USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 926 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 119 SER OG : rot 180:sc= 0.0168 USER MOD Set 1.2: A 120 CYS SG : rot -170:sc= -0.225 USER MOD Set 2.1: A 104 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 108 ASN :FLIP amide:sc= 0.305 F(o=-0.038,f=0.58) USER MOD Set 2.3: A 109 HIS : no HD1:sc= 0.273 K(o=0.58,f=-0.038) USER MOD Set 3.1: A 72 CYS SG : rot 85:sc= 0.933 USER MOD Set 3.2: A 90 CYS SG : rot 23:sc= -1.25! USER MOD Set 4.1: A 85 THR OG1 : rot -150:sc= 0.646 USER MOD Set 4.2: A 89 LYS NZ :NH3+ 167:sc= 0.724 (180deg=-0.0129) USER MOD Set 5.1: A 81 THR OG1 : rot -86:sc= 1.49 USER MOD Set 5.2: A 86 LYS NZ :NH3+ -174:sc= 1.81 (180deg=1.03) USER MOD Set 6.1: A 63 SER OG : rot 180:sc= 0.298 USER MOD Set 6.2: A 70 LYS NZ :NH3+ -174:sc= 1.44 (180deg=1.1) USER MOD Set 7.1: A 62 CYS SG : rot 180:sc= 0.989 USER MOD Set 7.2: A 76 CYS SG : rot -55:sc= 0.28 USER MOD Set 8.1: A 44 ASN : amide:sc= 1.04 K(o=2.9,f=1.6) USER MOD Set 8.2: A 48 SER OG : rot -170:sc= 0.685 USER MOD Set 8.3: A 57 ASN : amide:sc= 1.18 K(o=2.9,f=-1.9!) USER MOD Set 9.1: A 43 THR OG1 : rot 180:sc= 0.554 USER MOD Set 9.2: A 49 LYS NZ :NH3+ 156:sc= 0.614 (180deg=0) USER MOD Set10.1: A 42 ASN : amide:sc= 0.935 K(o=2.9,f=1.1) USER MOD Set10.2: A 55 GLN : amide:sc= 1.92 K(o=2.9,f=-0.4) USER MOD Set11.1: A 28 CYS SG : rot -70:sc= 0.504 USER MOD Set11.2: A 32 HIS : no HD1:sc= 0 X(o=0.045,f=0.11) USER MOD Set11.3: A 110 CYS SG : rot -26:sc= -0.458 USER MOD Set12.1: A 1 GLY N :NH3+ -167:sc= 0.268 (180deg=0.0732) USER MOD Set12.2: A 39 SER OG : rot 180:sc= 0.221 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -43:sc= 0.0672 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.05 K(o=1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 1.1 (180deg=1.08) USER MOD Single : A 16 HIS : no HD1:sc= -0.0502 K(o=-0.05,f=-1.4) USER MOD Single : A 21 ASN : amide:sc= 0.0145 K(o=0.014,f=-2.2!) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.136 (180deg=-3.57!) USER MOD Single : A 25 ASN : amide:sc= 0.178 K(o=0.18,f=-1.3) USER MOD Single : A 34 SER OG : rot -122:sc= 1.19 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 162:sc= 0.693 USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0.857 (180deg=0.827) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= 0.33 (180deg=0.0265) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 0.862 (180deg=0.832) USER MOD Single : A 93 LYS NZ :NH3+ 179:sc= 0.687 (180deg=0.687) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=-0.052) USER MOD Single : A 107 LYS NZ :NH3+ -165:sc= 0.885 (180deg=0.744) USER MOD Single : A 111 GLN : amide:sc= 0.834 K(o=0.83,f=0) USER MOD Single : A 113 SER OG : rot 29:sc= 0.648 USER MOD Single : A 118 SER OG : rot 73:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.613 -8.286 10.143 1.00 0.00 N ATOM 2 CA GLY A 1 -7.893 -7.606 8.864 1.00 0.00 C ATOM 3 C GLY A 1 -8.729 -8.460 7.926 1.00 0.00 C ATOM 4 O GLY A 1 -9.579 -9.234 8.370 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.237 -7.598 10.827 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.491 -8.700 10.515 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.913 -9.039 9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.414 -6.669 9.060 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.952 -7.351 8.377 1.00 0.00 H new ATOM 10 N LYS A 2 -8.505 -8.304 6.619 1.00 0.00 N ATOM 11 CA LYS A 2 -9.287 -8.885 5.518 1.00 0.00 C ATOM 12 C LYS A 2 -8.497 -8.916 4.191 1.00 0.00 C ATOM 13 O LYS A 2 -7.509 -8.189 4.033 1.00 0.00 O ATOM 14 CB LYS A 2 -10.607 -8.097 5.363 1.00 0.00 C ATOM 15 CG LYS A 2 -10.394 -6.645 4.891 1.00 0.00 C ATOM 16 CD LYS A 2 -11.701 -5.860 4.735 1.00 0.00 C ATOM 17 CE LYS A 2 -12.569 -6.389 3.584 1.00 0.00 C ATOM 18 NZ LYS A 2 -13.811 -5.586 3.426 1.00 0.00 N ATOM 0 H LYS A 2 -7.729 -7.737 6.278 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.509 -9.923 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.250 -8.614 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.132 -8.089 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.751 -6.129 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.868 -6.654 3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.266 -5.912 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.471 -4.809 4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.998 -6.365 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.829 -7.431 3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.375 -5.969 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.366 -5.629 4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.561 -4.597 3.223 1.00 0.00 H new ATOM 32 N THR A 3 -8.972 -9.706 3.217 1.00 0.00 N ATOM 33 CA THR A 3 -8.343 -9.884 1.895 1.00 0.00 C ATOM 34 C THR A 3 -9.295 -9.454 0.782 1.00 0.00 C ATOM 35 O THR A 3 -10.473 -9.813 0.799 1.00 0.00 O ATOM 36 CB THR A 3 -7.889 -11.337 1.689 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.277 -11.841 2.859 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.888 -11.453 0.537 1.00 0.00 C ATOM 0 H THR A 3 -9.825 -10.254 3.327 1.00 0.00 H new ATOM 0 HA THR A 3 -7.459 -9.247 1.856 1.00 0.00 H new ATOM 0 HB THR A 3 -8.782 -11.916 1.453 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.674 -11.164 3.230 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.588 -12.494 0.419 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.352 -11.103 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.010 -10.845 0.755 1.00 0.00 H new ATOM 46 N PHE A 4 -8.779 -8.690 -0.184 1.00 0.00 N ATOM 47 CA PHE A 4 -9.514 -8.159 -1.339 1.00 0.00 C ATOM 48 C PHE A 4 -9.237 -8.971 -2.617 1.00 0.00 C ATOM 49 O PHE A 4 -8.216 -9.656 -2.740 1.00 0.00 O ATOM 50 CB PHE A 4 -9.139 -6.672 -1.551 1.00 0.00 C ATOM 51 CG PHE A 4 -9.603 -5.735 -0.443 1.00 0.00 C ATOM 52 CD1 PHE A 4 -8.914 -5.670 0.786 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.748 -4.931 -0.633 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.389 -4.846 1.820 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.226 -4.116 0.407 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.550 -4.077 1.637 1.00 0.00 C ATOM 0 H PHE A 4 -7.798 -8.412 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.581 -8.241 -1.130 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.056 -6.594 -1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.565 -6.335 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.018 -6.256 0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.260 -4.943 -1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.859 -4.804 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.114 -3.519 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.922 -3.458 2.440 1.00 0.00 H new ATOM 66 N THR A 5 -10.136 -8.831 -3.596 1.00 0.00 N ATOM 67 CA THR A 5 -9.970 -9.274 -4.993 1.00 0.00 C ATOM 68 C THR A 5 -9.698 -8.042 -5.855 1.00 0.00 C ATOM 69 O THR A 5 -9.960 -6.926 -5.405 1.00 0.00 O ATOM 70 CB THR A 5 -11.180 -10.097 -5.454 1.00 0.00 C ATOM 71 OG1 THR A 5 -10.895 -10.595 -6.740 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.488 -9.303 -5.513 1.00 0.00 C ATOM 0 H THR A 5 -11.040 -8.387 -3.435 1.00 0.00 H new ATOM 0 HA THR A 5 -9.117 -9.946 -5.090 1.00 0.00 H new ATOM 0 HB THR A 5 -11.334 -10.888 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.653 -11.128 -7.060 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.295 -9.955 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.723 -8.914 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.379 -8.473 -6.212 1.00 0.00 H new ATOM 80 N ARG A 6 -9.160 -8.200 -7.068 1.00 0.00 N ATOM 81 CA ARG A 6 -8.692 -7.067 -7.885 1.00 0.00 C ATOM 82 C ARG A 6 -9.799 -6.038 -8.144 1.00 0.00 C ATOM 83 O ARG A 6 -9.605 -4.855 -7.870 1.00 0.00 O ATOM 84 CB ARG A 6 -8.055 -7.575 -9.188 1.00 0.00 C ATOM 85 CG ARG A 6 -7.321 -6.443 -9.933 1.00 0.00 C ATOM 86 CD ARG A 6 -6.577 -6.951 -11.172 1.00 0.00 C ATOM 87 NE ARG A 6 -5.490 -7.874 -10.802 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.098 -8.964 -11.447 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.679 -9.380 -12.554 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.086 -9.649 -10.972 1.00 0.00 N ATOM 0 H ARG A 6 -9.035 -9.109 -7.513 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.924 -6.541 -7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.354 -8.379 -8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.827 -7.996 -9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.041 -5.681 -10.231 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.612 -5.965 -9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.277 -7.458 -11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.167 -6.106 -11.725 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.979 -7.648 -9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.462 -8.857 -12.946 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.345 -10.225 -13.019 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.616 -9.340 -10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.769 -10.491 -11.453 1.00 0.00 H new ATOM 104 N CYS A 7 -10.988 -6.469 -8.576 1.00 0.00 N ATOM 105 CA CYS A 7 -12.131 -5.563 -8.801 1.00 0.00 C ATOM 106 C CYS A 7 -12.633 -4.877 -7.518 1.00 0.00 C ATOM 107 O CYS A 7 -13.084 -3.734 -7.577 1.00 0.00 O ATOM 108 CB CYS A 7 -13.258 -6.314 -9.523 1.00 0.00 C ATOM 109 SG CYS A 7 -13.979 -7.710 -8.617 1.00 0.00 S ATOM 0 H CYS A 7 -11.190 -7.448 -8.780 1.00 0.00 H new ATOM 0 HA CYS A 7 -11.778 -4.752 -9.437 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.053 -5.605 -9.753 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.873 -6.682 -10.474 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.917 -8.254 -9.334 1.00 0.00 H new ATOM 114 N GLY A 8 -12.461 -5.518 -6.355 1.00 0.00 N ATOM 115 CA GLY A 8 -12.735 -4.928 -5.041 1.00 0.00 C ATOM 116 C GLY A 8 -11.702 -3.861 -4.688 1.00 0.00 C ATOM 117 O GLY A 8 -12.076 -2.744 -4.343 1.00 0.00 O ATOM 0 H GLY A 8 -12.121 -6.478 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.732 -4.488 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.729 -5.709 -4.281 1.00 0.00 H new ATOM 121 N LEU A 9 -10.409 -4.165 -4.840 1.00 0.00 N ATOM 122 CA LEU A 9 -9.305 -3.234 -4.613 1.00 0.00 C ATOM 123 C LEU A 9 -9.356 -2.031 -5.560 1.00 0.00 C ATOM 124 O LEU A 9 -9.286 -0.909 -5.073 1.00 0.00 O ATOM 125 CB LEU A 9 -7.983 -4.017 -4.719 1.00 0.00 C ATOM 126 CG LEU A 9 -6.756 -3.147 -4.393 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.804 -2.633 -2.948 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.461 -3.928 -4.631 1.00 0.00 C ATOM 0 H LEU A 9 -10.096 -5.091 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.388 -2.807 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.013 -4.868 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.882 -4.419 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.776 -2.286 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.923 -2.022 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.702 -2.032 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.821 -3.479 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.606 -3.295 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.446 -4.811 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.408 -4.235 -5.676 1.00 0.00 H new ATOM 140 N VAL A 10 -9.548 -2.237 -6.867 1.00 0.00 N ATOM 141 CA VAL A 10 -9.727 -1.151 -7.857 1.00 0.00 C ATOM 142 C VAL A 10 -10.789 -0.148 -7.373 1.00 0.00 C ATOM 143 O VAL A 10 -10.563 1.058 -7.383 1.00 0.00 O ATOM 144 CB VAL A 10 -10.113 -1.713 -9.252 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.628 -0.631 -10.215 1.00 0.00 C ATOM 146 CG2 VAL A 10 -8.925 -2.407 -9.936 1.00 0.00 C ATOM 0 H VAL A 10 -9.585 -3.169 -7.279 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.773 -0.633 -7.956 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.912 -2.427 -9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.881 -1.087 -11.172 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.515 -0.160 -9.792 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.854 0.121 -10.365 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.236 -2.786 -10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.113 -1.692 -10.068 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.582 -3.236 -9.317 1.00 0.00 H new ATOM 156 N HIS A 11 -11.924 -0.648 -6.879 1.00 0.00 N ATOM 157 CA HIS A 11 -13.015 0.171 -6.332 1.00 0.00 C ATOM 158 C HIS A 11 -12.661 0.840 -4.989 1.00 0.00 C ATOM 159 O HIS A 11 -12.968 2.014 -4.787 1.00 0.00 O ATOM 160 CB HIS A 11 -14.273 -0.698 -6.168 1.00 0.00 C ATOM 161 CG HIS A 11 -14.954 -1.124 -7.447 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.192 -1.772 -7.495 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.512 -0.926 -8.727 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.456 -1.959 -8.798 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.467 -1.462 -9.561 1.00 0.00 N ATOM 0 H HIS A 11 -12.117 -1.649 -6.846 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.195 0.978 -7.042 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.002 -1.593 -5.608 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -14.993 -0.149 -5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.593 -0.443 -9.025 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.342 -2.443 -9.181 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.431 -1.479 -10.580 1.00 0.00 H new ATOM 173 N GLU A 12 -11.997 0.119 -4.086 1.00 0.00 N ATOM 174 CA GLU A 12 -11.583 0.614 -2.768 1.00 0.00 C ATOM 175 C GLU A 12 -10.606 1.789 -2.892 1.00 0.00 C ATOM 176 O GLU A 12 -10.751 2.797 -2.206 1.00 0.00 O ATOM 177 CB GLU A 12 -10.991 -0.556 -1.960 1.00 0.00 C ATOM 178 CG GLU A 12 -11.245 -0.470 -0.451 1.00 0.00 C ATOM 179 CD GLU A 12 -12.738 -0.359 -0.088 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.586 -1.042 -0.707 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.088 0.444 0.805 1.00 0.00 O ATOM 0 H GLU A 12 -11.724 -0.850 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.451 1.002 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.410 -1.490 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.916 -0.596 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.826 -1.353 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.716 0.394 -0.049 1.00 0.00 H new ATOM 188 N LEU A 13 -9.673 1.711 -3.840 1.00 0.00 N ATOM 189 CA LEU A 13 -8.715 2.775 -4.141 1.00 0.00 C ATOM 190 C LEU A 13 -9.366 3.944 -4.890 1.00 0.00 C ATOM 191 O LEU A 13 -9.077 5.101 -4.582 1.00 0.00 O ATOM 192 CB LEU A 13 -7.567 2.165 -4.950 1.00 0.00 C ATOM 193 CG LEU A 13 -6.812 1.037 -4.235 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.812 0.424 -5.215 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.087 1.508 -2.972 1.00 0.00 C ATOM 0 H LEU A 13 -9.559 0.889 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.336 3.193 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.966 1.780 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.859 2.954 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.544 0.298 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.266 -0.381 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.346 0.025 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.110 1.190 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.572 0.664 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.361 2.277 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.811 1.918 -2.268 1.00 0.00 H new ATOM 207 N ARG A 14 -10.290 3.670 -5.816 1.00 0.00 N ATOM 208 CA ARG A 14 -11.094 4.716 -6.481 1.00 0.00 C ATOM 209 C ARG A 14 -11.898 5.558 -5.472 1.00 0.00 C ATOM 210 O ARG A 14 -11.950 6.782 -5.600 1.00 0.00 O ATOM 211 CB ARG A 14 -12.036 4.106 -7.531 1.00 0.00 C ATOM 212 CG ARG A 14 -11.339 3.768 -8.858 1.00 0.00 C ATOM 213 CD ARG A 14 -12.254 2.883 -9.712 1.00 0.00 C ATOM 214 NE ARG A 14 -11.691 2.607 -11.044 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.221 1.781 -11.942 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.384 1.197 -11.756 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.589 1.502 -13.059 1.00 0.00 N ATOM 0 H ARG A 14 -10.506 2.723 -6.129 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.391 5.381 -6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.483 3.199 -7.123 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.851 4.803 -7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.097 4.684 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.397 3.254 -8.665 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.429 1.941 -9.193 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.223 3.370 -9.825 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.827 3.086 -11.298 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.911 1.372 -10.901 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.759 0.569 -12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.678 1.921 -13.248 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.009 0.867 -13.738 1.00 0.00 H new ATOM 231 N LYS A 15 -12.468 4.937 -4.430 1.00 0.00 N ATOM 232 CA LYS A 15 -13.127 5.643 -3.314 1.00 0.00 C ATOM 233 C LYS A 15 -12.135 6.433 -2.434 1.00 0.00 C ATOM 234 O LYS A 15 -12.490 7.478 -1.885 1.00 0.00 O ATOM 235 CB LYS A 15 -13.899 4.630 -2.449 1.00 0.00 C ATOM 236 CG LYS A 15 -15.153 4.065 -3.141 1.00 0.00 C ATOM 237 CD LYS A 15 -15.890 3.029 -2.274 1.00 0.00 C ATOM 238 CE LYS A 15 -15.014 1.797 -2.001 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.702 0.773 -1.176 1.00 0.00 N ATOM 0 H LYS A 15 -12.487 3.922 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.811 6.370 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.235 3.806 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.193 5.110 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.832 4.884 -3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.866 3.604 -4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.182 3.486 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.807 2.720 -2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.716 1.352 -2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.101 2.111 -1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.043 -0.004 -0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.024 1.204 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.522 0.401 -1.697 1.00 0.00 H new ATOM 253 N HIS A 16 -10.886 5.969 -2.335 1.00 0.00 N ATOM 254 CA HIS A 16 -9.840 6.529 -1.466 1.00 0.00 C ATOM 255 C HIS A 16 -8.911 7.557 -2.159 1.00 0.00 C ATOM 256 O HIS A 16 -7.968 8.048 -1.535 1.00 0.00 O ATOM 257 CB HIS A 16 -9.071 5.362 -0.816 1.00 0.00 C ATOM 258 CG HIS A 16 -9.887 4.544 0.162 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.235 4.726 0.497 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.398 3.502 0.889 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.518 3.762 1.388 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.435 3.019 1.654 1.00 0.00 N ATOM 0 H HIS A 16 -10.562 5.166 -2.875 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.326 7.124 -0.693 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.701 4.704 -1.602 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.199 5.761 -0.298 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.386 3.125 0.869 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.490 3.606 1.832 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.388 2.236 2.306 1.00 0.00 H new ATOM 270 N GLY A 17 -9.183 7.917 -3.421 1.00 0.00 N ATOM 271 CA GLY A 17 -8.507 9.013 -4.135 1.00 0.00 C ATOM 272 C GLY A 17 -7.282 8.580 -4.943 1.00 0.00 C ATOM 273 O GLY A 17 -6.303 9.323 -5.011 1.00 0.00 O ATOM 0 H GLY A 17 -9.891 7.448 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.222 9.487 -4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.201 9.768 -3.411 1.00 0.00 H new ATOM 277 N PHE A 18 -7.319 7.387 -5.542 1.00 0.00 N ATOM 278 CA PHE A 18 -6.296 6.879 -6.460 1.00 0.00 C ATOM 279 C PHE A 18 -6.771 7.060 -7.913 1.00 0.00 C ATOM 280 O PHE A 18 -7.940 6.819 -8.225 1.00 0.00 O ATOM 281 CB PHE A 18 -6.014 5.409 -6.140 1.00 0.00 C ATOM 282 CG PHE A 18 -5.297 5.155 -4.821 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.922 5.419 -3.587 1.00 0.00 C ATOM 284 CD2 PHE A 18 -3.993 4.628 -4.828 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.240 5.194 -2.384 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.313 4.383 -3.624 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.936 4.669 -2.399 1.00 0.00 C ATOM 0 H PHE A 18 -8.084 6.728 -5.397 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.369 7.438 -6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.961 4.869 -6.130 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.415 4.987 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.933 5.797 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.510 4.410 -5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.717 5.424 -1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.313 3.975 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.415 4.486 -1.471 1.00 0.00 H new ATOM 297 N GLU A 19 -5.873 7.493 -8.801 1.00 0.00 N ATOM 298 CA GLU A 19 -6.214 7.860 -10.183 1.00 0.00 C ATOM 299 C GLU A 19 -6.409 6.624 -11.072 1.00 0.00 C ATOM 300 O GLU A 19 -5.622 5.678 -11.017 1.00 0.00 O ATOM 301 CB GLU A 19 -5.123 8.752 -10.795 1.00 0.00 C ATOM 302 CG GLU A 19 -4.820 10.040 -10.024 1.00 0.00 C ATOM 303 CD GLU A 19 -6.043 10.967 -9.930 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.396 11.614 -10.944 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.651 11.063 -8.839 1.00 0.00 O ATOM 0 H GLU A 19 -4.882 7.600 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.155 8.408 -10.140 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.204 8.171 -10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.421 9.017 -11.809 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.480 9.788 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.003 10.570 -10.513 1.00 0.00 H new ATOM 312 N GLU A 20 -7.426 6.646 -11.941 1.00 0.00 N ATOM 313 CA GLU A 20 -7.771 5.519 -12.820 1.00 0.00 C ATOM 314 C GLU A 20 -6.652 5.125 -13.806 1.00 0.00 C ATOM 315 O GLU A 20 -6.547 3.954 -14.175 1.00 0.00 O ATOM 316 CB GLU A 20 -9.096 5.797 -13.554 1.00 0.00 C ATOM 317 CG GLU A 20 -9.040 6.971 -14.543 1.00 0.00 C ATOM 318 CD GLU A 20 -10.413 7.211 -15.187 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.700 6.615 -16.254 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.214 8.005 -14.638 1.00 0.00 O ATOM 0 H GLU A 20 -8.039 7.453 -12.056 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.896 4.652 -12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.394 4.898 -14.093 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.872 5.997 -12.815 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.714 7.873 -14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.302 6.764 -15.318 1.00 0.00 H new ATOM 327 N ASN A 21 -5.775 6.063 -14.187 1.00 0.00 N ATOM 328 CA ASN A 21 -4.611 5.799 -15.043 1.00 0.00 C ATOM 329 C ASN A 21 -3.392 5.245 -14.274 1.00 0.00 C ATOM 330 O ASN A 21 -2.485 4.684 -14.891 1.00 0.00 O ATOM 331 CB ASN A 21 -4.250 7.064 -15.841 1.00 0.00 C ATOM 332 CG ASN A 21 -3.581 8.155 -15.005 1.00 0.00 C ATOM 333 OD1 ASN A 21 -3.981 8.443 -13.887 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.536 8.782 -15.515 1.00 0.00 N ATOM 0 H ASN A 21 -5.855 7.040 -13.905 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.896 5.007 -15.735 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.585 6.788 -16.659 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.157 7.469 -16.290 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.063 9.507 -14.975 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.202 8.541 -16.448 1.00 0.00 H new ATOM 341 N LEU A 22 -3.374 5.366 -12.938 1.00 0.00 N ATOM 342 CA LEU A 22 -2.359 4.775 -12.054 1.00 0.00 C ATOM 343 C LEU A 22 -2.839 3.469 -11.402 1.00 0.00 C ATOM 344 O LEU A 22 -2.023 2.720 -10.873 1.00 0.00 O ATOM 345 CB LEU A 22 -1.962 5.797 -10.970 1.00 0.00 C ATOM 346 CG LEU A 22 -1.412 7.146 -11.475 1.00 0.00 C ATOM 347 CD1 LEU A 22 -0.983 7.996 -10.270 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.236 7.000 -12.454 1.00 0.00 C ATOM 0 H LEU A 22 -4.085 5.892 -12.429 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.492 4.525 -12.666 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.836 5.994 -10.349 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.210 5.340 -10.327 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.215 7.632 -12.030 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.593 8.952 -10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.843 8.170 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.209 7.470 -9.711 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.100 7.988 -12.768 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.584 6.477 -11.962 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.557 6.432 -13.327 1.00 0.00 H new ATOM 360 N MET A 23 -4.143 3.178 -11.448 1.00 0.00 N ATOM 361 CA MET A 23 -4.787 2.041 -10.776 1.00 0.00 C ATOM 362 C MET A 23 -4.098 0.698 -11.072 1.00 0.00 C ATOM 363 O MET A 23 -3.812 -0.054 -10.139 1.00 0.00 O ATOM 364 CB MET A 23 -6.277 2.048 -11.167 1.00 0.00 C ATOM 365 CG MET A 23 -7.178 1.224 -10.235 1.00 0.00 C ATOM 366 SD MET A 23 -7.121 1.709 -8.495 1.00 0.00 S ATOM 367 CE MET A 23 -7.604 3.444 -8.661 1.00 0.00 C ATOM 0 H MET A 23 -4.805 3.748 -11.974 1.00 0.00 H new ATOM 0 HA MET A 23 -4.690 2.154 -9.696 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.633 3.078 -11.180 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.376 1.664 -12.182 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.207 1.303 -10.585 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.894 0.175 -10.314 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.174 3.749 -7.783 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.711 4.064 -8.747 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.218 3.567 -9.553 1.00 0.00 H new ATOM 377 N ARG A 24 -3.721 0.437 -12.334 1.00 0.00 N ATOM 378 CA ARG A 24 -2.940 -0.746 -12.738 1.00 0.00 C ATOM 379 C ARG A 24 -1.625 -0.879 -11.954 1.00 0.00 C ATOM 380 O ARG A 24 -1.360 -1.933 -11.376 1.00 0.00 O ATOM 381 CB ARG A 24 -2.635 -0.707 -14.247 1.00 0.00 C ATOM 382 CG ARG A 24 -3.902 -0.685 -15.114 1.00 0.00 C ATOM 383 CD ARG A 24 -3.587 -0.795 -16.611 1.00 0.00 C ATOM 384 NE ARG A 24 -3.157 -2.157 -16.968 1.00 0.00 N ATOM 385 CZ ARG A 24 -2.713 -2.571 -18.147 1.00 0.00 C ATOM 386 NH1 ARG A 24 -2.542 -1.748 -19.162 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.435 -3.844 -18.319 1.00 0.00 N ATOM 0 H ARG A 24 -3.953 1.051 -13.115 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.555 -1.616 -12.508 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.035 0.175 -14.468 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.034 -1.576 -14.513 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.554 -1.508 -14.821 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.451 0.238 -14.928 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.470 -0.526 -17.191 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.804 -0.084 -16.873 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.206 -2.858 -16.229 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.753 -0.756 -19.055 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.198 -2.103 -20.054 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.561 -4.502 -17.550 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.093 -4.174 -19.222 1.00 0.00 H new ATOM 401 N ASN A 25 -0.829 0.194 -11.879 1.00 0.00 N ATOM 402 CA ASN A 25 0.421 0.228 -11.108 1.00 0.00 C ATOM 403 C ASN A 25 0.149 -0.037 -9.622 1.00 0.00 C ATOM 404 O ASN A 25 0.835 -0.852 -9.009 1.00 0.00 O ATOM 405 CB ASN A 25 1.139 1.586 -11.251 1.00 0.00 C ATOM 406 CG ASN A 25 1.653 1.920 -12.648 1.00 0.00 C ATOM 407 OD1 ASN A 25 1.133 1.483 -13.665 1.00 0.00 O ATOM 408 ND2 ASN A 25 2.701 2.721 -12.732 1.00 0.00 N ATOM 0 H ASN A 25 -1.036 1.072 -12.356 1.00 0.00 H new ATOM 0 HA ASN A 25 1.065 -0.555 -11.510 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.453 2.373 -10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.982 1.605 -10.560 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.077 2.975 -13.646 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.134 3.085 -11.883 1.00 0.00 H new ATOM 415 N TRP A 26 -0.884 0.599 -9.056 1.00 0.00 N ATOM 416 CA TRP A 26 -1.237 0.482 -7.644 1.00 0.00 C ATOM 417 C TRP A 26 -1.729 -0.921 -7.264 1.00 0.00 C ATOM 418 O TRP A 26 -1.199 -1.498 -6.313 1.00 0.00 O ATOM 419 CB TRP A 26 -2.254 1.572 -7.286 1.00 0.00 C ATOM 420 CG TRP A 26 -1.664 2.934 -7.086 1.00 0.00 C ATOM 421 CD1 TRP A 26 -1.919 4.040 -7.820 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.746 3.364 -6.033 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.256 5.124 -7.277 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.544 4.771 -6.148 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.087 2.703 -4.974 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.234 5.494 -5.227 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.709 3.411 -4.056 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.862 4.805 -4.173 1.00 0.00 C ATOM 0 H TRP A 26 -1.505 1.218 -9.578 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.334 0.632 -7.053 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.002 1.627 -8.077 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.775 1.279 -6.375 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.546 4.072 -8.699 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.289 6.068 -7.662 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.196 1.634 -4.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.348 6.563 -5.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.206 2.882 -3.256 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.461 5.345 -3.455 1.00 0.00 H new ATOM 439 N VAL A 27 -2.664 -1.515 -8.016 1.00 0.00 N ATOM 440 CA VAL A 27 -3.129 -2.883 -7.703 1.00 0.00 C ATOM 441 C VAL A 27 -2.020 -3.915 -7.900 1.00 0.00 C ATOM 442 O VAL A 27 -1.924 -4.850 -7.115 1.00 0.00 O ATOM 443 CB VAL A 27 -4.410 -3.334 -8.441 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.541 -2.327 -8.223 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.208 -3.619 -9.937 1.00 0.00 C ATOM 0 H VAL A 27 -3.108 -1.087 -8.828 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.402 -2.829 -6.649 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.687 -4.291 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.434 -2.663 -8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.757 -2.248 -7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.239 -1.352 -8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.155 -3.930 -10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.854 -2.716 -10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.472 -4.414 -10.060 1.00 0.00 H new ATOM 455 N CYS A 28 -1.133 -3.720 -8.883 1.00 0.00 N ATOM 456 CA CYS A 28 -0.010 -4.629 -9.127 1.00 0.00 C ATOM 457 C CYS A 28 1.054 -4.534 -8.022 1.00 0.00 C ATOM 458 O CYS A 28 1.466 -5.559 -7.480 1.00 0.00 O ATOM 459 CB CYS A 28 0.532 -4.350 -10.528 1.00 0.00 C ATOM 460 SG CYS A 28 1.686 -5.610 -11.132 1.00 0.00 S ATOM 0 H CYS A 28 -1.174 -2.931 -9.528 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.346 -5.665 -9.089 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.305 -4.275 -11.222 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.034 -3.382 -10.527 1.00 0.00 H new ATOM 0 HG CYS A 28 2.798 -5.537 -10.462 1.00 0.00 H new ATOM 465 N LEU A 29 1.397 -3.312 -7.595 1.00 0.00 N ATOM 466 CA LEU A 29 2.220 -3.024 -6.412 1.00 0.00 C ATOM 467 C LEU A 29 1.642 -3.725 -5.179 1.00 0.00 C ATOM 468 O LEU A 29 2.331 -4.521 -4.546 1.00 0.00 O ATOM 469 CB LEU A 29 2.302 -1.488 -6.273 1.00 0.00 C ATOM 470 CG LEU A 29 3.109 -0.888 -5.101 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.289 0.610 -5.393 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.424 -1.017 -3.729 1.00 0.00 C ATOM 0 H LEU A 29 1.099 -2.466 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 29 3.232 -3.414 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.723 -1.095 -7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.283 -1.109 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 29 4.046 -1.441 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.856 1.073 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.827 0.735 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.311 1.086 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.058 -0.571 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.464 -0.501 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.265 -2.071 -3.500 1.00 0.00 H new ATOM 484 N VAL A 30 0.367 -3.478 -4.870 1.00 0.00 N ATOM 485 CA VAL A 30 -0.312 -4.039 -3.688 1.00 0.00 C ATOM 486 C VAL A 30 -0.375 -5.572 -3.732 1.00 0.00 C ATOM 487 O VAL A 30 -0.109 -6.220 -2.718 1.00 0.00 O ATOM 488 CB VAL A 30 -1.721 -3.424 -3.543 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.622 -4.213 -2.585 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.618 -1.971 -3.049 1.00 0.00 C ATOM 0 H VAL A 30 -0.233 -2.878 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 30 0.276 -3.777 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.176 -3.461 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.598 -3.732 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.742 -5.232 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.167 -4.237 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.618 -1.548 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.119 -1.951 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.044 -1.383 -3.765 1.00 0.00 H new ATOM 500 N GLU A 31 -0.679 -6.163 -4.893 1.00 0.00 N ATOM 501 CA GLU A 31 -0.717 -7.621 -5.060 1.00 0.00 C ATOM 502 C GLU A 31 0.650 -8.275 -4.831 1.00 0.00 C ATOM 503 O GLU A 31 0.725 -9.329 -4.202 1.00 0.00 O ATOM 504 CB GLU A 31 -1.242 -7.992 -6.458 1.00 0.00 C ATOM 505 CG GLU A 31 -2.770 -7.886 -6.547 1.00 0.00 C ATOM 506 CD GLU A 31 -3.327 -8.078 -7.964 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.612 -8.537 -8.882 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.542 -7.841 -8.156 1.00 0.00 O ATOM 0 H GLU A 31 -0.905 -5.645 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.397 -8.005 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.790 -7.335 -7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.935 -9.009 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.215 -8.632 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.079 -6.909 -6.176 1.00 0.00 H new ATOM 515 N HIS A 32 1.739 -7.643 -5.265 1.00 0.00 N ATOM 516 CA HIS A 32 3.092 -8.165 -5.064 1.00 0.00 C ATOM 517 C HIS A 32 3.706 -7.820 -3.687 1.00 0.00 C ATOM 518 O HIS A 32 4.658 -8.483 -3.266 1.00 0.00 O ATOM 519 CB HIS A 32 3.958 -7.692 -6.228 1.00 0.00 C ATOM 520 CG HIS A 32 3.682 -8.441 -7.506 1.00 0.00 C ATOM 521 ND1 HIS A 32 3.770 -9.827 -7.672 1.00 0.00 N ATOM 522 CD2 HIS A 32 3.316 -7.879 -8.690 1.00 0.00 C ATOM 523 CE1 HIS A 32 3.446 -10.057 -8.956 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.165 -8.907 -9.591 1.00 0.00 N ATOM 0 H HIS A 32 1.710 -6.755 -5.766 1.00 0.00 H new ATOM 0 HA HIS A 32 3.043 -9.254 -5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.788 -6.628 -6.392 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.009 -7.809 -5.964 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.172 -6.827 -8.885 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.416 -11.034 -9.415 1.00 0.00 H new ATOM 0 HE2 HIS A 32 2.889 -8.813 -10.568 1.00 0.00 H new ATOM 532 N GLU A 33 3.162 -6.830 -2.969 1.00 0.00 N ATOM 533 CA GLU A 33 3.572 -6.482 -1.602 1.00 0.00 C ATOM 534 C GLU A 33 2.818 -7.306 -0.542 1.00 0.00 C ATOM 535 O GLU A 33 3.452 -7.997 0.253 1.00 0.00 O ATOM 536 CB GLU A 33 3.406 -4.972 -1.348 1.00 0.00 C ATOM 537 CG GLU A 33 4.475 -4.104 -2.035 1.00 0.00 C ATOM 538 CD GLU A 33 5.913 -4.318 -1.525 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.117 -4.839 -0.405 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.854 -3.945 -2.261 1.00 0.00 O ATOM 0 H GLU A 33 2.412 -6.238 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 33 4.629 -6.733 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.421 -4.661 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.438 -4.788 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.452 -4.305 -3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.211 -3.055 -1.902 1.00 0.00 H new ATOM 547 N SER A 34 1.480 -7.279 -0.512 1.00 0.00 N ATOM 548 CA SER A 34 0.681 -7.917 0.553 1.00 0.00 C ATOM 549 C SER A 34 -0.250 -9.039 0.074 1.00 0.00 C ATOM 550 O SER A 34 -0.840 -9.729 0.905 1.00 0.00 O ATOM 551 CB SER A 34 -0.186 -6.858 1.246 1.00 0.00 C ATOM 552 OG SER A 34 -1.172 -6.357 0.355 1.00 0.00 O ATOM 0 H SER A 34 0.916 -6.815 -1.224 1.00 0.00 H new ATOM 0 HA SER A 34 1.410 -8.369 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.667 -7.291 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.442 -6.040 1.599 1.00 0.00 H new ATOM 0 HG SER A 34 -1.069 -5.387 0.265 1.00 0.00 H new ATOM 558 N SER A 35 -0.414 -9.209 -1.239 1.00 0.00 N ATOM 559 CA SER A 35 -1.436 -10.059 -1.875 1.00 0.00 C ATOM 560 C SER A 35 -2.866 -9.509 -1.674 1.00 0.00 C ATOM 561 O SER A 35 -3.840 -10.268 -1.706 1.00 0.00 O ATOM 562 CB SER A 35 -1.340 -11.542 -1.466 1.00 0.00 C ATOM 563 OG SER A 35 -0.020 -12.067 -1.590 1.00 0.00 O ATOM 0 H SER A 35 0.183 -8.741 -1.921 1.00 0.00 H new ATOM 0 HA SER A 35 -1.217 -10.021 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.674 -11.652 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.019 -12.129 -2.085 1.00 0.00 H new ATOM 0 HG SER A 35 -0.015 -13.008 -1.317 1.00 0.00 H new ATOM 569 N ARG A 36 -3.000 -8.192 -1.436 1.00 0.00 N ATOM 570 CA ARG A 36 -4.251 -7.494 -1.107 1.00 0.00 C ATOM 571 C ARG A 36 -4.813 -7.912 0.263 1.00 0.00 C ATOM 572 O ARG A 36 -6.029 -7.959 0.449 1.00 0.00 O ATOM 573 CB ARG A 36 -5.337 -7.615 -2.194 1.00 0.00 C ATOM 574 CG ARG A 36 -4.903 -7.725 -3.656 1.00 0.00 C ATOM 575 CD ARG A 36 -6.158 -7.603 -4.537 1.00 0.00 C ATOM 576 NE ARG A 36 -6.015 -8.345 -5.789 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.146 -9.651 -5.976 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.547 -10.477 -5.032 1.00 0.00 N ATOM 579 NH2 ARG A 36 -5.854 -10.132 -7.160 1.00 0.00 N ATOM 0 H ARG A 36 -2.201 -7.558 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.972 -6.441 -1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.941 -8.492 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.990 -6.746 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.188 -6.940 -3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.404 -8.677 -3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.024 -7.976 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.348 -6.552 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.788 -7.793 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.774 -10.119 -4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.631 -11.474 -5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.538 -9.506 -7.901 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.943 -11.132 -7.340 1.00 0.00 H new ATOM 593 N ASP A 37 -3.949 -8.213 1.229 1.00 0.00 N ATOM 594 CA ASP A 37 -4.329 -8.671 2.574 1.00 0.00 C ATOM 595 C ASP A 37 -3.877 -7.668 3.641 1.00 0.00 C ATOM 596 O ASP A 37 -2.673 -7.448 3.812 1.00 0.00 O ATOM 597 CB ASP A 37 -3.735 -10.065 2.831 1.00 0.00 C ATOM 598 CG ASP A 37 -4.064 -10.604 4.231 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.189 -10.352 4.721 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.195 -11.287 4.820 1.00 0.00 O ATOM 0 H ASP A 37 -2.939 -8.145 1.101 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.415 -8.739 2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.113 -10.760 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.653 -10.022 2.708 1.00 0.00 H new ATOM 605 N THR A 38 -4.831 -7.045 4.351 1.00 0.00 N ATOM 606 CA THR A 38 -4.504 -6.028 5.366 1.00 0.00 C ATOM 607 C THR A 38 -3.784 -6.653 6.553 1.00 0.00 C ATOM 608 O THR A 38 -2.958 -6.000 7.175 1.00 0.00 O ATOM 609 CB THR A 38 -5.714 -5.228 5.868 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.665 -6.057 6.476 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.434 -4.457 4.770 1.00 0.00 C ATOM 0 H THR A 38 -5.829 -7.225 4.243 1.00 0.00 H new ATOM 0 HA THR A 38 -3.849 -5.321 4.856 1.00 0.00 H new ATOM 0 HB THR A 38 -5.291 -4.522 6.583 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.261 -5.516 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.278 -3.916 5.199 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.744 -3.749 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.796 -5.154 4.014 1.00 0.00 H new ATOM 619 N SER A 39 -4.029 -7.931 6.837 1.00 0.00 N ATOM 620 CA SER A 39 -3.429 -8.665 7.955 1.00 0.00 C ATOM 621 C SER A 39 -1.940 -9.018 7.752 1.00 0.00 C ATOM 622 O SER A 39 -1.303 -9.555 8.662 1.00 0.00 O ATOM 623 CB SER A 39 -4.221 -9.962 8.187 1.00 0.00 C ATOM 624 OG SER A 39 -5.600 -9.729 8.452 1.00 0.00 O ATOM 0 H SER A 39 -4.667 -8.502 6.282 1.00 0.00 H new ATOM 0 HA SER A 39 -3.476 -8.001 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.128 -10.601 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.782 -10.505 9.024 1.00 0.00 H new ATOM 0 HG SER A 39 -6.056 -10.585 8.590 1.00 0.00 H new ATOM 630 N LYS A 40 -1.365 -8.750 6.573 1.00 0.00 N ATOM 631 CA LYS A 40 -0.019 -9.196 6.202 1.00 0.00 C ATOM 632 C LYS A 40 1.102 -8.380 6.881 1.00 0.00 C ATOM 633 O LYS A 40 1.023 -7.150 6.992 1.00 0.00 O ATOM 634 CB LYS A 40 0.095 -9.169 4.666 1.00 0.00 C ATOM 635 CG LYS A 40 1.309 -9.935 4.110 1.00 0.00 C ATOM 636 CD LYS A 40 1.288 -11.458 4.331 1.00 0.00 C ATOM 637 CE LYS A 40 0.003 -12.166 3.863 1.00 0.00 C ATOM 638 NZ LYS A 40 -0.211 -12.081 2.393 1.00 0.00 N ATOM 0 H LYS A 40 -1.828 -8.211 5.842 1.00 0.00 H new ATOM 0 HA LYS A 40 0.122 -10.214 6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.814 -9.591 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.151 -8.132 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.380 -9.741 3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.212 -9.531 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.138 -11.897 3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.429 -11.658 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.046 -13.215 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.853 -11.726 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.012 -12.686 2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.416 -11.096 2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.646 -12.401 1.898 1.00 0.00 H new ATOM 652 N THR A 41 2.194 -9.067 7.239 1.00 0.00 N ATOM 653 CA THR A 41 3.398 -8.520 7.895 1.00 0.00 C ATOM 654 C THR A 41 4.655 -9.259 7.455 1.00 0.00 C ATOM 655 O THR A 41 4.604 -10.439 7.107 1.00 0.00 O ATOM 656 CB THR A 41 3.312 -8.561 9.434 1.00 0.00 C ATOM 657 OG1 THR A 41 2.734 -9.779 9.853 1.00 0.00 O ATOM 658 CG2 THR A 41 2.519 -7.402 10.037 1.00 0.00 C ATOM 0 H THR A 41 2.270 -10.070 7.072 1.00 0.00 H new ATOM 0 HA THR A 41 3.452 -7.477 7.582 1.00 0.00 H new ATOM 0 HB THR A 41 4.337 -8.470 9.794 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.684 -9.798 10.832 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.502 -7.499 11.123 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.990 -6.458 9.764 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.498 -7.422 9.655 1.00 0.00 H new ATOM 666 N ASN A 42 5.788 -8.556 7.502 1.00 0.00 N ATOM 667 CA ASN A 42 7.114 -9.055 7.114 1.00 0.00 C ATOM 668 C ASN A 42 8.230 -8.357 7.917 1.00 0.00 C ATOM 669 O ASN A 42 8.311 -7.126 7.919 1.00 0.00 O ATOM 670 CB ASN A 42 7.323 -8.823 5.605 1.00 0.00 C ATOM 671 CG ASN A 42 6.592 -9.840 4.732 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.016 -10.981 4.594 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.499 -9.454 4.099 1.00 0.00 N ATOM 0 H ASN A 42 5.811 -7.588 7.823 1.00 0.00 H new ATOM 0 HA ASN A 42 7.163 -10.121 7.334 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.981 -7.821 5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.389 -8.863 5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.004 -10.107 3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.150 -8.503 4.217 1.00 0.00 H new ATOM 680 N THR A 43 9.092 -9.131 8.593 1.00 0.00 N ATOM 681 CA THR A 43 10.246 -8.633 9.372 1.00 0.00 C ATOM 682 C THR A 43 11.466 -8.491 8.467 1.00 0.00 C ATOM 683 O THR A 43 11.715 -9.346 7.617 1.00 0.00 O ATOM 684 CB THR A 43 10.561 -9.568 10.546 1.00 0.00 C ATOM 685 OG1 THR A 43 9.374 -9.807 11.272 1.00 0.00 O ATOM 686 CG2 THR A 43 11.572 -8.961 11.524 1.00 0.00 C ATOM 0 H THR A 43 9.008 -10.147 8.617 1.00 0.00 H new ATOM 0 HA THR A 43 9.989 -7.655 9.778 1.00 0.00 H new ATOM 0 HB THR A 43 10.982 -10.480 10.124 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.565 -10.406 12.024 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.760 -9.664 12.336 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.505 -8.754 11.000 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.171 -8.033 11.932 1.00 0.00 H new ATOM 694 N ASN A 44 12.231 -7.420 8.663 1.00 0.00 N ATOM 695 CA ASN A 44 13.406 -7.070 7.858 1.00 0.00 C ATOM 696 C ASN A 44 14.731 -7.371 8.582 1.00 0.00 C ATOM 697 O ASN A 44 14.790 -7.456 9.812 1.00 0.00 O ATOM 698 CB ASN A 44 13.327 -5.582 7.486 1.00 0.00 C ATOM 699 CG ASN A 44 12.035 -5.234 6.752 1.00 0.00 C ATOM 700 OD1 ASN A 44 11.675 -5.841 5.749 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.320 -4.242 7.241 1.00 0.00 N ATOM 0 H ASN A 44 12.047 -6.749 9.409 1.00 0.00 H new ATOM 0 HA ASN A 44 13.397 -7.688 6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.401 -4.979 8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.180 -5.321 6.859 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.450 -3.967 6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.636 -3.749 8.076 1.00 0.00 H new ATOM 708 N ARG A 45 15.825 -7.451 7.812 1.00 0.00 N ATOM 709 CA ARG A 45 17.190 -7.708 8.322 1.00 0.00 C ATOM 710 C ARG A 45 17.721 -6.584 9.230 1.00 0.00 C ATOM 711 O ARG A 45 18.576 -6.818 10.083 1.00 0.00 O ATOM 712 CB ARG A 45 18.166 -7.933 7.151 1.00 0.00 C ATOM 713 CG ARG A 45 17.730 -9.095 6.243 1.00 0.00 C ATOM 714 CD ARG A 45 18.756 -9.402 5.142 1.00 0.00 C ATOM 715 NE ARG A 45 20.000 -9.977 5.688 1.00 0.00 N ATOM 716 CZ ARG A 45 21.120 -10.213 5.013 1.00 0.00 C ATOM 717 NH1 ARG A 45 21.234 -9.942 3.728 1.00 0.00 N ATOM 718 NH2 ARG A 45 22.157 -10.735 5.633 1.00 0.00 N ATOM 0 H ARG A 45 15.792 -7.338 6.799 1.00 0.00 H new ATOM 0 HA ARG A 45 17.124 -8.608 8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.237 -7.020 6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.162 -8.136 7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.576 -9.987 6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.772 -8.852 5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.320 -10.097 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.988 -8.486 4.598 1.00 0.00 H new ATOM 0 HE ARG A 45 20.000 -10.217 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.447 -9.538 3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.109 -10.136 3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.099 -10.956 6.627 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.019 -10.918 5.120 1.00 0.00 H new ATOM 732 N ASN A 46 17.170 -5.375 9.079 1.00 0.00 N ATOM 733 CA ASN A 46 17.474 -4.185 9.889 1.00 0.00 C ATOM 734 C ASN A 46 16.643 -4.099 11.199 1.00 0.00 C ATOM 735 O ASN A 46 16.690 -3.091 11.909 1.00 0.00 O ATOM 736 CB ASN A 46 17.300 -2.951 8.978 1.00 0.00 C ATOM 737 CG ASN A 46 18.022 -1.691 9.461 1.00 0.00 C ATOM 738 OD1 ASN A 46 18.903 -1.719 10.312 1.00 0.00 O ATOM 739 ND2 ASN A 46 17.673 -0.539 8.915 1.00 0.00 N ATOM 0 H ASN A 46 16.471 -5.189 8.360 1.00 0.00 H new ATOM 0 HA ASN A 46 18.502 -4.240 10.247 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.661 -3.200 7.980 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.236 -2.731 8.887 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.137 0.323 9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.940 -0.512 8.206 1.00 0.00 H new ATOM 746 N GLY A 47 15.843 -5.131 11.518 1.00 0.00 N ATOM 747 CA GLY A 47 15.085 -5.276 12.774 1.00 0.00 C ATOM 748 C GLY A 47 13.731 -4.558 12.814 1.00 0.00 C ATOM 749 O GLY A 47 13.019 -4.657 13.811 1.00 0.00 O ATOM 0 H GLY A 47 15.701 -5.917 10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.919 -6.338 12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.699 -4.903 13.594 1.00 0.00 H new ATOM 753 N SER A 48 13.363 -3.845 11.753 1.00 0.00 N ATOM 754 CA SER A 48 12.030 -3.266 11.557 1.00 0.00 C ATOM 755 C SER A 48 11.032 -4.300 10.996 1.00 0.00 C ATOM 756 O SER A 48 11.412 -5.400 10.580 1.00 0.00 O ATOM 757 CB SER A 48 12.166 -2.059 10.619 1.00 0.00 C ATOM 758 OG SER A 48 12.693 -2.447 9.352 1.00 0.00 O ATOM 0 H SER A 48 14.000 -3.646 10.981 1.00 0.00 H new ATOM 0 HA SER A 48 11.629 -2.947 12.519 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.192 -1.590 10.482 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.818 -1.313 11.074 1.00 0.00 H new ATOM 0 HG SER A 48 12.917 -1.647 8.832 1.00 0.00 H new ATOM 764 N LYS A 49 9.746 -3.945 10.952 1.00 0.00 N ATOM 765 CA LYS A 49 8.681 -4.754 10.347 1.00 0.00 C ATOM 766 C LYS A 49 7.773 -3.889 9.458 1.00 0.00 C ATOM 767 O LYS A 49 7.552 -2.702 9.711 1.00 0.00 O ATOM 768 CB LYS A 49 7.896 -5.499 11.449 1.00 0.00 C ATOM 769 CG LYS A 49 7.121 -6.732 10.948 1.00 0.00 C ATOM 770 CD LYS A 49 6.120 -7.284 11.977 1.00 0.00 C ATOM 771 CE LYS A 49 6.724 -7.594 13.354 1.00 0.00 C ATOM 772 NZ LYS A 49 7.600 -8.794 13.332 1.00 0.00 N ATOM 0 H LYS A 49 9.406 -3.067 11.345 1.00 0.00 H new ATOM 0 HA LYS A 49 9.126 -5.506 9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.592 -5.813 12.227 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.194 -4.805 11.911 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.585 -6.469 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.831 -7.516 10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.313 -6.562 12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.673 -8.194 11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.299 -6.734 13.697 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.920 -7.748 14.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.282 -8.741 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.019 -9.650 13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.114 -8.832 12.429 1.00 0.00 H new ATOM 786 N ASP A 50 7.256 -4.515 8.408 1.00 0.00 N ATOM 787 CA ASP A 50 6.326 -3.949 7.437 1.00 0.00 C ATOM 788 C ASP A 50 4.896 -4.430 7.737 1.00 0.00 C ATOM 789 O ASP A 50 4.713 -5.581 8.128 1.00 0.00 O ATOM 790 CB ASP A 50 6.736 -4.401 6.029 1.00 0.00 C ATOM 791 CG ASP A 50 8.124 -3.938 5.542 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.805 -3.136 6.227 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.541 -4.407 4.457 1.00 0.00 O ATOM 0 H ASP A 50 7.487 -5.486 8.199 1.00 0.00 H new ATOM 0 HA ASP A 50 6.353 -2.861 7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.708 -5.490 5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.988 -4.042 5.322 1.00 0.00 H new ATOM 798 N TYR A 51 3.891 -3.568 7.548 1.00 0.00 N ATOM 799 CA TYR A 51 2.498 -3.778 7.976 1.00 0.00 C ATOM 800 C TYR A 51 1.471 -3.288 6.938 1.00 0.00 C ATOM 801 O TYR A 51 1.703 -2.306 6.228 1.00 0.00 O ATOM 802 CB TYR A 51 2.250 -3.001 9.280 1.00 0.00 C ATOM 803 CG TYR A 51 3.065 -3.412 10.489 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.363 -2.901 10.662 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.489 -4.208 11.497 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.086 -3.189 11.831 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.205 -4.497 12.674 1.00 0.00 C ATOM 808 CZ TYR A 51 4.510 -3.982 12.847 1.00 0.00 C ATOM 809 OH TYR A 51 5.214 -4.248 13.983 1.00 0.00 O ATOM 0 H TYR A 51 4.027 -2.673 7.077 1.00 0.00 H new ATOM 0 HA TYR A 51 2.367 -4.852 8.106 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.439 -1.945 9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.194 -3.094 9.535 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.806 -2.285 9.893 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.491 -4.600 11.366 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.087 -2.802 11.953 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.759 -5.110 13.443 1.00 0.00 H new ATOM 0 HH TYR A 51 4.673 -4.806 14.580 1.00 0.00 H new ATOM 819 N GLY A 52 0.301 -3.930 6.877 1.00 0.00 N ATOM 820 CA GLY A 52 -0.842 -3.442 6.095 1.00 0.00 C ATOM 821 C GLY A 52 -0.717 -3.674 4.593 1.00 0.00 C ATOM 822 O GLY A 52 0.256 -4.241 4.100 1.00 0.00 O ATOM 0 H GLY A 52 0.118 -4.805 7.369 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.748 -3.931 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.963 -2.374 6.277 1.00 0.00 H new ATOM 826 N LEU A 53 -1.699 -3.194 3.831 1.00 0.00 N ATOM 827 CA LEU A 53 -1.841 -3.541 2.411 1.00 0.00 C ATOM 828 C LEU A 53 -0.700 -3.086 1.489 1.00 0.00 C ATOM 829 O LEU A 53 -0.464 -3.703 0.452 1.00 0.00 O ATOM 830 CB LEU A 53 -3.177 -2.955 1.912 1.00 0.00 C ATOM 831 CG LEU A 53 -3.866 -3.893 0.914 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.764 -4.864 1.663 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.741 -3.131 -0.066 1.00 0.00 C ATOM 0 H LEU A 53 -2.417 -2.556 4.175 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.809 -4.629 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.837 -2.778 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.998 -1.989 1.440 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.079 -4.413 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.253 -5.530 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.164 -5.452 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.520 -4.307 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.211 -3.832 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.512 -2.588 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.129 -2.425 -0.627 1.00 0.00 H new ATOM 845 N PHE A 54 0.029 -2.046 1.886 1.00 0.00 N ATOM 846 CA PHE A 54 1.178 -1.513 1.151 1.00 0.00 C ATOM 847 C PHE A 54 2.510 -1.910 1.814 1.00 0.00 C ATOM 848 O PHE A 54 3.554 -1.413 1.401 1.00 0.00 O ATOM 849 CB PHE A 54 1.011 0.011 1.011 1.00 0.00 C ATOM 850 CG PHE A 54 -0.238 0.457 0.266 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.481 0.488 0.927 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.161 0.861 -1.080 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.640 0.897 0.251 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.320 1.294 -1.750 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.560 1.308 -1.089 1.00 0.00 C ATOM 0 H PHE A 54 -0.166 -1.537 2.748 1.00 0.00 H new ATOM 0 HA PHE A 54 1.211 -1.950 0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.998 0.453 2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.885 0.411 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.543 0.194 1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.786 0.839 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.592 0.896 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.256 1.618 -2.778 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.448 1.634 -1.610 1.00 0.00 H new ATOM 865 N GLN A 55 2.482 -2.776 2.840 1.00 0.00 N ATOM 866 CA GLN A 55 3.647 -3.249 3.598 1.00 0.00 C ATOM 867 C GLN A 55 4.512 -2.070 4.095 1.00 0.00 C ATOM 868 O GLN A 55 5.680 -1.907 3.736 1.00 0.00 O ATOM 869 CB GLN A 55 4.423 -4.307 2.786 1.00 0.00 C ATOM 870 CG GLN A 55 3.659 -5.630 2.612 1.00 0.00 C ATOM 871 CD GLN A 55 3.340 -6.312 3.942 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.177 -6.946 4.570 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.129 -6.193 4.441 1.00 0.00 N ATOM 0 H GLN A 55 1.609 -3.182 3.177 1.00 0.00 H new ATOM 0 HA GLN A 55 3.308 -3.752 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.656 -3.899 1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.373 -4.508 3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.730 -5.439 2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.250 -6.307 1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.417 -5.668 3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.902 -6.625 5.336 1.00 0.00 H new ATOM 882 N ILE A 56 3.899 -1.204 4.904 1.00 0.00 N ATOM 883 CA ILE A 56 4.460 0.069 5.374 1.00 0.00 C ATOM 884 C ILE A 56 5.285 -0.152 6.644 1.00 0.00 C ATOM 885 O ILE A 56 4.866 -0.878 7.545 1.00 0.00 O ATOM 886 CB ILE A 56 3.328 1.099 5.596 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.432 1.183 4.337 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.935 2.468 5.911 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.386 2.299 4.338 1.00 0.00 C ATOM 0 H ILE A 56 2.961 -1.375 5.265 1.00 0.00 H new ATOM 0 HA ILE A 56 5.129 0.471 4.613 1.00 0.00 H new ATOM 0 HB ILE A 56 2.712 0.782 6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.074 1.313 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.918 0.229 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.136 3.193 6.067 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.543 2.398 6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.559 2.790 5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.816 2.264 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.711 2.164 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.884 3.265 4.422 1.00 0.00 H new ATOM 901 N ASN A 57 6.453 0.484 6.724 1.00 0.00 N ATOM 902 CA ASN A 57 7.450 0.211 7.756 1.00 0.00 C ATOM 903 C ASN A 57 7.344 1.125 8.992 1.00 0.00 C ATOM 904 O ASN A 57 7.176 2.344 8.880 1.00 0.00 O ATOM 905 CB ASN A 57 8.827 0.339 7.110 1.00 0.00 C ATOM 906 CG ASN A 57 9.918 -0.162 8.037 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.467 0.581 8.836 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.240 -1.433 7.966 1.00 0.00 N ATOM 0 H ASN A 57 6.736 1.211 6.067 1.00 0.00 H new ATOM 0 HA ASN A 57 7.274 -0.795 8.137 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.849 -0.228 6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.015 1.381 6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.958 -1.813 8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.772 -2.041 7.293 1.00 0.00 H new ATOM 915 N ASP A 58 7.517 0.523 10.171 1.00 0.00 N ATOM 916 CA ASP A 58 7.401 1.166 11.490 1.00 0.00 C ATOM 917 C ASP A 58 8.463 2.224 11.836 1.00 0.00 C ATOM 918 O ASP A 58 8.318 2.929 12.837 1.00 0.00 O ATOM 919 CB ASP A 58 7.393 0.096 12.588 1.00 0.00 C ATOM 920 CG ASP A 58 8.787 -0.479 12.910 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.250 -1.377 12.173 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.405 -0.042 13.909 1.00 0.00 O ATOM 0 H ASP A 58 7.752 -0.467 10.240 1.00 0.00 H new ATOM 0 HA ASP A 58 6.461 1.716 11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.969 0.524 13.496 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.736 -0.719 12.283 1.00 0.00 H new ATOM 927 N ARG A 59 9.531 2.328 11.039 1.00 0.00 N ATOM 928 CA ARG A 59 10.665 3.230 11.273 1.00 0.00 C ATOM 929 C ARG A 59 10.591 4.516 10.434 1.00 0.00 C ATOM 930 O ARG A 59 11.308 5.473 10.726 1.00 0.00 O ATOM 931 CB ARG A 59 11.952 2.435 10.986 1.00 0.00 C ATOM 932 CG ARG A 59 13.233 3.109 11.503 1.00 0.00 C ATOM 933 CD ARG A 59 14.428 2.146 11.485 1.00 0.00 C ATOM 934 NE ARG A 59 14.282 1.070 12.486 1.00 0.00 N ATOM 935 CZ ARG A 59 14.998 -0.047 12.553 1.00 0.00 C ATOM 936 NH1 ARG A 59 15.972 -0.306 11.710 1.00 0.00 N ATOM 937 NH2 ARG A 59 14.746 -0.944 13.480 1.00 0.00 N ATOM 0 H ARG A 59 9.634 1.772 10.190 1.00 0.00 H new ATOM 0 HA ARG A 59 10.647 3.572 12.308 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.865 1.448 11.439 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.042 2.285 9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.459 3.981 10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.070 3.468 12.519 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.526 1.707 10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.345 2.702 11.680 1.00 0.00 H new ATOM 0 HE ARG A 59 13.560 1.197 13.196 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.200 0.362 10.973 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.500 -1.175 11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.997 -0.785 14.154 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.300 -1.799 13.526 1.00 0.00 H new ATOM 951 N TYR A 60 9.701 4.573 9.435 1.00 0.00 N ATOM 952 CA TYR A 60 9.716 5.624 8.402 1.00 0.00 C ATOM 953 C TYR A 60 8.382 6.321 8.099 1.00 0.00 C ATOM 954 O TYR A 60 8.401 7.486 7.695 1.00 0.00 O ATOM 955 CB TYR A 60 10.248 4.984 7.110 1.00 0.00 C ATOM 956 CG TYR A 60 11.639 4.369 7.227 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.714 5.112 7.759 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.845 3.023 6.863 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.977 4.514 7.939 1.00 0.00 C ATOM 960 CE2 TYR A 60 13.102 2.416 7.045 1.00 0.00 C ATOM 961 CZ TYR A 60 14.173 3.159 7.589 1.00 0.00 C ATOM 962 OH TYR A 60 15.385 2.565 7.782 1.00 0.00 O ATOM 0 H TYR A 60 8.949 3.893 9.318 1.00 0.00 H new ATOM 0 HA TYR A 60 10.345 6.421 8.800 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.550 4.211 6.790 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.266 5.741 6.326 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.568 6.147 8.030 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.031 2.452 6.441 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.795 5.091 8.344 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.247 1.382 6.769 1.00 0.00 H new ATOM 0 HH TYR A 60 15.342 1.631 7.487 1.00 0.00 H new ATOM 972 N TRP A 61 7.238 5.659 8.307 1.00 0.00 N ATOM 973 CA TRP A 61 5.940 6.151 7.822 1.00 0.00 C ATOM 974 C TRP A 61 4.823 5.954 8.858 1.00 0.00 C ATOM 975 O TRP A 61 4.188 6.929 9.268 1.00 0.00 O ATOM 976 CB TRP A 61 5.623 5.444 6.497 1.00 0.00 C ATOM 977 CG TRP A 61 6.684 5.427 5.442 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.315 4.323 4.980 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.175 6.533 4.626 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.197 4.675 3.977 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.119 6.021 3.685 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.848 7.901 4.528 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.712 6.829 2.701 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.398 8.708 3.517 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.339 8.182 2.612 1.00 0.00 C ATOM 0 H TRP A 61 7.184 4.774 8.812 1.00 0.00 H new ATOM 0 HA TRP A 61 5.999 7.227 7.658 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.360 4.411 6.724 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.736 5.913 6.072 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.153 3.318 5.341 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.827 4.022 3.511 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.164 8.336 5.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.444 6.417 2.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.096 9.741 3.434 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.773 8.815 1.852 1.00 0.00 H new ATOM 996 N CYS A 62 4.621 4.713 9.314 1.00 0.00 N ATOM 997 CA CYS A 62 3.785 4.372 10.472 1.00 0.00 C ATOM 998 C CYS A 62 4.640 4.170 11.737 1.00 0.00 C ATOM 999 O CYS A 62 5.865 4.192 11.677 1.00 0.00 O ATOM 1000 CB CYS A 62 2.935 3.134 10.162 1.00 0.00 C ATOM 1001 SG CYS A 62 3.827 1.733 9.441 1.00 0.00 S ATOM 0 H CYS A 62 5.046 3.895 8.876 1.00 0.00 H new ATOM 0 HA CYS A 62 3.112 5.206 10.672 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.458 2.802 11.085 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.138 3.425 9.478 1.00 0.00 H new ATOM 0 HG CYS A 62 2.999 0.754 9.229 1.00 0.00 H new ATOM 1006 N SER A 63 4.002 3.962 12.889 1.00 0.00 N ATOM 1007 CA SER A 63 4.671 3.723 14.176 1.00 0.00 C ATOM 1008 C SER A 63 4.138 2.477 14.900 1.00 0.00 C ATOM 1009 O SER A 63 2.936 2.211 14.884 1.00 0.00 O ATOM 1010 CB SER A 63 4.478 4.941 15.075 1.00 0.00 C ATOM 1011 OG SER A 63 5.636 5.125 15.879 1.00 0.00 O ATOM 0 H SER A 63 2.984 3.954 12.959 1.00 0.00 H new ATOM 0 HA SER A 63 5.727 3.553 13.966 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.298 5.829 14.469 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.601 4.804 15.708 1.00 0.00 H new ATOM 0 HG SER A 63 5.513 5.908 16.455 1.00 0.00 H new ATOM 1017 N LYS A 64 5.028 1.707 15.532 1.00 0.00 N ATOM 1018 CA LYS A 64 4.726 0.384 16.121 1.00 0.00 C ATOM 1019 C LYS A 64 4.152 0.401 17.550 1.00 0.00 C ATOM 1020 O LYS A 64 3.688 -0.638 18.033 1.00 0.00 O ATOM 1021 CB LYS A 64 5.983 -0.504 16.087 1.00 0.00 C ATOM 1022 CG LYS A 64 7.206 0.174 16.730 1.00 0.00 C ATOM 1023 CD LYS A 64 8.242 -0.864 17.165 1.00 0.00 C ATOM 1024 CE LYS A 64 9.528 -0.144 17.580 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.571 -1.098 18.038 1.00 0.00 N ATOM 0 H LYS A 64 6.002 1.985 15.655 1.00 0.00 H new ATOM 0 HA LYS A 64 3.929 -0.020 15.497 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.776 -1.440 16.607 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.215 -0.758 15.053 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.657 0.868 16.020 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.890 0.761 17.592 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.857 -1.455 17.996 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.446 -1.557 16.349 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.909 0.434 16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.307 0.564 18.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.426 -0.573 18.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.217 -1.632 18.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.801 -1.758 17.267 1.00 0.00 H new ATOM 1039 N GLY A 65 4.214 1.542 18.244 1.00 0.00 N ATOM 1040 CA GLY A 65 3.791 1.678 19.645 1.00 0.00 C ATOM 1041 C GLY A 65 2.268 1.738 19.800 1.00 0.00 C ATOM 1042 O GLY A 65 1.527 1.398 18.878 1.00 0.00 O ATOM 0 H GLY A 65 4.565 2.412 17.843 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.178 0.837 20.220 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.231 2.582 20.067 1.00 0.00 H new ATOM 1046 N ALA A 66 1.789 2.174 20.968 1.00 0.00 N ATOM 1047 CA ALA A 66 0.353 2.285 21.269 1.00 0.00 C ATOM 1048 C ALA A 66 -0.330 3.519 20.638 1.00 0.00 C ATOM 1049 O ALA A 66 -1.559 3.616 20.649 1.00 0.00 O ATOM 1050 CB ALA A 66 0.178 2.258 22.793 1.00 0.00 C ATOM 0 H ALA A 66 2.389 2.463 21.740 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.153 1.435 20.811 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.881 2.339 23.039 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.572 1.321 23.188 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.719 3.094 23.236 1.00 0.00 H new ATOM 1056 N SER A 67 0.440 4.415 20.019 1.00 0.00 N ATOM 1057 CA SER A 67 -0.016 5.686 19.432 1.00 0.00 C ATOM 1058 C SER A 67 0.664 5.958 18.071 1.00 0.00 C ATOM 1059 O SER A 67 1.810 5.532 17.871 1.00 0.00 O ATOM 1060 CB SER A 67 0.295 6.847 20.395 1.00 0.00 C ATOM 1061 OG SER A 67 -0.433 6.729 21.613 1.00 0.00 O ATOM 0 H SER A 67 1.444 4.273 19.906 1.00 0.00 H new ATOM 0 HA SER A 67 -1.091 5.611 19.270 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.363 6.866 20.610 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.050 7.794 19.915 1.00 0.00 H new ATOM 0 HG SER A 67 -0.211 7.481 22.201 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.004 6.669 17.135 1.00 0.00 N ATOM 1068 CA PRO A 68 0.597 7.130 15.882 1.00 0.00 C ATOM 1069 C PRO A 68 1.625 8.243 16.148 1.00 0.00 C ATOM 1070 O PRO A 68 1.563 8.909 17.184 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.579 7.651 15.051 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.559 8.164 16.102 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.376 7.162 17.239 1.00 0.00 C ATOM 0 HA PRO A 68 1.138 6.336 15.367 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.269 8.444 14.370 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.020 6.862 14.442 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.323 9.181 16.415 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.584 8.174 15.731 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.547 7.636 18.206 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.091 6.343 17.155 1.00 0.00 H new ATOM 1081 N GLY A 69 2.565 8.469 15.215 1.00 0.00 N ATOM 1082 CA GLY A 69 3.608 9.490 15.429 1.00 0.00 C ATOM 1083 C GLY A 69 4.826 9.496 14.501 1.00 0.00 C ATOM 1084 O GLY A 69 5.923 9.800 14.969 1.00 0.00 O ATOM 0 H GLY A 69 2.626 7.973 14.326 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.133 10.469 15.359 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.971 9.384 16.451 1.00 0.00 H new ATOM 1088 N LYS A 70 4.652 9.206 13.206 1.00 0.00 N ATOM 1089 CA LYS A 70 5.703 9.353 12.173 1.00 0.00 C ATOM 1090 C LYS A 70 5.212 10.182 10.966 1.00 0.00 C ATOM 1091 O LYS A 70 4.188 10.860 11.063 1.00 0.00 O ATOM 1092 CB LYS A 70 6.285 7.968 11.805 1.00 0.00 C ATOM 1093 CG LYS A 70 7.052 7.358 12.989 1.00 0.00 C ATOM 1094 CD LYS A 70 8.253 6.506 12.562 1.00 0.00 C ATOM 1095 CE LYS A 70 9.090 6.086 13.781 1.00 0.00 C ATOM 1096 NZ LYS A 70 8.393 5.096 14.642 1.00 0.00 N ATOM 0 H LYS A 70 3.768 8.858 12.834 1.00 0.00 H new ATOM 0 HA LYS A 70 6.530 9.934 12.582 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.478 7.299 11.507 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.951 8.066 10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.398 8.161 13.640 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.370 6.743 13.576 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.905 5.619 12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.874 7.070 11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.035 5.663 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.332 6.969 14.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.956 4.924 15.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.459 5.466 14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.276 4.204 14.120 1.00 0.00 H new ATOM 1110 N ASP A 71 5.931 10.155 9.839 1.00 0.00 N ATOM 1111 CA ASP A 71 5.733 11.050 8.679 1.00 0.00 C ATOM 1112 C ASP A 71 4.325 10.997 8.045 1.00 0.00 C ATOM 1113 O ASP A 71 3.905 11.964 7.407 1.00 0.00 O ATOM 1114 CB ASP A 71 6.810 10.739 7.627 1.00 0.00 C ATOM 1115 CG ASP A 71 6.805 11.743 6.465 1.00 0.00 C ATOM 1116 OD1 ASP A 71 7.329 12.870 6.619 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.282 11.420 5.375 1.00 0.00 O ATOM 0 H ASP A 71 6.692 9.491 9.698 1.00 0.00 H new ATOM 0 HA ASP A 71 5.826 12.069 9.054 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.790 10.744 8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.651 9.734 7.235 1.00 0.00 H new ATOM 1122 N CYS A 72 3.583 9.904 8.256 1.00 0.00 N ATOM 1123 CA CYS A 72 2.200 9.732 7.791 1.00 0.00 C ATOM 1124 C CYS A 72 1.151 9.751 8.917 1.00 0.00 C ATOM 1125 O CYS A 72 -0.033 9.541 8.651 1.00 0.00 O ATOM 1126 CB CYS A 72 2.130 8.457 6.952 1.00 0.00 C ATOM 1127 SG CYS A 72 3.285 8.449 5.550 1.00 0.00 S ATOM 0 H CYS A 72 3.935 9.094 8.767 1.00 0.00 H new ATOM 0 HA CYS A 72 1.938 10.596 7.180 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.340 7.599 7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.114 8.334 6.577 1.00 0.00 H new ATOM 0 HG CYS A 72 4.447 8.024 5.948 1.00 0.00 H new ATOM 1132 N ASN A 73 1.566 9.995 10.168 1.00 0.00 N ATOM 1133 CA ASN A 73 0.695 10.261 11.324 1.00 0.00 C ATOM 1134 C ASN A 73 -0.304 9.116 11.601 1.00 0.00 C ATOM 1135 O ASN A 73 -1.494 9.339 11.827 1.00 0.00 O ATOM 1136 CB ASN A 73 0.022 11.642 11.182 1.00 0.00 C ATOM 1137 CG ASN A 73 1.030 12.773 10.992 1.00 0.00 C ATOM 1138 OD1 ASN A 73 1.299 13.212 9.881 1.00 0.00 O ATOM 1139 ND2 ASN A 73 1.610 13.279 12.068 1.00 0.00 N ATOM 0 H ASN A 73 2.556 10.013 10.413 1.00 0.00 H new ATOM 0 HA ASN A 73 1.322 10.295 12.215 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.661 11.623 10.333 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.579 11.842 12.069 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.285 14.038 11.974 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.383 12.910 12.991 1.00 0.00 H new ATOM 1146 N VAL A 74 0.194 7.875 11.558 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.599 6.639 11.593 1.00 0.00 C ATOM 1148 C VAL A 74 0.186 5.511 12.278 1.00 0.00 C ATOM 1149 O VAL A 74 1.414 5.523 12.320 1.00 0.00 O ATOM 1150 CB VAL A 74 -1.074 6.280 10.163 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.095 5.880 9.247 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.150 5.186 10.164 1.00 0.00 C ATOM 0 H VAL A 74 1.196 7.696 11.496 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.495 6.789 12.196 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.522 7.189 9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.287 5.637 8.255 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.799 6.709 9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.603 5.010 9.664 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.450 4.970 9.139 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.749 4.282 10.623 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.016 5.528 10.731 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.534 4.556 12.859 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.006 3.452 13.668 1.00 0.00 C ATOM 1164 C LYS A 75 -0.011 2.129 12.879 1.00 0.00 C ATOM 1165 O LYS A 75 -0.998 1.803 12.223 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.882 3.404 14.928 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.285 2.619 16.102 1.00 0.00 C ATOM 1168 CD LYS A 75 -1.161 2.791 17.352 1.00 0.00 C ATOM 1169 CE LYS A 75 -2.448 1.958 17.347 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.374 2.382 18.432 1.00 0.00 N ATOM 0 H LYS A 75 -1.550 4.526 12.777 1.00 0.00 H new ATOM 0 HA LYS A 75 1.038 3.606 13.940 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.078 4.425 15.255 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.844 2.963 14.667 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.211 1.563 15.843 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.727 2.969 16.307 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.574 2.524 18.231 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.425 3.844 17.453 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.945 2.059 16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.201 0.903 17.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.904 1.557 18.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.827 2.795 19.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.039 3.091 18.063 1.00 0.00 H new ATOM 1184 N CYS A 76 1.070 1.346 12.954 1.00 0.00 N ATOM 1185 CA CYS A 76 1.239 0.058 12.254 1.00 0.00 C ATOM 1186 C CYS A 76 0.073 -0.924 12.471 1.00 0.00 C ATOM 1187 O CYS A 76 -0.326 -1.626 11.548 1.00 0.00 O ATOM 1188 CB CYS A 76 2.526 -0.607 12.754 1.00 0.00 C ATOM 1189 SG CYS A 76 4.039 0.315 12.444 1.00 0.00 S ATOM 0 H CYS A 76 1.881 1.595 13.521 1.00 0.00 H new ATOM 0 HA CYS A 76 1.275 0.283 11.188 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.436 -0.774 13.827 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.615 -1.587 12.285 1.00 0.00 H new ATOM 0 HG CYS A 76 4.129 0.587 11.176 1.00 0.00 H new ATOM 1194 N SER A 77 -0.499 -0.951 13.678 1.00 0.00 N ATOM 1195 CA SER A 77 -1.618 -1.845 14.019 1.00 0.00 C ATOM 1196 C SER A 77 -2.952 -1.391 13.393 1.00 0.00 C ATOM 1197 O SER A 77 -3.790 -2.222 13.037 1.00 0.00 O ATOM 1198 CB SER A 77 -1.729 -1.953 15.548 1.00 0.00 C ATOM 1199 OG SER A 77 -2.575 -3.025 15.936 1.00 0.00 O ATOM 0 H SER A 77 -0.202 -0.354 14.450 1.00 0.00 H new ATOM 0 HA SER A 77 -1.408 -2.828 13.597 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.737 -2.098 15.976 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.117 -1.018 15.952 1.00 0.00 H new ATOM 0 HG SER A 77 -2.623 -3.067 16.914 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.134 -0.084 13.153 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.305 0.457 12.446 1.00 0.00 C ATOM 1207 C ASP A 78 -4.317 0.090 10.951 1.00 0.00 C ATOM 1208 O ASP A 78 -5.374 0.104 10.320 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.378 1.984 12.637 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.512 2.376 13.591 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.674 2.446 13.122 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -5.236 2.607 14.792 1.00 0.00 O ATOM 0 H ASP A 78 -2.469 0.632 13.446 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.191 -0.003 12.884 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.429 2.349 13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.530 2.466 11.671 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.164 -0.302 10.395 1.00 0.00 N ATOM 1218 CA LEU A 79 -3.037 -0.766 9.011 1.00 0.00 C ATOM 1219 C LEU A 79 -3.541 -2.209 8.830 1.00 0.00 C ATOM 1220 O LEU A 79 -3.751 -2.641 7.697 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.576 -0.643 8.527 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.819 0.658 8.858 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.523 0.648 8.119 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.589 1.920 8.465 1.00 0.00 C ATOM 0 H LEU A 79 -2.280 -0.305 10.904 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.670 -0.122 8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.012 -1.475 8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.570 -0.769 7.444 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.685 0.687 9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.069 1.564 8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.109 -0.213 8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.347 0.586 7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.001 2.800 8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.776 1.912 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.539 1.948 8.999 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.756 -2.940 9.933 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.184 -4.345 9.960 1.00 0.00 C ATOM 1238 C LEU A 80 -5.714 -4.507 10.085 1.00 0.00 C ATOM 1239 O LEU A 80 -6.196 -5.619 10.325 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.447 -5.094 11.091 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.911 -4.956 11.114 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.360 -5.735 12.317 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.243 -5.445 9.821 1.00 0.00 C ATOM 0 H LEU A 80 -3.631 -2.552 10.868 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.916 -4.787 9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.837 -4.741 12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.694 -6.153 11.018 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.677 -3.895 11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.274 -5.644 12.343 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.780 -5.329 13.237 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.634 -6.786 12.226 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.163 -5.321 9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.477 -6.498 9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.614 -4.863 8.977 1.00 0.00 H new ATOM 1255 N THR A 81 -6.471 -3.406 9.978 1.00 0.00 N ATOM 1256 CA THR A 81 -7.928 -3.348 10.218 1.00 0.00 C ATOM 1257 C THR A 81 -8.745 -3.636 8.949 1.00 0.00 C ATOM 1258 O THR A 81 -8.218 -4.126 7.951 1.00 0.00 O ATOM 1259 CB THR A 81 -8.321 -2.036 10.923 1.00 0.00 C ATOM 1260 OG1 THR A 81 -8.045 -0.916 10.113 1.00 0.00 O ATOM 1261 CG2 THR A 81 -7.603 -1.861 12.263 1.00 0.00 C ATOM 0 H THR A 81 -6.079 -2.502 9.714 1.00 0.00 H new ATOM 0 HA THR A 81 -8.185 -4.155 10.904 1.00 0.00 H new ATOM 0 HB THR A 81 -9.394 -2.103 11.106 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.116 -0.636 10.248 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.913 -0.922 12.722 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.859 -2.689 12.924 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.525 -1.847 12.099 1.00 0.00 H new ATOM 1269 N ASP A 82 -10.055 -3.403 9.013 1.00 0.00 N ATOM 1270 CA ASP A 82 -11.061 -3.767 8.002 1.00 0.00 C ATOM 1271 C ASP A 82 -11.361 -2.676 6.956 1.00 0.00 C ATOM 1272 O ASP A 82 -12.194 -2.865 6.068 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.341 -4.178 8.737 1.00 0.00 C ATOM 1274 CG ASP A 82 -13.007 -3.016 9.497 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -12.421 -2.546 10.503 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -14.124 -2.599 9.108 1.00 0.00 O ATOM 0 H ASP A 82 -10.472 -2.929 9.814 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.646 -4.589 7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -13.050 -4.586 8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.107 -4.977 9.441 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.658 -1.552 7.044 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.621 -0.494 6.030 1.00 0.00 C ATOM 1283 C ASP A 83 -9.163 -0.130 5.727 1.00 0.00 C ATOM 1284 O ASP A 83 -8.388 0.232 6.613 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.440 0.736 6.463 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.685 1.743 5.317 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.855 1.836 4.380 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.716 2.454 5.378 1.00 0.00 O ATOM 0 H ASP A 83 -10.074 -1.341 7.853 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.085 -0.865 5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.401 0.404 6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.920 1.242 7.277 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.794 -0.227 4.449 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.429 -0.004 3.959 1.00 0.00 C ATOM 1295 C ILE A 84 -6.981 1.460 4.070 1.00 0.00 C ATOM 1296 O ILE A 84 -5.789 1.717 3.915 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.276 -0.540 2.511 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.969 0.382 1.489 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.825 -1.971 2.399 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.735 0.021 0.022 1.00 0.00 C ATOM 0 H ILE A 84 -9.450 -0.469 3.706 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.762 -0.568 4.611 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.211 -0.555 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.042 0.371 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.626 1.403 1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.708 -2.327 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.276 -2.625 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.882 -1.977 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.264 0.729 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.668 0.062 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.106 -0.986 -0.168 1.00 0.00 H new ATOM 1312 N THR A 85 -7.896 2.416 4.311 1.00 0.00 N ATOM 1313 CA THR A 85 -7.636 3.870 4.256 1.00 0.00 C ATOM 1314 C THR A 85 -6.486 4.326 5.148 1.00 0.00 C ATOM 1315 O THR A 85 -5.763 5.243 4.772 1.00 0.00 O ATOM 1316 CB THR A 85 -8.922 4.666 4.509 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.684 6.032 4.254 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.456 4.537 5.933 1.00 0.00 C ATOM 0 H THR A 85 -8.861 2.196 4.556 1.00 0.00 H new ATOM 0 HA THR A 85 -7.300 4.084 3.241 1.00 0.00 H new ATOM 0 HB THR A 85 -9.673 4.249 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.264 6.577 4.825 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.367 5.127 6.035 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.676 3.491 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.707 4.900 6.637 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.239 3.663 6.281 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.104 3.991 7.155 1.00 0.00 C ATOM 1328 C LYS A 86 -3.758 3.748 6.441 1.00 0.00 C ATOM 1329 O LYS A 86 -2.805 4.506 6.625 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.186 3.196 8.475 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.444 3.444 9.329 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.615 2.528 8.948 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.792 2.623 9.928 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.569 1.812 11.151 1.00 0.00 N ATOM 0 H LYS A 86 -6.813 2.890 6.618 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.160 5.053 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.132 2.133 8.241 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.309 3.435 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.199 3.293 10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.752 4.484 9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.961 2.786 7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.265 1.497 8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.946 3.665 10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.703 2.288 9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.428 1.824 11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.347 0.832 10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.776 2.211 11.692 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.698 2.729 5.577 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.538 2.396 4.753 1.00 0.00 C ATOM 1350 C ALA A 87 -2.566 3.133 3.406 1.00 0.00 C ATOM 1351 O ALA A 87 -1.533 3.620 2.961 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.503 0.870 4.578 1.00 0.00 C ATOM 0 H ALA A 87 -4.483 2.094 5.430 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.624 2.726 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.645 0.594 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.420 0.394 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.419 0.539 4.089 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.738 3.280 2.784 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.885 3.899 1.468 1.00 0.00 C ATOM 1360 C ALA A 88 -3.625 5.412 1.482 1.00 0.00 C ATOM 1361 O ALA A 88 -2.930 5.922 0.611 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.276 3.557 0.923 1.00 0.00 C ATOM 0 H ALA A 88 -4.622 2.968 3.187 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.121 3.493 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.404 4.011 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.378 2.475 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.037 3.941 1.602 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.095 6.141 2.494 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.803 7.578 2.633 1.00 0.00 C ATOM 1370 C LYS A 89 -2.334 7.827 3.023 1.00 0.00 C ATOM 1371 O LYS A 89 -1.725 8.808 2.596 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.768 8.188 3.659 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.259 8.048 3.292 1.00 0.00 C ATOM 1374 CD LYS A 89 -6.729 8.970 2.157 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.108 8.563 1.605 1.00 0.00 C ATOM 1376 NZ LYS A 89 -9.165 8.484 2.648 1.00 0.00 N ATOM 0 H LYS A 89 -4.683 5.762 3.236 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.951 8.064 1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.598 7.714 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.533 9.246 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.453 7.014 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.858 8.252 4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.775 9.996 2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.997 8.951 1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.412 9.282 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.022 7.595 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.098 8.425 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.012 7.639 3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.126 9.333 3.247 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.732 6.887 3.760 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.292 6.852 4.041 1.00 0.00 C ATOM 1392 C CYS A 90 0.519 6.561 2.765 1.00 0.00 C ATOM 1393 O CYS A 90 1.531 7.214 2.517 1.00 0.00 O ATOM 1394 CB CYS A 90 -0.068 5.836 5.167 1.00 0.00 C ATOM 1395 SG CYS A 90 1.645 5.506 5.634 1.00 0.00 S ATOM 0 H CYS A 90 -2.242 6.114 4.187 1.00 0.00 H new ATOM 0 HA CYS A 90 0.070 7.824 4.376 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.600 6.186 6.052 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.527 4.893 4.871 1.00 0.00 H new ATOM 0 HG CYS A 90 2.390 6.516 5.295 1.00 0.00 H new ATOM 1400 N ALA A 91 0.020 5.694 1.881 1.00 0.00 N ATOM 1401 CA ALA A 91 0.579 5.462 0.551 1.00 0.00 C ATOM 1402 C ALA A 91 0.547 6.722 -0.332 1.00 0.00 C ATOM 1403 O ALA A 91 1.547 7.005 -0.991 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.147 4.274 -0.083 1.00 0.00 C ATOM 0 H ALA A 91 -0.802 5.122 2.076 1.00 0.00 H new ATOM 0 HA ALA A 91 1.638 5.220 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.259 4.088 -1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.007 3.389 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.211 4.498 -0.162 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.510 7.552 -0.285 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.489 8.867 -0.948 1.00 0.00 C ATOM 1412 C LYS A 92 0.593 9.798 -0.365 1.00 0.00 C ATOM 1413 O LYS A 92 1.299 10.472 -1.113 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.859 9.568 -0.893 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.095 8.740 -1.269 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.040 7.938 -2.577 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.639 8.741 -3.827 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.597 9.835 -4.144 1.00 0.00 N ATOM 0 H LYS A 92 -1.381 7.338 0.200 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.245 8.666 -1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.003 9.946 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.820 10.434 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.293 8.043 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.948 9.416 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.334 7.118 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.019 7.492 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.647 9.166 -3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.571 8.066 -4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.226 10.404 -4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.514 9.426 -4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.722 10.440 -3.308 1.00 0.00 H new ATOM 1432 N LYS A 93 0.771 9.806 0.963 1.00 0.00 N ATOM 1433 CA LYS A 93 1.808 10.591 1.656 1.00 0.00 C ATOM 1434 C LYS A 93 3.243 10.094 1.369 1.00 0.00 C ATOM 1435 O LYS A 93 4.185 10.884 1.415 1.00 0.00 O ATOM 1436 CB LYS A 93 1.464 10.631 3.158 1.00 0.00 C ATOM 1437 CG LYS A 93 2.395 11.487 4.038 1.00 0.00 C ATOM 1438 CD LYS A 93 2.471 12.960 3.610 1.00 0.00 C ATOM 1439 CE LYS A 93 3.134 13.829 4.688 1.00 0.00 C ATOM 1440 NZ LYS A 93 4.597 13.598 4.788 1.00 0.00 N ATOM 0 H LYS A 93 0.190 9.259 1.599 1.00 0.00 H new ATOM 0 HA LYS A 93 1.806 11.608 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.446 11.005 3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.472 9.610 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.051 11.436 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.397 11.059 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.034 13.041 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.467 13.333 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.950 14.880 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.670 13.621 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.998 14.221 5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.775 12.606 5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.045 13.805 3.872 1.00 0.00 H new ATOM 1454 N ILE A 94 3.417 8.822 0.998 1.00 0.00 N ATOM 1455 CA ILE A 94 4.683 8.289 0.458 1.00 0.00 C ATOM 1456 C ILE A 94 4.871 8.753 -0.995 1.00 0.00 C ATOM 1457 O ILE A 94 5.937 9.250 -1.354 1.00 0.00 O ATOM 1458 CB ILE A 94 4.719 6.747 0.578 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.753 6.310 2.058 1.00 0.00 C ATOM 1460 CG2 ILE A 94 5.957 6.203 -0.158 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.419 4.833 2.302 1.00 0.00 C ATOM 0 H ILE A 94 2.678 8.122 1.063 1.00 0.00 H new ATOM 0 HA ILE A 94 5.515 8.679 1.044 1.00 0.00 H new ATOM 0 HB ILE A 94 3.815 6.341 0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.746 6.514 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.049 6.924 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 94 5.982 5.117 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.908 6.484 -1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.859 6.623 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.468 4.620 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.414 4.622 1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.137 4.206 1.774 1.00 0.00 H new ATOM 1473 N TYR A 95 3.821 8.663 -1.816 1.00 0.00 N ATOM 1474 CA TYR A 95 3.811 9.050 -3.237 1.00 0.00 C ATOM 1475 C TYR A 95 4.202 10.521 -3.486 1.00 0.00 C ATOM 1476 O TYR A 95 4.762 10.842 -4.536 1.00 0.00 O ATOM 1477 CB TYR A 95 2.450 8.641 -3.838 1.00 0.00 C ATOM 1478 CG TYR A 95 1.915 9.436 -5.018 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.365 10.718 -4.809 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.891 8.873 -6.308 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.836 11.449 -5.888 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.365 9.597 -7.394 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.838 10.894 -7.188 1.00 0.00 C ATOM 1484 OH TYR A 95 0.324 11.605 -8.230 1.00 0.00 O ATOM 0 H TYR A 95 2.919 8.306 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 95 4.599 8.510 -3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.522 7.598 -4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.707 8.688 -3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.350 11.141 -3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.279 7.878 -6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.428 12.435 -5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.364 9.163 -8.383 1.00 0.00 H new ATOM 0 HH TYR A 95 0.403 11.081 -9.054 1.00 0.00 H new ATOM 1494 N LYS A 96 4.014 11.395 -2.489 1.00 0.00 N ATOM 1495 CA LYS A 96 4.521 12.776 -2.457 1.00 0.00 C ATOM 1496 C LYS A 96 6.051 12.897 -2.639 1.00 0.00 C ATOM 1497 O LYS A 96 6.520 13.912 -3.161 1.00 0.00 O ATOM 1498 CB LYS A 96 4.125 13.385 -1.099 1.00 0.00 C ATOM 1499 CG LYS A 96 2.636 13.743 -0.952 1.00 0.00 C ATOM 1500 CD LYS A 96 2.215 14.940 -1.817 1.00 0.00 C ATOM 1501 CE LYS A 96 0.746 15.292 -1.541 1.00 0.00 C ATOM 1502 NZ LYS A 96 0.299 16.461 -2.344 1.00 0.00 N ATOM 0 H LYS A 96 3.485 11.152 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 96 4.079 13.305 -3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.393 12.681 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.717 14.286 -0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.032 12.877 -1.222 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.424 13.966 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.851 15.798 -1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.349 14.703 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.117 14.432 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.617 15.508 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.698 16.668 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.883 17.288 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.398 16.245 -3.356 1.00 0.00 H new ATOM 1516 N ARG A 97 6.818 11.876 -2.228 1.00 0.00 N ATOM 1517 CA ARG A 97 8.284 11.798 -2.365 1.00 0.00 C ATOM 1518 C ARG A 97 8.738 10.662 -3.297 1.00 0.00 C ATOM 1519 O ARG A 97 9.736 10.806 -4.002 1.00 0.00 O ATOM 1520 CB ARG A 97 8.938 11.638 -0.993 1.00 0.00 C ATOM 1521 CG ARG A 97 8.680 12.853 -0.082 1.00 0.00 C ATOM 1522 CD ARG A 97 9.731 12.850 1.028 1.00 0.00 C ATOM 1523 NE ARG A 97 9.356 13.681 2.192 1.00 0.00 N ATOM 1524 CZ ARG A 97 8.630 13.292 3.236 1.00 0.00 C ATOM 1525 NH1 ARG A 97 7.994 12.143 3.248 1.00 0.00 N ATOM 1526 NH2 ARG A 97 8.528 14.054 4.302 1.00 0.00 N ATOM 0 H ARG A 97 6.423 11.052 -1.775 1.00 0.00 H new ATOM 0 HA ARG A 97 8.605 12.735 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.555 10.738 -0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.012 11.501 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.737 13.778 -0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.678 12.803 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.895 11.825 1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.677 13.210 0.624 1.00 0.00 H new ATOM 0 HE ARG A 97 9.686 14.646 2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.049 11.521 2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.445 11.872 4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.008 14.953 4.334 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.969 13.746 5.097 1.00 0.00 H new ATOM 1540 N HIS A 98 7.990 9.557 -3.330 1.00 0.00 N ATOM 1541 CA HIS A 98 8.316 8.313 -4.036 1.00 0.00 C ATOM 1542 C HIS A 98 7.039 7.673 -4.625 1.00 0.00 C ATOM 1543 O HIS A 98 6.434 6.796 -4.003 1.00 0.00 O ATOM 1544 CB HIS A 98 9.016 7.364 -3.045 1.00 0.00 C ATOM 1545 CG HIS A 98 10.343 7.856 -2.532 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.531 7.904 -3.267 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.582 8.315 -1.270 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.453 8.399 -2.426 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.914 8.655 -1.219 1.00 0.00 N ATOM 0 H HIS A 98 7.096 9.501 -2.842 1.00 0.00 H new ATOM 0 HA HIS A 98 8.984 8.518 -4.872 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.354 7.195 -2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.165 6.399 -3.530 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.865 8.396 -0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.488 8.569 -2.683 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.406 9.034 -0.410 1.00 0.00 H new ATOM 1557 N ARG A 99 6.609 8.123 -5.815 1.00 0.00 N ATOM 1558 CA ARG A 99 5.313 7.770 -6.426 1.00 0.00 C ATOM 1559 C ARG A 99 5.037 6.259 -6.496 1.00 0.00 C ATOM 1560 O ARG A 99 3.933 5.826 -6.170 1.00 0.00 O ATOM 1561 CB ARG A 99 5.131 8.460 -7.769 1.00 0.00 C ATOM 1562 CG ARG A 99 6.159 8.099 -8.841 1.00 0.00 C ATOM 1563 CD ARG A 99 5.790 8.964 -10.037 1.00 0.00 C ATOM 1564 NE ARG A 99 6.640 8.689 -11.210 1.00 0.00 N ATOM 1565 CZ ARG A 99 7.851 9.181 -11.457 1.00 0.00 C ATOM 1566 NH1 ARG A 99 8.455 10.012 -10.632 1.00 0.00 N ATOM 1567 NH2 ARG A 99 8.480 8.838 -12.560 1.00 0.00 N ATOM 0 H ARG A 99 7.163 8.756 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 99 4.550 8.152 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.138 8.221 -8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.161 9.538 -7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.174 8.305 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.115 7.039 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.746 8.791 -10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.881 10.015 -9.764 1.00 0.00 H new ATOM 0 HE ARG A 99 6.258 8.052 -11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.993 10.299 -9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.384 10.368 -10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.039 8.198 -13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.409 9.212 -12.755 1.00 0.00 H new ATOM 1581 N PHE A 100 6.067 5.472 -6.822 1.00 0.00 N ATOM 1582 CA PHE A 100 6.080 4.005 -6.739 1.00 0.00 C ATOM 1583 C PHE A 100 7.437 3.438 -6.262 1.00 0.00 C ATOM 1584 O PHE A 100 7.585 2.232 -6.074 1.00 0.00 O ATOM 1585 CB PHE A 100 5.734 3.414 -8.111 1.00 0.00 C ATOM 1586 CG PHE A 100 4.420 3.860 -8.715 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.211 3.437 -8.135 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.400 4.695 -9.849 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.987 3.858 -8.674 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.172 5.121 -10.385 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.966 4.703 -9.796 1.00 0.00 C ATOM 0 H PHE A 100 6.949 5.852 -7.164 1.00 0.00 H new ATOM 0 HA PHE A 100 5.336 3.720 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.535 3.668 -8.806 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.720 2.328 -8.023 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.225 2.787 -7.273 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.327 5.008 -10.306 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.060 3.532 -8.226 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.155 5.769 -11.249 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.023 5.032 -10.206 1.00 0.00 H new ATOM 1601 N ASP A 101 8.435 4.304 -6.057 1.00 0.00 N ATOM 1602 CA ASP A 101 9.848 3.968 -5.852 1.00 0.00 C ATOM 1603 C ASP A 101 10.166 3.369 -4.470 1.00 0.00 C ATOM 1604 O ASP A 101 11.219 2.753 -4.295 1.00 0.00 O ATOM 1605 CB ASP A 101 10.699 5.236 -6.072 1.00 0.00 C ATOM 1606 CG ASP A 101 10.233 6.111 -7.251 1.00 0.00 C ATOM 1607 OD1 ASP A 101 9.187 6.790 -7.099 1.00 0.00 O ATOM 1608 OD2 ASP A 101 10.910 6.112 -8.307 1.00 0.00 O ATOM 0 H ASP A 101 8.270 5.310 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 101 10.089 3.190 -6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.682 5.834 -5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.735 4.941 -6.240 1.00 0.00 H new ATOM 1613 N ALA A 102 9.259 3.529 -3.501 1.00 0.00 N ATOM 1614 CA ALA A 102 9.395 3.017 -2.135 1.00 0.00 C ATOM 1615 C ALA A 102 9.047 1.518 -1.996 1.00 0.00 C ATOM 1616 O ALA A 102 9.226 0.947 -0.917 1.00 0.00 O ATOM 1617 CB ALA A 102 8.530 3.891 -1.216 1.00 0.00 C ATOM 0 H ALA A 102 8.385 4.033 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 102 10.444 3.078 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.612 3.532 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.873 4.924 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.490 3.838 -1.537 1.00 0.00 H new ATOM 1623 N TRP A 103 8.573 0.879 -3.073 1.00 0.00 N ATOM 1624 CA TRP A 103 8.070 -0.498 -3.081 1.00 0.00 C ATOM 1625 C TRP A 103 8.776 -1.386 -4.106 1.00 0.00 C ATOM 1626 O TRP A 103 9.049 -0.981 -5.238 1.00 0.00 O ATOM 1627 CB TRP A 103 6.561 -0.464 -3.342 1.00 0.00 C ATOM 1628 CG TRP A 103 5.749 0.215 -2.286 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.331 -0.363 -1.141 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.219 1.577 -2.256 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.547 0.520 -0.434 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.398 1.719 -1.097 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.319 2.696 -3.109 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.655 2.882 -0.838 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.589 3.872 -2.858 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.740 3.957 -1.739 1.00 0.00 C ATOM 0 H TRP A 103 8.528 1.321 -3.991 1.00 0.00 H new ATOM 0 HA TRP A 103 8.280 -0.942 -2.108 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.384 0.038 -4.293 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.204 -1.488 -3.451 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.575 -1.367 -0.827 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.127 0.312 0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.968 2.649 -3.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.029 2.949 0.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.681 4.714 -3.528 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.154 4.849 -1.573 1.00 0.00 H new ATOM 1647 N TYR A 104 9.046 -2.626 -3.701 1.00 0.00 N ATOM 1648 CA TYR A 104 9.744 -3.625 -4.506 1.00 0.00 C ATOM 1649 C TYR A 104 8.790 -4.428 -5.405 1.00 0.00 C ATOM 1650 O TYR A 104 9.140 -4.756 -6.540 1.00 0.00 O ATOM 1651 CB TYR A 104 10.539 -4.545 -3.576 1.00 0.00 C ATOM 1652 CG TYR A 104 11.595 -5.324 -4.327 1.00 0.00 C ATOM 1653 CD1 TYR A 104 12.763 -4.658 -4.738 1.00 0.00 C ATOM 1654 CD2 TYR A 104 11.391 -6.675 -4.663 1.00 0.00 C ATOM 1655 CE1 TYR A 104 13.739 -5.344 -5.487 1.00 0.00 C ATOM 1656 CE2 TYR A 104 12.365 -7.370 -5.406 1.00 0.00 C ATOM 1657 CZ TYR A 104 13.543 -6.704 -5.821 1.00 0.00 C ATOM 1658 OH TYR A 104 14.488 -7.365 -6.547 1.00 0.00 O ATOM 0 H TYR A 104 8.778 -2.972 -2.780 1.00 0.00 H new ATOM 0 HA TYR A 104 10.426 -3.108 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.012 -3.951 -2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 104 9.859 -5.238 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 104 12.912 -3.620 -4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.488 -7.179 -4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.635 -4.832 -5.806 1.00 0.00 H new ATOM 0 HE2 TYR A 104 12.213 -8.409 -5.659 1.00 0.00 H new ATOM 0 HH TYR A 104 14.202 -8.291 -6.691 1.00 0.00 H new ATOM 1668 N GLY A 105 7.556 -4.655 -4.938 1.00 0.00 N ATOM 1669 CA GLY A 105 6.482 -5.311 -5.692 1.00 0.00 C ATOM 1670 C GLY A 105 6.058 -4.529 -6.937 1.00 0.00 C ATOM 1671 O GLY A 105 5.513 -5.117 -7.868 1.00 0.00 O ATOM 0 H GLY A 105 7.270 -4.379 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.811 -6.306 -5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.618 -5.443 -5.041 1.00 0.00 H new ATOM 1675 N TRP A 106 6.352 -3.224 -6.986 1.00 0.00 N ATOM 1676 CA TRP A 106 6.218 -2.424 -8.199 1.00 0.00 C ATOM 1677 C TRP A 106 7.422 -2.628 -9.133 1.00 0.00 C ATOM 1678 O TRP A 106 7.267 -3.209 -10.206 1.00 0.00 O ATOM 1679 CB TRP A 106 5.978 -0.953 -7.844 1.00 0.00 C ATOM 1680 CG TRP A 106 5.876 -0.060 -9.041 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.770 0.165 -9.785 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.939 0.709 -9.674 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.093 0.965 -10.867 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.428 1.311 -10.860 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.286 0.962 -9.350 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 7.237 2.072 -11.716 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 9.116 1.699 -10.210 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.597 2.252 -11.397 1.00 0.00 C ATOM 0 H TRP A 106 6.690 -2.696 -6.181 1.00 0.00 H new ATOM 0 HA TRP A 106 5.343 -2.764 -8.754 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.060 -0.873 -7.261 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.791 -0.603 -7.208 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.785 -0.221 -9.568 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.427 1.262 -11.580 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.688 0.582 -8.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.822 2.515 -12.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 10.157 1.842 -9.960 1.00 0.00 H new ATOM 0 HH2 TRP A 106 9.240 2.812 -12.060 1.00 0.00 H new ATOM 1699 N LYS A 107 8.632 -2.200 -8.748 1.00 0.00 N ATOM 1700 CA LYS A 107 9.790 -2.164 -9.667 1.00 0.00 C ATOM 1701 C LYS A 107 10.231 -3.542 -10.199 1.00 0.00 C ATOM 1702 O LYS A 107 10.760 -3.618 -11.309 1.00 0.00 O ATOM 1703 CB LYS A 107 10.965 -1.380 -9.041 1.00 0.00 C ATOM 1704 CG LYS A 107 11.468 -1.969 -7.718 1.00 0.00 C ATOM 1705 CD LYS A 107 12.559 -1.123 -7.043 1.00 0.00 C ATOM 1706 CE LYS A 107 11.979 0.172 -6.453 1.00 0.00 C ATOM 1707 NZ LYS A 107 12.991 0.931 -5.674 1.00 0.00 N ATOM 0 H LYS A 107 8.840 -1.872 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 107 9.447 -1.630 -10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.790 -1.352 -9.752 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.653 -0.349 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.626 -2.074 -7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.858 -2.970 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.035 -1.704 -6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.334 -0.879 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.598 0.799 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.133 -0.070 -5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.514 1.648 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.517 0.278 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.652 1.400 -6.327 1.00 0.00 H new ATOM 1721 N ASN A 108 9.962 -4.627 -9.466 1.00 0.00 N ATOM 1722 CA ASN A 108 10.319 -5.995 -9.861 1.00 0.00 C ATOM 1723 C ASN A 108 9.326 -6.645 -10.859 1.00 0.00 C ATOM 1724 O ASN A 108 9.638 -7.691 -11.428 1.00 0.00 O ATOM 1725 CB ASN A 108 10.493 -6.826 -8.576 1.00 0.00 C ATOM 1726 CG ASN A 108 11.141 -8.188 -8.817 1.00 0.00 C ATOM 1727 OD1 ASN A 108 12.419 -8.220 -9.157 1.00 0.00 O flip ATOM 1728 ND2 ASN A 108 10.515 -9.232 -8.686 1.00 0.00 N flip ATOM 0 H ASN A 108 9.482 -4.580 -8.567 1.00 0.00 H new ATOM 0 HA ASN A 108 11.255 -5.962 -10.419 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.101 -6.263 -7.868 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.517 -6.973 -8.112 1.00 0.00 H new ATOM 0 HD21 ASN A 108 9.530 -9.206 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 108 10.979 -10.127 -8.839 1.00 0.00 H new ATOM 1735 N HIS A 109 8.161 -6.027 -11.116 1.00 0.00 N ATOM 1736 CA HIS A 109 7.083 -6.603 -11.948 1.00 0.00 C ATOM 1737 C HIS A 109 6.431 -5.604 -12.929 1.00 0.00 C ATOM 1738 O HIS A 109 6.283 -5.902 -14.115 1.00 0.00 O ATOM 1739 CB HIS A 109 6.015 -7.205 -11.018 1.00 0.00 C ATOM 1740 CG HIS A 109 6.519 -8.335 -10.160 1.00 0.00 C ATOM 1741 ND1 HIS A 109 6.663 -9.661 -10.574 1.00 0.00 N ATOM 1742 CD2 HIS A 109 6.912 -8.227 -8.858 1.00 0.00 C ATOM 1743 CE1 HIS A 109 7.140 -10.319 -9.504 1.00 0.00 C ATOM 1744 NE2 HIS A 109 7.298 -9.487 -8.460 1.00 0.00 N ATOM 0 H HIS A 109 7.936 -5.102 -10.749 1.00 0.00 H new ATOM 0 HA HIS A 109 7.541 -7.366 -12.577 1.00 0.00 H new ATOM 0 HB2 HIS A 109 5.624 -6.418 -10.373 1.00 0.00 H new ATOM 0 HB3 HIS A 109 5.182 -7.564 -11.622 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.919 -7.329 -8.258 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.366 -11.375 -9.485 1.00 0.00 H new ATOM 0 HE2 HIS A 109 7.643 -9.744 -7.535 1.00 0.00 H new ATOM 1752 N CYS A 110 6.096 -4.396 -12.465 1.00 0.00 N ATOM 1753 CA CYS A 110 5.337 -3.380 -13.215 1.00 0.00 C ATOM 1754 C CYS A 110 6.097 -2.770 -14.402 1.00 0.00 C ATOM 1755 O CYS A 110 5.476 -2.235 -15.320 1.00 0.00 O ATOM 1756 CB CYS A 110 4.911 -2.276 -12.240 1.00 0.00 C ATOM 1757 SG CYS A 110 3.799 -2.841 -10.928 1.00 0.00 S ATOM 0 H CYS A 110 6.352 -4.085 -11.528 1.00 0.00 H new ATOM 0 HA CYS A 110 4.475 -3.883 -13.653 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.802 -1.843 -11.785 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.420 -1.480 -12.800 1.00 0.00 H new ATOM 0 HG CYS A 110 3.139 -3.883 -11.338 1.00 0.00 H new ATOM 1762 N GLN A 111 7.428 -2.881 -14.409 1.00 0.00 N ATOM 1763 CA GLN A 111 8.281 -2.476 -15.533 1.00 0.00 C ATOM 1764 C GLN A 111 8.330 -3.544 -16.647 1.00 0.00 C ATOM 1765 O GLN A 111 8.760 -3.241 -17.762 1.00 0.00 O ATOM 1766 CB GLN A 111 9.692 -2.148 -15.015 1.00 0.00 C ATOM 1767 CG GLN A 111 9.702 -0.975 -14.016 1.00 0.00 C ATOM 1768 CD GLN A 111 11.125 -0.585 -13.619 1.00 0.00 C ATOM 1769 OE1 GLN A 111 11.667 0.430 -14.042 1.00 0.00 O ATOM 1770 NE2 GLN A 111 11.794 -1.378 -12.807 1.00 0.00 N ATOM 0 H GLN A 111 7.953 -3.261 -13.621 1.00 0.00 H new ATOM 0 HA GLN A 111 7.846 -1.584 -15.983 1.00 0.00 H new ATOM 0 HB2 GLN A 111 10.113 -3.032 -14.535 1.00 0.00 H new ATOM 0 HB3 GLN A 111 10.337 -1.906 -15.859 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.199 -0.115 -14.459 1.00 0.00 H new ATOM 0 HG3 GLN A 111 9.138 -1.251 -13.125 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.356 -2.226 -12.447 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.750 -1.144 -12.538 1.00 0.00 H new ATOM 1779 N GLY A 112 7.870 -4.774 -16.372 1.00 0.00 N ATOM 1780 CA GLY A 112 7.745 -5.872 -17.338 1.00 0.00 C ATOM 1781 C GLY A 112 6.323 -6.022 -17.884 1.00 0.00 C ATOM 1782 O GLY A 112 6.144 -6.128 -19.096 1.00 0.00 O ATOM 0 H GLY A 112 7.564 -5.039 -15.436 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.432 -5.700 -18.167 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.047 -6.805 -16.862 1.00 0.00 H new ATOM 1786 N SER A 113 5.311 -6.019 -17.011 1.00 0.00 N ATOM 1787 CA SER A 113 3.884 -6.186 -17.351 1.00 0.00 C ATOM 1788 C SER A 113 2.959 -5.779 -16.187 1.00 0.00 C ATOM 1789 O SER A 113 3.328 -5.899 -15.016 1.00 0.00 O ATOM 1790 CB SER A 113 3.581 -7.652 -17.723 1.00 0.00 C ATOM 1791 OG SER A 113 3.924 -7.957 -19.069 1.00 0.00 O ATOM 0 H SER A 113 5.463 -5.896 -16.010 1.00 0.00 H new ATOM 0 HA SER A 113 3.690 -5.531 -18.201 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.130 -8.314 -17.053 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.520 -7.850 -17.568 1.00 0.00 H new ATOM 0 HG SER A 113 4.662 -7.380 -19.357 1.00 0.00 H new ATOM 1797 N LEU A 114 1.738 -5.322 -16.505 1.00 0.00 N ATOM 1798 CA LEU A 114 0.680 -4.989 -15.545 1.00 0.00 C ATOM 1799 C LEU A 114 -0.597 -5.825 -15.772 1.00 0.00 C ATOM 1800 O LEU A 114 -0.873 -6.205 -16.917 1.00 0.00 O ATOM 1801 CB LEU A 114 0.359 -3.491 -15.686 1.00 0.00 C ATOM 1802 CG LEU A 114 1.470 -2.562 -15.166 1.00 0.00 C ATOM 1803 CD1 LEU A 114 1.163 -1.129 -15.599 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.570 -2.613 -13.638 1.00 0.00 C ATOM 0 H LEU A 114 1.453 -5.170 -17.472 1.00 0.00 H new ATOM 0 HA LEU A 114 1.034 -5.219 -14.540 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.174 -3.267 -16.737 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.563 -3.275 -15.147 1.00 0.00 H new ATOM 0 HG LEU A 114 2.420 -2.895 -15.583 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.945 -0.463 -15.235 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.121 -1.079 -16.687 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.203 -0.821 -15.185 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.364 -1.946 -13.303 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.623 -2.298 -13.201 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.795 -3.632 -13.322 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.411 -6.058 -14.723 1.00 0.00 N ATOM 1817 CA PRO A 115 -2.722 -6.688 -14.834 1.00 0.00 C ATOM 1818 C PRO A 115 -3.725 -5.741 -15.499 1.00 0.00 C ATOM 1819 O PRO A 115 -3.578 -4.521 -15.437 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.139 -7.002 -13.397 1.00 0.00 C ATOM 1821 CG PRO A 115 -2.481 -5.889 -12.587 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.175 -5.655 -13.344 1.00 0.00 C ATOM 0 HA PRO A 115 -2.691 -7.585 -15.452 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.223 -6.995 -13.283 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -2.791 -7.986 -13.084 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.098 -4.991 -12.556 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.303 -6.190 -11.555 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -0.881 -4.607 -13.292 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.364 -6.236 -12.905 1.00 0.00 H new ATOM 1830 N ASP A 116 -4.762 -6.304 -16.119 1.00 0.00 N ATOM 1831 CA ASP A 116 -5.901 -5.544 -16.644 1.00 0.00 C ATOM 1832 C ASP A 116 -6.942 -5.242 -15.547 1.00 0.00 C ATOM 1833 O ASP A 116 -7.147 -6.012 -14.604 1.00 0.00 O ATOM 1834 CB ASP A 116 -6.525 -6.293 -17.835 1.00 0.00 C ATOM 1835 CG ASP A 116 -7.689 -5.531 -18.500 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -7.675 -4.274 -18.511 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -8.627 -6.196 -18.997 1.00 0.00 O ATOM 0 H ASP A 116 -4.838 -7.309 -16.273 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.538 -4.578 -16.997 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.752 -6.482 -18.580 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.884 -7.264 -17.495 1.00 0.00 H new ATOM 1842 N ILE A 117 -7.616 -4.103 -15.711 1.00 0.00 N ATOM 1843 CA ILE A 117 -8.662 -3.555 -14.830 1.00 0.00 C ATOM 1844 C ILE A 117 -9.904 -3.078 -15.607 1.00 0.00 C ATOM 1845 O ILE A 117 -10.845 -2.563 -15.011 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.087 -2.396 -13.984 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.613 -1.248 -14.909 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -6.972 -2.890 -13.040 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.296 0.034 -14.154 1.00 0.00 C ATOM 0 H ILE A 117 -7.439 -3.496 -16.512 1.00 0.00 H new ATOM 0 HA ILE A 117 -8.987 -4.365 -14.176 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.876 -2.001 -13.344 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.726 -1.571 -15.453 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.385 -1.044 -15.651 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.589 -2.051 -12.459 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.375 -3.645 -12.365 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.163 -3.324 -13.628 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -6.970 0.800 -14.858 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.188 0.378 -13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.503 -0.156 -13.431 1.00 0.00 H new ATOM 1861 N SER A 118 -9.917 -3.205 -16.933 1.00 0.00 N ATOM 1862 CA SER A 118 -10.953 -2.637 -17.820 1.00 0.00 C ATOM 1863 C SER A 118 -12.369 -3.220 -17.617 1.00 0.00 C ATOM 1864 O SER A 118 -13.353 -2.661 -18.105 1.00 0.00 O ATOM 1865 CB SER A 118 -10.539 -2.811 -19.294 1.00 0.00 C ATOM 1866 OG SER A 118 -9.243 -2.291 -19.562 1.00 0.00 O ATOM 0 H SER A 118 -9.195 -3.716 -17.440 1.00 0.00 H new ATOM 0 HA SER A 118 -11.017 -1.583 -17.549 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.562 -3.870 -19.552 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.267 -2.311 -19.934 1.00 0.00 H new ATOM 0 HG SER A 118 -8.566 -2.883 -19.173 1.00 0.00 H new ATOM 1872 N SER A 119 -12.499 -4.326 -16.882 1.00 0.00 N ATOM 1873 CA SER A 119 -13.766 -4.945 -16.468 1.00 0.00 C ATOM 1874 C SER A 119 -14.313 -4.423 -15.121 1.00 0.00 C ATOM 1875 O SER A 119 -15.449 -4.742 -14.749 1.00 0.00 O ATOM 1876 CB SER A 119 -13.551 -6.463 -16.385 1.00 0.00 C ATOM 1877 OG SER A 119 -12.425 -6.792 -15.573 1.00 0.00 O ATOM 0 H SER A 119 -11.687 -4.841 -16.542 1.00 0.00 H new ATOM 0 HA SER A 119 -14.516 -4.679 -17.213 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.445 -6.935 -15.977 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.407 -6.866 -17.388 1.00 0.00 H new ATOM 0 HG SER A 119 -12.318 -7.766 -15.541 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.523 -3.627 -14.390 1.00 0.00 N ATOM 1884 CA CYS A 120 -13.804 -3.134 -13.036 1.00 0.00 C ATOM 1885 C CYS A 120 -14.500 -1.756 -13.041 1.00 0.00 C ATOM 1886 O CYS A 120 -15.563 -1.627 -12.393 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.485 -3.092 -12.248 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.512 -4.625 -12.247 1.00 0.00 S ATOM 1889 OXT CYS A 120 -13.959 -0.790 -13.628 1.00 0.00 O ATOM 0 H CYS A 120 -12.627 -3.293 -14.744 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.504 -3.817 -12.554 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -11.866 -2.292 -12.655 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.710 -2.827 -11.215 1.00 0.00 H new ATOM 0 HG CYS A 120 -10.543 -4.524 -11.386 1.00 0.00 H new TER 1894 CYS A 120