149 -9.405 2.239 1.00 0.00 C ATOM 1088 CD2 PHE A 70 -4.418 -7.433 3.637 1.00 0.00 C ATOM 1089 CE1 PHE A 70 -3.418 -8.647 1.310 1.00 0.00 C ATOM 1090 CE2 PHE A 70 -3.688 -6.675 2.707 1.00 0.00 C ATOM 1091 CZ PHE A 70 -3.177 -7.284 1.548 1.00 0.00 C ATOM 0 H PHE A 70 -7.112 -9.910 2.003 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.351 -10.420 4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.357 -9.143 5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.940 -10.605 4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.334 -10.452 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.810 -6.963 4.527 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.041 -9.113 0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.519 -5.623 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.600 -6.705 0.842 1.00 0.00 H new ATOM 1101 N ASP A 71 -7.833 -7.823 5.063 1.00 0.00 N ATOM 1102 CA ASP A 71 -8.549 -6.560 5.127 1.00 0.00 C ATOM 1103 C ASP A 71 -7.527 -5.427 4.986 1.00 0.00 C ATOM 1104 O ASP A 71 -6.558 -5.392 5.744 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.298 -6.525 6.464 1.00 0.00 C ATOM 1106 CG ASP A 71 -10.501 -5.607 6.427 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -10.348 -4.404 6.125 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -11.613 -6.078 6.758 1.00 0.00 O ATOM 0 H ASP A 71 -7.492 -8.141 5.970 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.279 -6.444 4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.621 -7.533 6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.618 -6.197 7.250 1.00 0.00 H new ATOM 1113 N GLU A 72 -7.686 -4.562 3.981 1.00 0.00 N ATOM 1114 CA GLU A 72 -6.785 -3.460 3.664 1.00 0.00 C ATOM 1115 C GLU A 72 -7.574 -2.163 3.847 1.00 0.00 C ATOM 1116 O GLU A 72 -8.739 -2.095 3.462 1.00 0.00 O ATOM 1117 CB GLU A 72 -6.272 -3.656 2.227 1.00 0.00 C ATOM 1118 CG GLU A 72 -5.446 -2.499 1.641 1.00 0.00 C ATOM 1119 CD GLU A 72 -4.907 -2.796 0.239 1.00 0.00 C ATOM 1120 OE1 GLU A 72 -5.637 -3.374 -0.596 1.00 0.00 O ATOM 1121 OE2 GLU A 72 -3.758 -2.402 -0.044 1.00 0.00 O ATOM 0 H GLU A 72 -8.479 -4.616 3.342 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.912 -3.422 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.664 -4.560 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.130 -3.829 1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.064 -1.602 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.610 -2.283 2.307 1.00 0.00 H new ATOM 1128 N THR A 73 -6.952 -1.143 4.443 1.00 0.00 N ATOM 1129 CA THR A 73 -7.598 0.124 4.751 1.00 0.00 C ATOM 1130 C THR A 73 -6.622 1.250 4.427 1.00 0.00 C ATOM 1131 O THR A 73 -5.634 1.418 5.139 1.00 0.00 O ATOM 1132 CB THR A 73 -8.028 0.132 6.228 1.00 0.00 C ATOM 1133 OG1 THR A 73 -8.858 -0.978 6.495 1.00 0.00 O ATOM 1134 CG2 THR A 73 -8.836 1.379 6.592 1.00 0.00 C ATOM 0 H THR A 73 -5.973 -1.180 4.727 1.00 0.00 H new ATOM 0 HA THR A 73 -8.497 0.266 4.152 1.00 0.00 H new ATOM 0 HB THR A 73 -7.109 0.106 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.126 -0.967 7.438 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.116 1.337 7.645 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.233 2.269 6.412 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.736 1.421 5.979 1.00 0.00 H new ATOM 1142 N THR A 74 -6.881 2.009 3.357 1.00 0.00 N ATOM 1143 CA THR A 74 -6.037 3.121 2.941 1.00 0.00 C ATOM 1144 C THR A 74 -6.915 4.359 2.750 1.00 0.00 C ATOM 1145 O THR A 74 -7.952 4.289 2.100 1.00 0.00 O ATOM 1146 CB THR A 74 -5.228 2.723 1.690 1.00 0.00 C ATOM 1147 OG1 THR A 74 -4.384 3.781 1.274 1.00 0.00 O ATOM 1148 CG2 THR A 74 -6.106 2.298 0.508 1.00 0.00 C ATOM 0 H THR A 74 -7.691 1.863 2.754 1.00 0.00 H new ATOM 0 HA THR A 74 -5.300 3.370 3.704 1.00 0.00 H new ATOM 0 HB THR A 74 -4.634 1.860 1.991 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.517 3.704 1.724 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.473 2.031 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.710 1.437 0.795 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.760 3.123 0.226 1.00 0.00 H new ATOM 1156 N ALA A 75 -6.551 5.500 3.342 1.00 0.00 N ATOM 1157 CA ALA A 75 -7.380 6.700 3.379 1.00 0.00 C ATOM 1158 C ALA A 75 -7.426 7.468 2.047 1.00 0.00 C ATOM 1159 O ALA A 75 -7.379 8.697 2.048 1.00 0.00 O ATOM 1160 CB ALA A 75 -6.907 7.590 4.536 1.00 0.00 C ATOM 0 H ALA A 75 -5.655 5.614 3.816 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.411 6.387 3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.519 8.491 4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.002 7.046 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.864 7.866 4.380 1.00 0.00 H new ATOM 1166 N ASP A 76 -7.590 6.762 0.924 1.00 0.00 N ATOM 1167 CA ASP A 76 -8.141 7.310 -0.310 1.00 0.00 C ATOM 1168 C ASP A 76 -8.923 6.213 -1.051 1.00 0.00 C ATOM 1169 O ASP A 76 -10.106 6.401 -1.339 1.00 0.00 O ATOM 1170 CB ASP A 76 -7.119 8.124 -1.138 1.00 0.00 C ATOM 1171 CG ASP A 76 -5.974 7.377 -1.799 1.00 0.00 C ATOM 1172 OD1 ASP A 76 -5.960 6.131 -1.782 1.00 0.00 O ATOM 1173 OD2 ASP A 76 -5.136 8.057 -2.441 1.00 0.00 O ATOM 0 H ASP A 76 -7.338 5.776 0.850 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.870 8.085 -0.075 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.667 8.651 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.688 8.882 -0.484 1.00 0.00 H new ATOM 1178 N ASP A 77 -8.306 5.049 -1.286 1.00 0.00 N ATOM 1179 CA ASP A 77 -8.964 3.863 -1.854 1.00 0.00 C ATOM 1180 C ASP A 77 -9.877 3.116 -0.861 1.00 0.00 C ATOM 1181 O ASP A 77 -10.615 2.217 -1.256 1.00 0.00 O ATOM 1182 CB ASP A 77 -7.947 2.937 -2.553 1.00 0.00 C ATOM 1183 CG ASP A 77 -8.164 2.902 -4.063 1.00 0.00 C ATOM 1184 OD1 ASP A 77 -9.254 2.452 -4.472 1.00 0.00 O ATOM 1185 OD2 ASP A 77 -7.257 3.377 -4.789 1.00 0.00 O ATOM 0 H ASP A 77 -7.317 4.901 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.647 4.232 -2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.935 3.280 -2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.035 1.929 -2.149 1.00 0.00 H new ATOM 1190 N ARG A 78 -9.884 3.527 0.410 1.00 0.00 N ATOM 1191 CA ARG A 78 -10.855 3.184 1.451 1.00 0.00 C ATOM 1192 C ARG A 78 -10.539 1.830 2.106 1.00 0.00 C ATOM 1193 O ARG A 78 -9.399 1.364 2.065 1.00 0.00 O ATOM 1194 CB ARG A 78 -12.316 3.283 0.954 1.00 0.00 C ATOM 1195 CG ARG A 78 -12.643 4.570 0.177 1.00 0.00 C ATOM 1196 CD ARG A 78 -13.260 4.220 -1.183 1.00 0.00 C ATOM 1197 NE ARG A 78 -13.435 5.408 -2.031 1.00 0.00 N ATOM 1198 CZ ARG A 78 -13.726 5.364 -3.341 1.00 0.00 C ATOM 1199 NH1 ARG A 78 -13.798 4.194 -3.984 1.00 0.00 N ATOM 1200 NH2 ARG A 78 -13.930 6.486 -4.032 1.00 0.00 N ATOM 0 H ARG A 78 -9.160 4.152 0.763 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.757 3.936 2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.528 2.425 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.984 3.213 1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.335 5.186 0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.737 5.158 0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.623 3.500 -1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.226 3.739 -1.030 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.329 6.325 -1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.631 3.324 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.020 4.172 -4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.866 7.391 -3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.150 6.439 -5.027 1.00 0.00 H new ATOM 1214 N LYS A 79 -11.551 1.225 2.743 1.00 0.00 N ATOM 1215 CA LYS A 79 -11.526 -0.134 3.257 1.00 0.00 C ATOM 1216 C LYS A 79 -11.874 -1.076 2.106 1.00 0.00 C ATOM 1217 O LYS A 79 -12.896 -0.881 1.448 1.00 0.00 O ATOM 1218 CB LYS A 79 -12.550 -0.268 4.394 1.00 0.00 C ATOM 1219 CG LYS A 79 -12.527 -1.674 5.007 1.00 0.00 C ATOM 1220 CD LYS A 79 -13.686 -1.839 6.001 1.00 0.00 C ATOM 1221 CE LYS A 79 -13.827 -3.301 6.440 1.00 0.00 C ATOM 1222 NZ LYS A 79 -12.633 -3.777 7.159 1.00 0.00 N ATOM 0 H LYS A 79 -12.440 1.695 2.916 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.542 -0.384 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.336 0.471 5.167 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -13.548 -0.052 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.605 -2.423 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.577 -1.842 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.515 -1.208 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.615 -1.502 5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.702 -3.404 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.997 -3.928 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.678 -4.811 7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.779 -3.518 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.598 -3.339 8.102 1.00 0.00 H new ATOM 1236 N VAL A 80 -11.043 -2.090 1.873 1.00 0.00 N ATOM 1237 CA VAL A 80 -11.152 -3.015 0.759 1.00 0.00 C ATOM 1238 C VAL A 80 -10.683 -4.392 1.250 1.00 0.00 C ATOM 1239 O VAL A 80 -9.764 -4.476 2.065 1.00 0.00 O ATOM 1240 CB VAL A 80 -10.314 -2.483 -0.423 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -10.700 -1.052 -0.820 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -8.814 -2.466 -0.130 1.00 0.00 C ATOM 0 H VAL A 80 -10.248 -2.293 2.480 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.178 -3.109 0.402 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.531 -3.178 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.080 -0.727 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.749 -1.027 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.545 -0.385 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.278 -2.082 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.618 -1.825 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.474 -3.479 0.088 1.00 0.00 H new ATOM 1252 N LYS A 81 -11.302 -5.479 0.782 1.00 0.00 N ATOM 1253 CA LYS A 81 -10.752 -6.812 0.965 1.00 0.00 C ATOM 1254 C LYS A 81 -9.693 -7.003 -0.119 1.00 0.00 C ATOM 1255 O LYS A 81 -9.988 -7.016 -1.313 1.00 0.00 O ATOM 1256 CB LYS A 81 -11.846 -7.893 0.927 1.00 0.00 C ATOM 1257 CG LYS A 81 -11.297 -9.294 1.268 1.00 0.00 C ATOM 1258 CD LYS A 81 -11.014 -9.490 2.770 1.00 0.00 C ATOM 1259 CE LYS A 81 -12.271 -9.882 3.560 1.00 0.00 C ATOM 1260 NZ LYS A 81 -12.556 -11.328 3.451 1.00 0.00 N ATOM 0 H LYS A 81 -12.186 -5.455 0.273 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.298 -6.914 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.635 -7.633 1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.299 -7.914 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.013 -10.047 0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.378 -9.462 0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.255 -10.262 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.603 -8.568 3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.140 -9.615 4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.125 -9.314 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.584 -11.475 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.098 -11.709 2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.187 -11.819 4.290 1.00 0.00 H new ATOM 1274 N SER A 82 -8.444 -7.125 0.306 1.00 0.00 N ATOM 1275 CA SER A 82 -7.297 -7.240 -0.562 1.00 0.00 C ATOM 1276 C SER A 82 -6.949 -8.707 -0.722 1.00 0.00 C ATOM 1277 O SER A 82 -6.619 -9.344 0.273 1.00 0.00 O ATOM 1278 CB SER A 82 -6.152 -6.477 0.092 1.00 0.00 C ATOM 1279 OG SER A 82 -4.982 -6.577 -0.687 1.00 0.00 O ATOM 0 H SER A 82 -8.201 -7.147 1.296 1.00 0.00 H new ATOM 0 HA SER A 82 -7.496 -6.826 -1.551 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.427 -5.429 0.212 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.966 -6.874 1.090 1.00 0.00 H new ATOM 0 HG SER A 82 -4.322 -7.129 -0.217 1.00 0.00 H new ATOM 1285 N ILE A 83 -6.985 -9.229 -1.949 1.00 0.00 N ATOM 1286 CA ILE A 83 -6.418 -10.525 -2.276 1.00 0.00 C ATOM 1287 C ILE A 83 -5.034 -10.267 -2.865 1.00 0.00 C ATOM 1288 O ILE A 83 -4.919 -9.479 -3.804 1.00 0.00 O ATOM 1289 CB ILE A 83 -7.321 -11.298 -3.252 1.00 0.00 C ATOM 1290 CG1 ILE A 83 -8.809 -11.154 -2.875 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -6.852 -12.760 -3.316 1.00 0.00 C ATOM 1292 CD1 ILE A 83 -9.720 -12.186 -3.545 1.00 0.00 C ATOM 0 H ILE A 83 -7.413 -8.756 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.339 -11.150 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.234 -10.874 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.910 -11.242 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.148 -10.154 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.487 -13.316 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.820 -12.796 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.916 -13.207 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.750 -12.020 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.650 -12.084 -4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.409 -13.189 -3.254 1.00 0.00 H new ATOM 1304 N VAL A 84 -3.989 -10.903 -2.325 1.00 0.00 N ATOM 1305 CA VAL A 84 -2.672 -10.898 -2.948 1.00 0.00 C ATOM 1306 C VAL A 84 -2.249 -12.336 -3.222 1.00 0.00 C ATOM 1307 O VAL A 84 -2.371 -13.193 -2.345 1.00 0.00 O ATOM 1308 CB VAL A 84 -1.626 -10.142 -2.112 1.00 0.00 C ATOM 1309 CG1 VAL A 84 -0.264 -10.224 -2.806 1.00 0.00 C ATOM 1310 CG2 VAL A 84 -1.959 -8.651 -2.033 1.00 0.00 C ATOM 0 H VAL A 84 -4.036 -11.429 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.736 -10.355 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.617 -10.593 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.479 -9.688 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.033 -11.268 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.333 -9.774 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.203 -8.141 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.975 -8.228 -3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.937 -8.521 -1.569 1.00 0.00 H new ATOM 1320 N THR A 85 -1.723 -12.552 -4.429 1.00 0.00 N ATOM 1321 CA THR A 85 -1.159 -13.798 -4.922 1.00 0.00 C ATOM 1322 C THR A 85 0.045 -13.389 -5.781 1.00 0.00 C ATOM 1323 O THR A 85 0.213 -12.202 -6.055 1.00 0.00 O ATOM 1324 CB THR A 85 -2.252 -14.546 -5.715 1.00 0.00 C ATOM 1325 OG1 THR A 85 -3.400 -14.678 -4.897 1.00 0.00 O ATOM 1326 CG2 THR A 85 -1.835 -15.949 -6.175 1.00 0.00 C ATOM 0 H THR A 85 -1.680 -11.811 -5.128 1.00 0.00 H new ATOM 0 HA THR A 85 -0.827 -14.479 -4.139 1.00 0.00 H new ATOM 0 HB THR A 85 -2.443 -13.954 -6.610 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.102 -15.151 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.655 -16.410 -6.725 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.961 -15.875 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.592 -16.560 -5.305 1.00 0.00 H new ATOM 1334 N LEU A 86 0.888 -14.327 -6.217 1.00 0.00 N ATOM 1335 CA LEU A 86 1.866 -14.078 -7.267 1.00 0.00 C ATOM 1336 C LEU A 86 1.559 -15.027 -8.419 1.00 0.00 C ATOM 1337 O LEU A 86 1.268 -16.198 -8.178 1.00 0.00 O ATOM 1338 CB LEU A 86 3.294 -14.177 -6.709 1.00 0.00 C ATOM 1339 CG LEU A 86 3.738 -15.588 -6.283 1.00 0.00 C ATOM 1340 CD1 LEU A 86 4.507 -16.299 -7.404 1.00 0.00 C ATOM 1341 CD2 LEU A 86 4.637 -15.487 -5.044 1.00 0.00 C ATOM 0 H LEU A 86 0.909 -15.278 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 86 1.799 -13.062 -7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.988 -13.808 -7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.377 -13.513 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 86 2.843 -16.169 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.805 -17.292 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.868 -16.390 -8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.395 -15.721 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.952 -16.485 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.515 -14.885 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.084 -15.019 -4.230 1.00 0.00 H new ATOM 1353 N ASP A 87 1.542 -14.510 -9.650 1.00 0.00 N ATOM 1354 CA ASP A 87 1.140 -15.279 -10.824 1.00 0.00 C ATOM 1355 C ASP A 87 2.294 -16.140 -11.350 1.00 0.00 C ATOM 1356 O ASP A 87 2.059 -17.153 -12.005 1.00 0.00 O ATOM 1357 CB ASP A 87 0.498 -14.371 -11.891 1.00 0.00 C ATOM 1358 CG ASP A 87 1.415 -13.306 -12.478 1.00 0.00 C ATOM 1359 OD1 ASP A 87 2.642 -13.522 -12.434 1.00 0.00 O ATOM 1360 OD2 ASP A 87 0.887 -12.286 -12.966 1.00 0.00 O ATOM 0 H ASP A 87 1.807 -13.547 -9.858 1.00 0.00 H new ATOM 0 HA ASP A 87 0.362 -15.984 -10.530 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.130 -14.998 -12.703 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.369 -13.878 -11.451 1.00 0.00 H new ATOM 1365 N GLY A 88 3.534 -15.753 -11.035 1.00 0.00 N ATOM 1366 CA GLY A 88 4.754 -16.412 -11.481 1.00 0.00 C ATOM 1367 C GLY A 88 5.672 -15.411 -12.179 1.00 0.00 C ATOM 1368 O GLY A 88 6.892 -15.527 -12.097 1.00 0.00 O ATOM 0 H GLY A 88 3.716 -14.944 -10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.269 -16.855 -10.628 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.507 -17.226 -12.162 1.00 0.00 H new ATOM 1372 N GLY A 89 5.080 -14.426 -12.856 1.00 0.00 N ATOM 1373 CA GLY A 89 5.759 -13.329 -13.519 1.00 0.00 C ATOM 1374 C GLY A 89 5.663 -12.029 -12.719 1.00 0.00 C ATOM 1375 O GLY A 89 6.493 -11.149 -12.930 1.00 0.00 O ATOM 0 H GLY A 89 4.066 -14.376 -12.957 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.808 -13.588 -13.666 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.326 -13.179 -14.508 1.00 0.00 H new ATOM 1379 N LYS A 90 4.650 -11.877 -11.855 1.00 0.00 N ATOM 1380 CA LYS A 90 4.431 -10.707 -11.013 1.00 0.00 C ATOM 1381 C LYS A 90 3.725 -11.079 -9.708 1.00 0.00 C ATOM 1382 O LYS A 90 3.064 -12.116 -9.614 1.00 0.00 O ATOM 1383 CB LYS A 90 3.584 -9.666 -11.774 1.00 0.00 C ATOM 1384 CG LYS A 90 4.429 -8.638 -12.542 1.00 0.00 C ATOM 1385 CD LYS A 90 3.857 -8.311 -13.924 1.00 0.00 C ATOM 1386 CE LYS A 90 4.154 -9.462 -14.898 1.00 0.00 C ATOM 1387 NZ LYS A 90 3.691 -9.162 -16.267 1.00 0.00 N ATOM 0 H LYS A 90 3.938 -12.595 -11.723 1.00 0.00 H new ATOM 0 HA LYS A 90 5.406 -10.287 -10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.929 -10.183 -12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.943 -9.142 -11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.498 -7.721 -11.956 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.443 -9.021 -12.655 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.781 -8.151 -13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.293 -7.385 -14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.226 -9.657 -14.913 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.670 -10.372 -14.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.911 -9.964 -16.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.664 -9.001 -16.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.172 -8.309 -16.617 1.00 0.00 H new ATOM 1401 N LEU A 91 3.825 -10.182 -8.719 1.00 0.00 N ATOM 1402 CA LEU A 91 2.974 -10.168 -7.541 1.00 0.00 C ATOM 1403 C LEU A 91 1.702 -9.412 -7.928 1.00 0.00 C ATOM 1404 O LEU A 91 1.796 -8.283 -8.412 1.00 0.00 O ATOM 1405 CB LEU A 91 3.738 -9.517 -6.377 1.00 0.00 C ATOM 1406 CG LEU A 91 2.932 -9.438 -5.069 1.00 0.00 C ATOM 1407 CD1 LEU A 91 3.886 -9.639 -3.883 1.00 0.00 C ATOM 1408 CD2 LEU A 91 2.221 -8.086 -4.908 1.00 0.00 C ATOM 0 H LEU A 91 4.517 -9.433 -8.724 1.00 0.00 H new ATOM 0 HA LEU A 91 2.698 -11.167 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.653 -10.081 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.037 -8.510 -6.669 1.00 0.00 H new ATOM 0 HG LEU A 91 2.170 -10.217 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.324 -9.585 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.364 -10.615 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.648 -8.860 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.665 -8.077 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.960 -7.285 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.533 -7.936 -5.740 1.00 0.00 H new ATOM 1420 N VAL A 92 0.528 -10.027 -7.756 1.00 0.00 N ATOM 1421 CA VAL A 92 -0.757 -9.471 -8.159 1.00 0.00 C ATOM 1422 C VAL A 92 -1.605 -9.192 -6.913 1.00 0.00 C ATOM 1423 O VAL A 92 -1.756 -10.053 -6.048 1.00 0.00 O ATOM 1424 CB VAL A 92 -1.456 -10.369 -9.203 1.00 0.00 C ATOM 1425 CG1 VAL A 92 -0.464 -10.943 -10.229 1.00 0.00 C ATOM 1426 CG2 VAL A 92 -2.262 -11.522 -8.592 1.00 0.00 C ATOM 0 H VAL A 92 0.448 -10.947 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.606 -8.517 -8.664 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.158 -9.702 -9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.000 -11.568 -10.943 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.026 -10.126 -10.758 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.286 -11.543 -9.714 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.722 -12.106 -9.389 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.598 -12.161 -8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.039 -11.119 -7.942 1.00 0.00 H new ATOM 1436 N HIS A 93 -2.128 -7.967 -6.820 1.00 0.00 N ATOM 1437 CA HIS A 93 -2.957 -7.438 -5.747 1.00 0.00 C ATOM 1438 C HIS A 93 -4.333 -7.160 -6.349 1.00 0.00 C ATOM 1439 O HIS A 93 -4.545 -6.109 -6.956 1.00 0.00 O ATOM 1440 CB HIS A 93 -2.277 -6.175 -5.192 1.00 0.00 C ATOM 1441 CG HIS A 93 -3.049 -5.323 -4.202 1.00 0.00 C ATOM 1442 ND1 HIS A 93 -2.806 -3.980 -3.971 1.00 0.00 N ATOM 1443 CD2 HIS A 93 -3.966 -5.741 -3.273 1.00 0.00 C ATOM 1444 CE1 HIS A 93 -3.549 -3.592 -2.920 1.00 0.00 C ATOM 1445 NE2 HIS A 93 -4.262 -4.641 -2.478 1.00 0.00 N ATOM 0 H HIS A 93 -1.968 -7.272 -7.549 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.077 -8.130 -4.913 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.346 -6.480 -4.714 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.008 -5.542 -6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.379 -6.734 -3.177 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.569 -2.598 -2.499 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.911 -4.631 -1.691 1.00 0.00 H new ATOM 1454 N VAL A 94 -5.245 -8.121 -6.192 1.00 0.00 N ATOM 1455 CA VAL A 94 -6.636 -8.009 -6.593 1.00 0.00 C ATOM 1456 C VAL A 94 -7.376 -7.407 -5.399 1.00 0.00 C ATOM 1457 O VAL A 94 -7.711 -8.090 -4.431 1.00 0.00 O ATOM 1458 CB VAL A 94 -7.172 -9.379 -7.040 1.00 0.00 C ATOM 1459 CG1 VAL A 94 -8.664 -9.303 -7.369 1.00 0.00 C ATOM 1460 CG2 VAL A 94 -6.427 -9.873 -8.287 1.00 0.00 C ATOM 0 H VAL A 94 -5.023 -9.022 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.777 -7.361 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.014 -10.072 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.018 -10.285 -7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.216 -8.984 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.823 -8.586 -8.174 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.822 -10.844 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.564 -9.159 -9.099 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.365 -9.967 -8.063 1.00 0.00 H new ATOM 1470 N GLN A 95 -7.551 -6.092 -5.444 1.00 0.00 N ATOM 1471 CA GLN A 95 -8.053 -5.278 -4.360 1.00 0.00 C ATOM 1472 C GLN A 95 -9.542 -5.038 -4.585 1.00 0.00 C ATOM 1473 O GLN A 95 -9.900 -4.301 -5.499 1.00 0.00 O ATOM 1474 CB GLN A 95 -7.233 -3.990 -4.397 1.00 0.00 C ATOM 1475 CG GLN A 95 -7.664 -2.981 -3.344 1.00 0.00 C ATOM 1476 CD GLN A 95 -6.839 -1.707 -3.472 1.00 0.00 C ATOM 1477 OE1 GLN A 95 -5.977 -1.454 -2.496 1.00 0.00 O flip ATOM 1478 NE2 GLN A 95 -6.947 -0.979 -4.457 1.00 0.00 N flip ATOM 0 H GLN A 95 -7.335 -5.546 -6.278 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.955 -5.744 -3.379 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.180 -4.232 -4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.322 -3.537 -5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.723 -2.751 -3.461 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.538 -3.406 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.622 -1.206 -5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.362 -0.148 -4.544 1.00 0.00 H new ATOM 1487 N LYS A 96 -10.416 -5.665 -3.793 1.00 0.00 N ATOM 1488 CA LYS A 96 -11.850 -5.651 -4.045 1.00 0.00 C ATOM 1489 C LYS A 96 -12.626 -5.065 -2.878 1.00 0.00 C ATOM 1490 O LYS A 96 -12.158 -5.086 -1.746 1.00 0.00 O ATOM 1491 CB LYS A 96 -12.322 -7.063 -4.407 1.00 0.00 C ATOM 1492 CG LYS A 96 -12.010 -8.144 -3.361 1.00 0.00 C ATOM 1493 CD LYS A 96 -12.678 -9.483 -3.714 1.00 0.00 C ATOM 1494 CE LYS A 96 -12.387 -9.827 -5.182 1.00 0.00 C ATOM 1495 NZ LYS A 96 -12.828 -11.165 -5.601 1.00 0.00 N ATOM 0 H LYS A 96 -10.146 -6.193 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.050 -4.995 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.399 -7.038 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.863 -7.351 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.931 -8.282 -3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.353 -7.813 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.302 -10.272 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.754 -9.420 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.871 -9.085 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.314 -9.743 -5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.592 -11.310 -6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.348 -11.885 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.857 -11.247 -5.473 1.00 0.00 H new ATOM 1509 N TRP A 97 -13.822 -4.545 -3.154 1.00 0.00 N ATOM 1510 CA TRP A 97 -14.696 -4.017 -2.116 1.00 0.00 C ATOM 1511 C TRP A 97 -16.105 -4.579 -2.258 1.00 0.00 C ATOM 1512 O TRP A 97 -16.576 -5.263 -1.352 1.00 0.00 O ATOM 1513 CB TRP A 97 -14.634 -2.489 -2.083 1.00 0.00 C ATOM 1514 CG TRP A 97 -14.479 -1.764 -3.385 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -15.481 -1.194 -4.087 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -13.249 -1.384 -4.077 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -14.961 -0.461 -5.129 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -13.587 -0.516 -5.153 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -11.877 -1.648 -3.882 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -12.623 0.102 -5.961 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -10.898 -0.983 -4.644 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -11.267 -0.093 -5.661 1.00 0.00 C ATOM 0 H TRP A 97 -14.207 -4.480 -4.096 1.00 0.00 H new ATOM 0 HA TRP A 97 -14.343 -4.350 -1.140 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.545 -2.128 -1.606 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -13.802 -2.202 -1.440 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.533 -1.298 -3.864 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.525 0.059 -5.801 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -11.574 -2.370 -3.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -12.919 0.717 -6.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -9.852 -1.161 -4.443 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -10.508 0.442 -6.213 1.00 0.00 H new ATOM 1533 N ASN A 98 -16.778 -4.328 -3.386 1.00 0.00 N ATOM 1534 CA ASN A 98 -18.128 -4.847 -3.595 1.00 0.00 C ATOM 1535 C ASN A 98 -18.514 -4.857 -5.074 1.00 0.00 C ATOM 1536 O ASN A 98 -18.506 -5.913 -5.697 1.00 0.00 O ATOM 1537 CB ASN A 98 -19.167 -4.151 -2.692 1.00 0.00 C ATOM 1538 CG ASN A 98 -19.157 -2.626 -2.774 1.00 0.00 C ATOM 1539 OD1 ASN A 98 -18.288 -1.970 -2.212 1.00 0.00 O ATOM 1540 ND2 ASN A 98 -20.108 -2.034 -3.492 1.00 0.00 N ATOM 0 H ASN A 98 -16.412 -3.774 -4.160 1.00 0.00 H new ATOM 0 HA ASN A 98 -18.125 -5.891 -3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -20.161 -4.510 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -18.988 -4.448 -1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -20.122 -1.018 -3.581 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -20.823 -2.596 -3.953 1.00 0.00 H new ATOM 1547 N GLY A 99 -18.854 -3.704 -5.653 1.00 0.00 N ATOM 1548 CA GLY A 99 -19.401 -3.652 -7.004 1.00 0.00 C ATOM 1549 C GLY A 99 -18.339 -3.832 -8.088 1.00 0.00 C ATOM 1550 O GLY A 99 -18.673 -3.976 -9.260 1.00 0.00 O ATOM 0 H GLY A 99 -18.759 -2.793 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -20.158 -4.428 -7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.902 -2.695 -7.150 1.00 0.00 H new ATOM 1554 N GLN A 100 -17.061 -3.767 -7.706 1.00 0.00 N ATOM 1555 CA GLN A 100 -15.917 -3.760 -8.591 1.00 0.00 C ATOM 1556 C GLN A 100 -14.662 -3.850 -7.726 1.00 0.00 C ATOM 1557 O GLN A 100 -14.756 -3.808 -6.492 1.00 0.00 O ATOM 1558 CB GLN A 100 -15.910 -2.510 -9.492 1.00 0.00 C ATOM 1559 CG GLN A 100 -15.808 -1.159 -8.768 1.00 0.00 C ATOM 1560 CD GLN A 100 -17.108 -0.699 -8.114 1.00 0.00 C ATOM 1561 OE1 GLN A 100 -17.302 -1.001 -6.834 1.00 0.00 O flip ATOM 1562 NE2 GLN A 100 -17.917 -0.029 -8.742 1.00 0.00 N flip ATOM 0 H GLN A 100 -16.794 -3.716 -6.723 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.958 -4.613 -9.268 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.074 -2.592 -10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -16.822 -2.512 -10.089 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.034 -1.227 -8.003 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.485 -0.401 -9.481 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.746 0.190 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.763 0.311 -8.284 1.00 0.00 H new ATOM 1571 N GLU A 101 -13.507 -3.942 -8.388 1.00 0.00 N ATOM 1572 CA GLU A 101 -12.214 -4.179 -7.784 1.00 0.00 C ATOM 1573 C GLU A 101 -11.119 -3.599 -8.682 1.00 0.00 C ATOM 1574 O GLU A 101 -11.361 -3.333 -9.862 1.00 0.00 O ATOM 1575 CB GLU A 101 -12.072 -5.687 -7.512 1.00 0.00 C ATOM 1576 CG GLU A 101 -12.292 -6.642 -8.695 1.00 0.00 C ATOM 1577 CD GLU A 101 -12.542 -8.061 -8.185 1.00 0.00 C ATOM 1578 OE1 GLU A 101 -11.554 -8.763 -7.882 1.00 0.00 O ATOM 1579 OE2 GLU A 101 -13.729 -8.414 -8.019 1.00 0.00 O ATOM 0 H GLU A 101 -13.456 -3.848 -9.402 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.114 -3.672 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.072 -5.865 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.778 -5.956 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.141 -6.306 -9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.420 -6.631 -9.349 1.00 0.00 H new ATOM 1586 N THR A 102 -9.947 -3.341 -8.104 1.00 0.00 N ATOM 1587 CA THR A 102 -8.741 -2.868 -8.760 1.00 0.00 C ATOM 1588 C THR A 102 -7.721 -4.011 -8.803 1.00 0.00 C ATOM 1589 O THR A 102 -7.318 -4.536 -7.767 1.00 0.00 O ATOM 1590 CB THR A 102 -8.187 -1.666 -7.973 1.00 0.00 C ATOM 1591 OG1 THR A 102 -8.467 -1.812 -6.598 1.00 0.00 O ATOM 1592 CG2 THR A 102 -8.851 -0.363 -8.408 1.00 0.00 C ATOM 0 H THR A 102 -9.812 -3.467 -7.101 1.00 0.00 H new ATOM 0 HA THR A 102 -8.954 -2.550 -9.781 1.00 0.00 H new ATOM 0 HB THR A 102 -7.115 -1.634 -8.166 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.300 -1.343 -6.382 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.437 0.466 -7.833 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.666 -0.197 -9.469 1.00 0.00 H new ATOM 0 HG23 THR A 102 -9.925 -0.426 -8.233 1.00 0.00 H new ATOM 1600 N SER A 103 -7.285 -4.394 -10.000 1.00 0.00 N ATOM 1601 CA SER A 103 -6.233 -5.369 -10.219 1.00 0.00 C ATOM 1602 C SER A 103 -4.911 -4.618 -10.401 1.00 0.00 C ATOM 1603 O SER A 103 -4.625 -4.100 -11.484 1.00 0.00 O ATOM 1604 CB SER A 103 -6.611 -6.240 -11.425 1.00 0.00 C ATOM 1605 OG SER A 103 -7.520 -5.573 -12.283 1.00 0.00 O ATOM 0 H SER A 103 -7.669 -4.020 -10.868 1.00 0.00 H new ATOM 0 HA SER A 103 -6.111 -6.040 -9.369 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.711 -6.504 -11.981 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.055 -7.172 -11.077 1.00 0.00 H new ATOM 0 HG SER A 103 -7.033 -5.196 -13.045 1.00 0.00 H new ATOM 1611 N LEU A 104 -4.108 -4.541 -9.337 1.00 0.00 N ATOM 1612 CA LEU A 104 -2.766 -3.981 -9.390 1.00 0.00 C ATOM 1613 C LEU A 104 -1.764 -5.123 -9.525 1.00 0.00 C ATOM 1614 O LEU A 104 -1.981 -6.190 -8.957 1.00 0.00 O ATOM 1615 CB LEU A 104 -2.461 -3.150 -8.135 1.00 0.00 C ATOM 1616 CG LEU A 104 -3.392 -1.941 -7.949 1.00 0.00 C ATOM 1617 CD1 LEU A 104 -4.536 -2.259 -6.978 1.00 0.00 C ATOM 1618 CD2 LEU A 104 -2.597 -0.757 -7.385 1.00 0.00 C ATOM 0 H LEU A 104 -4.378 -4.870 -8.410 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.691 -3.315 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.536 -3.793 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.430 -2.799 -8.185 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.811 -1.695 -8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.175 -1.383 -6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.123 -3.091 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.124 -2.530 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.261 0.098 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.167 -1.033 -6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.797 -0.493 -8.077 1.00 0.00 H new ATOM 1630 N VAL A 105 -0.659 -4.900 -10.237 1.00 0.00 N ATOM 1631 CA VAL A 105 0.469 -5.823 -10.286 1.00 0.00 C ATOM 1632 C VAL A 105 1.741 -5.067 -9.908 1.00 0.00 C ATOM 1633 O VAL A 105 1.838 -3.877 -10.202 1.00 0.00 O ATOM 1634 CB VAL A 105 0.583 -6.488 -11.669 1.00 0.00 C ATOM 1635 CG1 VAL A 105 -0.578 -7.461 -11.899 1.00 0.00 C ATOM 1636 CG2 VAL A 105 0.610 -5.474 -12.819 1.00 0.00 C ATOM 0 H VAL A 105 -0.523 -4.062 -10.802 1.00 0.00 H new ATOM 0 HA VAL A 105 0.314 -6.630 -9.570 1.00 0.00 H new ATOM 0 HB VAL A 105 1.533 -7.023 -11.667 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.478 -7.920 -12.882 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.560 -8.236 -11.133 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.523 -6.920 -11.845 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.691 -6.003 -13.769 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.308 -4.887 -12.808 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.466 -4.810 -12.699 1.00 0.00 H new ATOM 1646 N ARG A 106 2.689 -5.740 -9.245 1.00 0.00 N ATOM 1647 CA ARG A 106 4.009 -5.225 -8.898 1.00 0.00 C ATOM 1648 C ARG A 106 5.040 -6.313 -9.194 1.00 0.00 C ATOM 1649 O ARG A 106 4.779 -7.479 -8.899 1.00 0.00 O ATOM 1650 CB ARG A 106 4.082 -4.890 -7.400 1.00 0.00 C ATOM 1651 CG ARG A 106 3.385 -3.572 -7.043 1.00 0.00 C ATOM 1652 CD ARG A 106 3.511 -3.297 -5.534 1.00 0.00 C ATOM 1653 NE ARG A 106 3.617 -1.859 -5.221 1.00 0.00 N ATOM 1654 CZ ARG A 106 2.625 -0.957 -5.292 1.00 0.00 C ATOM 1655 NH1 ARG A 106 1.428 -1.326 -5.757 1.00 0.00 N ATOM 1656 NH2 ARG A 106 2.837 0.306 -4.902 1.00 0.00 N ATOM 0 H ARG A 106 2.546 -6.698 -8.925 1.00 0.00 H new ATOM 0 HA ARG A 106 4.204 -4.322 -9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.627 -5.700 -6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.128 -4.835 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.829 -2.752 -7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 106 2.333 -3.620 -7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.644 -3.713 -5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.389 -3.814 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 106 4.531 -1.518 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.272 -2.289 -6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.671 -0.645 -5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.753 0.584 -4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.082 0.990 -4.957 1.00 0.00 H new ATOM 1670 N GLU A 107 6.210 -5.937 -9.722 1.00 0.00 N ATOM 1671 CA GLU A 107 7.387 -6.799 -9.745 1.00 0.00 C ATOM 1672 C GLU A 107 8.624 -5.960 -10.037 1.00 0.00 C ATOM 1673 O GLU A 107 8.496 -4.931 -10.695 1.00 0.00 O ATOM 1674 CB GLU A 107 7.213 -7.881 -10.819 1.00 0.00 C ATOM 1675 CG GLU A 107 8.328 -8.929 -10.841 1.00 0.00 C ATOM 1676 CD GLU A 107 8.532 -9.519 -9.458 1.00 0.00 C ATOM 1677 OE1 GLU A 107 7.777 -10.450 -9.108 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.389 -8.948 -8.751 1.00 0.00 O ATOM 0 H GLU A 107 6.363 -5.022 -10.146 1.00 0.00 H new ATOM 0 HA GLU A 107 7.506 -7.282 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.260 -8.385 -10.660 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.161 -7.402 -11.797 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.077 -9.721 -11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.255 -8.474 -11.189 1.00 0.00 H new ATOM 1685 N MET A 108 9.807 -6.390 -9.586 1.00 0.00 N ATOM 1686 CA MET A 108 11.066 -5.804 -10.019 1.00 0.00 C ATOM 1687 C MET A 108 11.839 -6.808 -10.862 1.00 0.00 C ATOM 1688 O MET A 108 12.316 -7.822 -10.357 1.00 0.00 O ATOM 1689 CB MET A 108 11.895 -5.254 -8.847 1.00 0.00 C ATOM 1690 CG MET A 108 13.325 -4.858 -9.251 1.00 0.00 C ATOM 1691 SD MET A 108 14.538 -6.215 -9.227 1.00 0.00 S ATOM 1692 CE MET A 108 15.966 -5.350 -9.913 1.00 0.00 C ATOM 0 H MET A 108 9.912 -7.150 -8.914 1.00 0.00 H new ATOM 0 HA MET A 108 10.843 -4.937 -10.641 1.00 0.00 H new ATOM 0 HB2 MET A 108 11.388 -4.384 -8.428 1.00 0.00 H new ATOM 0 HB3 MET A 108 11.942 -6.006 -8.059 1.00 0.00 H new ATOM 0 HG2 MET A 108 13.298 -4.433 -10.254 1.00 0.00 H new ATOM 0 HG3 MET A 108 13.670 -4.071 -8.581 1.00 0.00 H new ATOM 0 HE1 MET A 108 16.773 -6.062 -10.088 1.00 0.00 H new ATOM 0 HE2 MET A 108 15.687 -4.878 -10.855 1.00 0.00 H new ATOM 0 HE3 MET A 108 16.301 -4.587 -9.210 1.00 0.00 H new ATOM 1702 N VAL A 109 12.084 -6.431 -12.113 1.00 0.00 N ATOM 1703 CA VAL A 109 13.139 -6.977 -12.950 1.00 0.00 C ATOM 1704 C VAL A 109 13.972 -5.780 -13.408 1.00 0.00 C ATOM 1705 O VAL A 109 13.734 -4.667 -12.929 1.00 0.00 O ATOM 1706 CB VAL A 109 12.542 -7.812 -14.098 1.00 0.00 C ATOM 1707 CG1 VAL A 109 11.828 -9.050 -13.540 1.00 0.00 C ATOM 1708 CG2 VAL A 109 11.568 -7.004 -14.964 1.00 0.00 C ATOM 0 H VAL A 109 11.534 -5.713 -12.585 1.00 0.00 H new ATOM 0 HA VAL A 109 13.784 -7.676 -12.418 1.00 0.00 H new ATOM 0 HB VAL A 109 13.373 -8.118 -14.733 1.00 0.00 H new ATOM 0 HG11 VAL A 109 11.411 -9.631 -14.362 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.540 -9.663 -12.988 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.025 -8.737 -12.873 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.175 -7.638 -15.759 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.745 -6.644 -14.347 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.091 -6.154 -15.403 1.00 0.00 H new ATOM 1718 N ASP A 110 14.949 -6.005 -14.291 1.00 0.00 N ATOM 1719 CA ASP A 110 15.828 -4.956 -14.791 1.00 0.00 C ATOM 1720 C ASP A 110 16.446 -4.208 -13.598 1.00 0.00 C ATOM 1721 O ASP A 110 17.254 -4.792 -12.876 1.00 0.00 O ATOM 1722 CB ASP A 110 15.041 -4.094 -15.793 1.00 0.00 C ATOM 1723 CG ASP A 110 15.808 -2.862 -16.236 1.00 0.00 C ATOM 1724 OD1 ASP A 110 16.708 -3.015 -17.085 1.00 0.00 O ATOM 1725 OD2 ASP A 110 15.486 -1.798 -15.660 1.00 0.00 O ATOM 0 H ASP A 110 15.150 -6.927 -14.678 1.00 0.00 H new ATOM 0 HA ASP A 110 16.679 -5.346 -15.349 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.793 -4.696 -16.667 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.099 -3.787 -15.340 1.00 0.00 H new ATOM 1730 N GLY A 111 16.015 -2.977 -13.326 1.00 0.00 N ATOM 1731 CA GLY A 111 16.397 -2.199 -12.163 1.00 0.00 C ATOM 1732 C GLY A 111 15.248 -1.295 -11.722 1.00 0.00 C ATOM 1733 O GLY A 111 15.495 -0.233 -11.155 1.00 0.00 O ATOM 0 H GLY A 111 15.366 -2.481 -13.937 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.676 -2.866 -11.348 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.274 -1.595 -12.395 1.00 0.00 H new ATOM 1737 N LYS A 112 13.995 -1.705 -11.959 1.00 0.00 N ATOM 1738 CA LYS A 112 12.822 -0.924 -11.588 1.00 0.00 C ATOM 1739 C LYS A 112 11.706 -1.853 -11.126 1.00 0.00 C ATOM 1740 O LYS A 112 11.548 -2.950 -11.656 1.00 0.00 O ATOM 1741 CB LYS A 112 12.347 -0.045 -12.758 1.00 0.00 C ATOM 1742 CG LYS A 112 13.208 1.218 -12.892 1.00 0.00 C ATOM 1743 CD LYS A 112 12.613 2.214 -13.902 1.00 0.00 C ATOM 1744 CE LYS A 112 13.161 3.615 -13.591 1.00 0.00 C ATOM 1745 NZ LYS A 112 12.628 4.685 -14.462 1.00 0.00 N ATOM 0 H LYS A 112 13.773 -2.590 -12.415 1.00 0.00 H new ATOM 0 HA LYS A 112 13.095 -0.261 -10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.389 -0.616 -13.685 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.305 0.237 -12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.300 1.700 -11.918 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.214 0.940 -13.206 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.875 1.923 -14.919 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.525 2.211 -13.840 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.932 3.860 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.247 3.596 -13.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.953 5.610 -14.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.967 4.542 -15.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.588 4.656 -14.450 1.00 0.00 H new ATOM 1759 N LEU A 113 10.945 -1.395 -10.131 1.00 0.00 N ATOM 1760 CA LEU A 113 9.724 -2.018 -9.656 1.00 0.00 C ATOM 1761 C LEU A 113 8.630 -1.583 -10.627 1.00 0.00 C ATOM 1762 O LEU A 113 8.045 -0.506 -10.493 1.00 0.00 O ATOM 1763 CB LEU A 113 9.489 -1.568 -8.209 1.00 0.00 C ATOM 1764 CG LEU A 113 8.382 -2.246 -7.381 1.00 0.00 C ATOM 1765 CD1 LEU A 113 7.009 -2.282 -8.051 1.00 0.00 C ATOM 1766 CD2 LEU A 113 8.783 -3.663 -6.965 1.00 0.00 C ATOM 0 H LEU A 113 11.178 -0.545 -9.618 1.00 0.00 H new ATOM 0 HA LEU A 113 9.755 -3.107 -9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.427 -1.696 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.276 -0.499 -8.228 1.00 0.00 H new ATOM 0 HG LEU A 113 8.279 -1.610 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.296 -2.778 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.674 -1.264 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.077 -2.830 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.979 -4.112 -6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.966 -4.265 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.690 -3.622 -6.361 1.00 0.00 H new ATOM 1778 N ILE A 114 8.398 -2.423 -11.632 1.00 0.00 N ATOM 1779 CA ILE A 114 7.359 -2.258 -12.626 1.00 0.00 C ATOM 1780 C ILE A 114 6.020 -2.496 -11.933 1.00 0.00 C ATOM 1781 O ILE A 114 5.846 -3.496 -11.233 1.00 0.00 O ATOM 1782 CB ILE A 114 7.600 -3.217 -13.810 1.00 0.00 C ATOM 1783 CG1 ILE A 114 8.984 -2.940 -14.431 1.00 0.00 C ATOM 1784 CG2 ILE A 114 6.491 -3.056 -14.862 1.00 0.00 C ATOM 1785 CD1 ILE A 114 9.331 -3.881 -15.588 1.00 0.00 C ATOM 0 H ILE A 114 8.953 -3.267 -11.776 1.00 0.00 H new ATOM 0 HA ILE A 114 7.363 -1.253 -13.047 1.00 0.00 H new ATOM 0 HB ILE A 114 7.578 -4.245 -13.447 1.00 0.00 H new ATOM 0 HG12 ILE A 114 9.014 -1.911 -14.788 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.746 -3.031 -13.657 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.674 -3.739 -15.691 1.00 0.00 H new ATOM 0 HG22 ILE A 114 5.525 -3.284 -14.411 1.00 0.00 H new ATOM 0 HG23 ILE A 114 6.486 -2.030 -15.231 1.00 0.00 H new ATOM 0 HD11 ILE A 114 10.318 -3.630 -15.978 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.333 -4.911 -15.231 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.590 -3.773 -16.380 1.00 0.00 H new ATOM 1797 N LEU A 115 5.082 -1.564 -12.115 1.00 0.00 N ATOM 1798 CA LEU A 115 3.759 -1.609 -11.527 1.00 0.00 C ATOM 1799 C LEU A 115 2.760 -1.210 -12.611 1.00 0.00 C ATOM 1800 O LEU A 115 3.050 -0.406 -13.497 1.00 0.00 O ATOM 1801 CB LEU A 115 3.761 -0.721 -10.266 1.00 0.00 C ATOM 1802 CG LEU A 115 2.447 -0.049 -9.824 1.00 0.00 C ATOM 1803 CD1 LEU A 115 1.366 -1.013 -9.326 1.00 0.00 C ATOM 1804 CD2 LEU A 115 2.789 0.893 -8.664 1.00 0.00 C ATOM 0 H LEU A 115 5.235 -0.738 -12.693 1.00 0.00 H new ATOM 0 HA LEU A 115 3.461 -2.601 -11.186 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.115 -1.331 -9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.498 0.067 -10.420 1.00 0.00 H new ATOM 0 HG LEU A 115 2.038 0.450 -10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.480 -0.448 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.108 -1.712 -10.121 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.740 -1.566 -8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.882 1.391 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.221 0.319 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.507 1.640 -9.002 1.00 0.00 H new ATOM 1816 N THR A 116 1.581 -1.821 -12.607 1.00 0.00 N ATOM 1817 CA THR A 116 0.491 -1.440 -13.488 1.00 0.00 C ATOM 1818 C THR A 116 -0.787 -1.648 -12.691 1.00 0.00 C ATOM 1819 O THR A 116 -0.849 -2.559 -11.863 1.00 0.00 O ATOM 1820 CB THR A 116 0.552 -2.242 -14.798 1.00 0.00 C ATOM 1821 OG1 THR A 116 1.786 -1.997 -15.448 1.00 0.00 O ATOM 1822 CG2 THR A 116 -0.576 -1.871 -15.768 1.00 0.00 C ATOM 0 H THR A 116 1.356 -2.599 -11.987 1.00 0.00 H new ATOM 0 HA THR A 116 0.548 -0.398 -13.803 1.00 0.00 H new ATOM 0 HB THR A 116 0.444 -3.293 -14.529 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.824 -2.510 -16.282 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.485 -2.467 -16.676 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.540 -2.069 -15.299 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.506 -0.813 -16.020 1.00 0.00 H new ATOM 1830 N LEU A 117 -1.759 -0.754 -12.878 1.00 0.00 N ATOM 1831 CA LEU A 117 -2.969 -0.703 -12.081 1.00 0.00 C ATOM 1832 C LEU A 117 -4.164 -0.651 -13.031 1.00 0.00 C ATOM 1833 O LEU A 117 -4.309 0.295 -13.809 1.00 0.00 O ATOM 1834 CB LEU A 117 -2.897 0.444 -11.060 1.00 0.00 C ATOM 1835 CG LEU A 117 -2.439 1.795 -11.629 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -3.227 2.926 -10.968 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -0.934 2.036 -11.436 1.00 0.00 C ATOM 0 H LEU A 117 -1.720 -0.036 -13.602 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.088 -1.598 -11.471 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.882 0.572 -10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.216 0.155 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.631 1.775 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.900 3.883 -11.374 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.291 2.793 -11.166 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.054 2.910 -9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.664 3.005 -11.856 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.697 2.023 -10.372 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.372 1.251 -11.943 1.00 0.00 H new ATOM 1849 N THR A 118 -4.966 -1.718 -13.016 1.00 0.00 N ATOM 1850 CA THR A 118 -6.056 -1.934 -13.947 1.00 0.00 C ATOM 1851 C THR A 118 -7.367 -1.983 -13.168 1.00 0.00 C ATOM 1852 O THR A 118 -7.487 -2.701 -12.177 1.00 0.00 O ATOM 1853 CB THR A 118 -5.805 -3.219 -14.751 1.00 0.00 C ATOM 1854 OG1 THR A 118 -5.733 -4.346 -13.915 1.00 0.00 O ATOM 1855 CG2 THR A 118 -4.469 -3.167 -15.487 1.00 0.00 C ATOM 0 H THR A 118 -4.866 -2.471 -12.335 1.00 0.00 H new ATOM 0 HA THR A 118 -6.120 -1.115 -14.664 1.00 0.00 H new ATOM 0 HB THR A 118 -6.640 -3.294 -15.447 1.00 0.00 H new ATOM 0 HG1 THR A 118 -5.058 -4.195 -13.220 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.325 -4.092 -16.045 1.00 0.00 H new ATOM 0 HG22 THR A 118 -4.466 -2.323 -16.177 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.661 -3.049 -14.766 1.00 0.00 H new ATOM 1863 N HIS A 119 -8.345 -1.196 -13.608 1.00 0.00 N ATOM 1864 CA HIS A 119 -9.701 -1.185 -13.101 1.00 0.00 C ATOM 1865 C HIS A 119 -10.629 -1.406 -14.291 1.00 0.00 C ATOM 1866 O HIS A 119 -10.197 -1.300 -15.437 1.00 0.00 O ATOM 1867 CB HIS A 119 -9.945 0.188 -12.466 1.00 0.00 C ATOM 1868 CG HIS A 119 -11.322 0.391 -11.891 1.00 0.00 C ATOM 1869 ND1 HIS A 119 -12.368 1.063 -12.500 1.00 0.00 N ATOM 1870 CD2 HIS A 119 -11.758 -0.086 -10.689 1.00 0.00 C ATOM 1871 CE1 HIS A 119 -13.416 1.023 -11.656 1.00 0.00 C ATOM 1872 NE2 HIS A 119 -13.063 0.337 -10.549 1.00 0.00 N ATOM 0 H HIS A 119 -8.201 -0.522 -14.360 1.00 0.00 H new ATOM 0 HA HIS A 119 -9.877 -1.960 -12.355 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -9.212 0.340 -11.674 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.766 0.956 -13.218 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -12.348 1.506 -13.418 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.192 -0.679 -9.985 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.383 1.468 -11.836 1.00 0.00 H new ATOM 1881 N GLY A 120 -11.917 -1.638 -14.023 1.00 0.00 N ATOM 1882 CA GLY A 120 -12.953 -1.482 -15.030 1.00 0.00 C ATOM 1883 C GLY A 120 -12.717 -0.184 -15.809 1.00 0.00 C ATOM 1884 O GLY A 120 -12.680 0.893 -15.205 1.00 0.00 O ATOM 0 H GLY A 120 -12.262 -1.936 -13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.945 -2.334 -15.710 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.935 -1.461 -14.557 1.00 0.00 H new ATOM 1888 N THR A 121 -12.496 -0.312 -17.120 1.00 0.00 N ATOM 1889 CA THR A 121 -12.168 0.741 -18.074 1.00 0.00 C ATOM 1890 C THR A 121 -10.775 1.354 -17.848 1.00 0.00 C ATOM 1891 O THR A 121 -9.937 1.335 -18.747 1.00 0.00 O ATOM 1892 CB THR A 121 -13.335 1.743 -18.251 1.00 0.00 C ATOM 1893 OG1 THR A 121 -13.521 1.977 -19.635 1.00 0.00 O ATOM 1894 CG2 THR A 121 -13.177 3.098 -17.546 1.00 0.00 C ATOM 0 H THR A 121 -12.546 -1.225 -17.572 1.00 0.00 H new ATOM 0 HA THR A 121 -12.063 0.279 -19.056 1.00 0.00 H new ATOM 0 HB THR A 121 -14.193 1.269 -17.773 1.00 0.00 H new ATOM 0 HG1 THR A 121 -14.259 2.609 -19.764 1.00 0.00 H new ATOM 0 HG21 THR A 121 -14.054 3.714 -17.742 1.00 0.00 H new ATOM 0 HG22 THR A 121 -13.077 2.940 -16.472 1.00 0.00 H new ATOM 0 HG23 THR A 121 -12.288 3.603 -17.923 1.00 0.00 H new ATOM 1902 N ALA A 122 -10.513 1.906 -16.661 1.00 0.00 N ATOM 1903 CA ALA A 122 -9.308 2.684 -16.414 1.00 0.00 C ATOM 1904 C ALA A 122 -8.083 1.774 -16.243 1.00 0.00 C ATOM 1905 O ALA A 122 -7.969 1.062 -15.246 1.00 0.00 O ATOM 1906 CB ALA A 122 -9.525 3.598 -15.204 1.00 0.00 C ATOM 0 H ALA A 122 -11.129 1.824 -15.852 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.104 3.313 -17.281 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -8.622 4.180 -15.021 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.357 4.273 -15.403 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.751 2.992 -14.326 1.00 0.00 H new ATOM 1912 N VAL A 123 -7.150 1.828 -17.198 1.00 0.00 N ATOM 1913 CA VAL A 123 -5.857 1.147 -17.181 1.00 0.00 C ATOM 1914 C VAL A 123 -4.798 2.228 -16.976 1.00 0.00 C ATOM 1915 O VAL A 123 -4.832 3.243 -17.668 1.00 0.00 O ATOM 1916 CB VAL A 123 -5.668 0.411 -18.520 1.00 0.00 C ATOM 1917 CG1 VAL A 123 -4.297 -0.267 -18.665 1.00 0.00 C ATOM 1918 CG2 VAL A 123 -6.774 -0.641 -18.683 1.00 0.00 C ATOM 0 H VAL A 123 -7.286 2.377 -18.047 1.00 0.00 H new ATOM 0 HA VAL A 123 -5.784 0.406 -16.385 1.00 0.00 H new ATOM 0 HB VAL A 123 -5.725 1.169 -19.302 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -4.238 -0.765 -19.633 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.510 0.484 -18.595 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.169 -1.002 -17.871 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -6.642 -1.164 -19.630 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -6.719 -1.357 -17.863 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -7.747 -0.150 -18.671 1.00 0.00 H new ATOM 1928 N CYS A 124 -3.925 2.112 -15.966 1.00 0.00 N ATOM 1929 CA CYS A 124 -2.961 3.167 -15.651 1.00 0.00 C ATOM 1930 C CYS A 124 -1.642 2.554 -15.165 1.00 0.00 C ATOM 1931 O CYS A 124 -1.592 1.357 -14.874 1.00 0.00 O ATOM 1932 CB CYS A 124 -3.547 4.131 -14.610 1.00 0.00 C ATOM 1933 SG CYS A 124 -5.308 4.489 -14.885 1.00 0.00 S ATOM 0 H CYS A 124 -3.869 1.297 -15.355 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.752 3.738 -16.555 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.420 3.704 -13.615 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -2.985 5.065 -14.630 1.00 0.00 H new ATOM 0 HG CYS A 124 -5.455 5.748 -15.174 1.00 0.00 H new ATOM 1939 N THR A 125 -0.575 3.360 -15.081 1.00 0.00 N ATOM 1940 CA THR A 125 0.778 2.864 -14.839 1.00 0.00 C ATOM 1941 C THR A 125 1.510 3.729 -13.812 1.00 0.00 C ATOM 1942 O THR A 125 1.357 4.952 -13.813 1.00 0.00 O ATOM 1943 CB THR A 125 1.550 2.855 -16.167 1.00 0.00 C ATOM 1944 OG1 THR A 125 1.337 4.073 -16.849 1.00 0.00 O ATOM 1945 CG2 THR A 125 1.096 1.717 -17.083 1.00 0.00 C ATOM 0 H THR A 125 -0.630 4.374 -15.180 1.00 0.00 H new ATOM 0 HA THR A 125 0.716 1.853 -14.436 1.00 0.00 H new ATOM 0 HB THR A 125 2.604 2.717 -15.926 1.00 0.00 H new ATOM 0 HG1 THR A 125 1.832 4.065 -17.695 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.667 1.747 -18.011 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.262 0.761 -16.586 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.035 1.831 -17.306 1.00 0.00 H new ATOM 1953 N ARG A 126 2.341 3.091 -12.980 1.00 0.00 N ATOM 1954 CA ARG A 126 3.337 3.711 -12.115 1.00 0.00 C ATOM 1955 C ARG A 126 4.583 2.833 -12.219 1.00 0.00 C ATOM 1956 O ARG A 126 4.449 1.632 -12.425 1.00 0.00 O ATOM 1957 CB ARG A 126 2.858 3.728 -10.655 1.00 0.00 C ATOM 1958 CG ARG A 126 2.019 4.951 -10.274 1.00 0.00 C ATOM 1959 CD ARG A 126 1.726 4.941 -8.766 1.00 0.00 C ATOM 1960 NE ARG A 126 1.109 6.208 -8.340 1.00 0.00 N ATOM 1961 CZ ARG A 126 1.234 6.818 -7.146 1.00 0.00 C ATOM 1962 NH1 ARG A 126 2.008 6.307 -6.176 1.00 0.00 N ATOM 1963 NH2 ARG A 126 0.564 7.958 -6.935 1.00 0.00 N ATOM 0 H ARG A 126 2.332 2.075 -12.891 1.00 0.00 H new ATOM 0 HA ARG A 126 3.524 4.742 -12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.271 2.829 -10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.728 3.682 -10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 126 2.550 5.864 -10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 126 1.084 4.949 -10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.062 4.110 -8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 126 2.651 4.779 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 126 0.520 6.677 -9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.518 5.438 -6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 126 2.087 6.788 -5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.026 8.347 -7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.643 8.438 -6.038 1.00 0.00 H new ATOM 1977 N THR A 127 5.780 3.391 -12.047 1.00 0.00 N ATOM 1978 CA THR A 127 6.983 2.595 -11.869 1.00 0.00 C ATOM 1979 C THR A 127 7.756 3.178 -10.688 1.00 0.00 C ATOM 1980 O THR A 127 7.794 4.402 -10.505 1.00 0.00 O ATOM 1981 CB THR A 127 7.779 2.501 -13.185 1.00 0.00 C ATOM 1982 OG1 THR A 127 8.211 1.178 -13.409 1.00 0.00 O ATOM 1983 CG2 THR A 127 9.017 3.386 -13.226 1.00 0.00 C ATOM 0 H THR A 127 5.938 4.398 -12.028 1.00 0.00 H new ATOM 0 HA THR A 127 6.750 1.558 -11.626 1.00 0.00 H new ATOM 0 HB THR A 127 7.085 2.842 -13.954 1.00 0.00 H new ATOM 0 HG1 THR A 127 8.713 1.136 -14.249 1.00 0.00 H new ATOM 0 HG21 THR A 127 9.521 3.262 -14.184 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.723 4.428 -13.102 1.00 0.00 H new ATOM 0 HG23 THR A 127 9.694 3.102 -12.420 1.00 0.00 H new ATOM 1991 N TYR A 128 8.312 2.287 -9.866 1.00 0.00 N ATOM 1992 CA TYR A 128 9.035 2.623 -8.653 1.00 0.00 C ATOM 1993 C TYR A 128 10.497 2.201 -8.795 1.00 0.00 C ATOM 1994 O TYR A 128 10.827 1.330 -9.599 1.00 0.00 O ATOM 1995 CB TYR A 128 8.356 1.956 -7.450 1.00 0.00 C ATOM 1996 CG TYR A 128 7.210 2.739 -6.850 1.00 0.00 C ATOM 1997 CD1 TYR A 128 5.932 2.670 -7.432 1.00 0.00 C ATOM 1998 CD2 TYR A 128 7.391 3.439 -5.645 1.00 0.00 C ATOM 1999 CE1 TYR A 128 4.830 3.243 -6.776 1.00 0.00 C ATOM 2000 CE2 TYR A 128 6.304 4.080 -5.033 1.00 0.00 C ATOM 2001 CZ TYR A 128 5.015 3.936 -5.570 1.00 0.00 C ATOM 2002 OH TYR A 128 3.925 4.354 -4.866 1.00 0.00 O ATOM 0 H TYR A 128 8.266 1.283 -10.037 1.00 0.00 H new ATOM 0 HA TYR A 128 9.017 3.700 -8.488 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.987 0.977 -7.756 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.105 1.786 -6.677 1.00 0.00 H new ATOM 0 HD1 TYR A 128 5.798 2.177 -8.383 1.00 0.00 H new ATOM 0 HD2 TYR A 128 8.369 3.483 -5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 128 3.841 3.150 -7.200 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.458 4.683 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 128 4.052 4.151 -3.916 1.00 0.00 H new ATOM 2012 N GLU A 129 11.373 2.842 -8.023 1.00 0.00 N ATOM 2013 CA GLU A 129 12.816 2.770 -8.180 1.00 0.00 C ATOM 2014 C GLU A 129 13.447 2.628 -6.792 1.00 0.00 C ATOM 2015 O GLU A 129 13.110 3.389 -5.878 1.00 0.00 O ATOM 2016 CB GLU A 129 13.241 4.047 -8.912 1.00 0.00 C ATOM 2017 CG GLU A 129 14.663 4.046 -9.471 1.00 0.00 C ATOM 2018 CD GLU A 129 14.862 5.306 -10.305 1.00 0.00 C ATOM 2019 OE1 GLU A 129 15.119 6.356 -9.679 1.00 0.00 O ATOM 2020 OE2 GLU A 129 14.679 5.209 -11.540 1.00 0.00 O ATOM 0 H GLU A 129 11.085 3.442 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 129 13.146 1.911 -8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.547 4.221 -9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 129 13.140 4.888 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 129 15.388 4.013 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 129 14.828 3.159 -10.082 1.00 0.00 H new ATOM 2027 N LYS A 130 14.302 1.611 -6.620 1.00 0.00 N ATOM 2028 CA LYS A 130 14.886 1.239 -5.336 1.00 0.00 C ATOM 2029 C LYS A 130 15.771 2.383 -4.843 1.00 0.00 C ATOM 2030 O LYS A 130 16.752 2.728 -5.494 1.00 0.00 O ATOM 2031 CB LYS A 130 15.703 -0.063 -5.478 1.00 0.00 C ATOM 2032 CG LYS A 130 16.200 -0.623 -4.129 1.00 0.00 C ATOM 2033 CD LYS A 130 15.349 -1.782 -3.580 1.00 0.00 C ATOM 2034 CE LYS A 130 15.714 -3.140 -4.213 1.00 0.00 C ATOM 2035 NZ LYS A 130 14.911 -4.248 -3.648 1.00 0.00 N ATOM 0 H LYS A 130 14.610 1.015 -7.389 1.00 0.00 H new ATOM 0 HA LYS A 130 14.094 1.060 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 130 15.090 -0.816 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 130 16.561 0.123 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 130 17.228 -0.965 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 130 16.214 0.183 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 130 15.479 -1.843 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 130 14.295 -1.572 -3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 130 15.558 -3.092 -5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 130 16.773 -3.342 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.234 -5.151 -4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 15.026 -4.269 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 13.908 -4.104 -3.881 1.00 0.00 H new ATOM 2049 N GLN A 131 15.445 2.945 -3.679 1.00 0.00 N ATOM 2050 CA GLN A 131 16.287 3.925 -3.014 1.00 0.00 C ATOM 2051 C GLN A 131 17.379 3.190 -2.242 1.00 0.00 C ATOM 2052 O GLN A 131 18.560 3.493 -2.387 1.00 0.00 O ATOM 2053 CB GLN A 131 15.437 4.806 -2.090 1.00 0.00 C ATOM 2054 CG GLN A 131 14.238 5.425 -2.822 1.00 0.00 C ATOM 2055 CD GLN A 131 14.670 6.265 -4.020 1.00 0.00 C ATOM 2056 OE1 GLN A 131 15.111 7.400 -3.845 1.00 0.00 O ATOM 2057 NE2 GLN A 131 14.519 5.750 -5.234 1.00 0.00 N ATOM 0 H GLN A 131 14.586 2.729 -3.174 1.00 0.00 H new ATOM 0 HA GLN A 131 16.758 4.580 -3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.080 4.210 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 131 16.058 5.601 -1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 131 13.570 4.632 -3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.672 6.047 -2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.151 4.805 -5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 131 14.772 6.299 -6.056 1.00 0.00 H new ATOM 2066 N ALA A 132 16.980 2.208 -1.427 1.00 0.00 N ATOM 2067 CA ALA A 132 17.893 1.362 -0.670 1.00 0.00 C ATOM 2068 C ALA A 132 17.129 0.154 -0.139 1.00 0.00 C ATOM 2069 O ALA A 132 15.907 0.095 -0.271 1.00 0.00 O ATOM 2070 CB ALA A 132 18.531 2.145 0.483 1.00 0.00 C ATOM 2071 OXT ALA A 132 17.806 -0.871 0.488 1.00 0.00 O ATOM 0 H ALA A 132 15.997 1.979 -1.276 1.00 0.00 H new ATOM 0 HA ALA A 132 18.696 1.024 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 132 19.209 1.493 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 132 19.088 2.993 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 132 17.751 2.507 1.153 1.00 0.00 H new