USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 hydrogens (29 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 NoAdj-H: A 91 E2P HXT : A 91 E2P O20 : A 91 E2P C20 :(short bond) USER MOD Set 1.1: A 52 LYS NZ :NH3+ -94:sc= 1.22 (180deg=-0.541) USER MOD Set 1.2: A 82 SER OG : rot -63:sc= 0.616 USER MOD Set 2.1: A 16 TYR OH : rot 59:sc= 0.943 USER MOD Set 2.2: A 65 ASN : amide:sc= -1.52 K(o=0.96,f=0.24) USER MOD Set 2.3: A 72 LYS NZ :NH3+ -146:sc= 1.54 (180deg=0.0565) USER MOD Single : A 1 ILE N :NH3+ -152:sc= 0.00498 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.63 X(o=-0.63,f=-0.91) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0356 K(o=-0.036,f=-1.1!) USER MOD Single : A 32 LYS NZ :NH3+ 123:sc= 0.804 (180deg=-0.252!) USER MOD Single : A 33 ASN : amide:sc= 0.225 K(o=0.22,f=-2.9) USER MOD Single : A 35 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-1.3!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0298 USER MOD Single : A 41 GLN : amide:sc= 0.138 K(o=0.14,f=-5.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.385 K(o=0.39,f=-2.3!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.56 K(o=0.56,f=-0.04) USER MOD Single : A 59 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.0061) USER MOD Single : A 60 ASN : amide:sc= 0.203 X(o=0.2,f=-0.18) USER MOD Single : A 62 ASN : amide:sc= 0.282 K(o=0.28,f=-7.2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc=-0.00768 X(o=-0.0077,f=-0.097) USER MOD Single : A 79 TYR OH : rot 31:sc= 0.0442 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 84 ASN : amide:sc= -0.0821! K(o=-0.082!,f=-0.74) USER MOD Single : A 88 SER OG : rot -163:sc= 1.17 USER MOD Single : A 91 E2P O6 : rot -120:sc= -0.0186 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 9.901 -5.858 -2.276 1.00 -0.46 N ATOM 2 CA ILE A 1 10.365 -5.898 -3.670 1.00 0.04 C ATOM 3 C ILE A 1 10.906 -4.542 -4.082 1.00 0.62 C ATOM 4 O ILE A 1 10.593 -3.557 -3.432 1.00 -0.50 O ATOM 5 CB ILE A 1 9.236 -6.403 -4.635 1.00 -0.01 C ATOM 6 CG1 ILE A 1 9.647 -7.667 -5.451 1.00 -0.05 C ATOM 7 CG2 ILE A 1 8.728 -5.288 -5.591 1.00 -0.09 C ATOM 8 CD1 ILE A 1 9.786 -8.936 -4.565 1.00 -0.09 C ATOM 0 H1 ILE A 1 9.983 -6.806 -1.856 1.00 -0.46 H new ATOM 0 H2 ILE A 1 10.484 -5.188 -1.735 1.00 -0.46 H new ATOM 0 H3 ILE A 1 8.907 -5.552 -2.249 1.00 -0.46 H new ATOM 0 HA ILE A 1 11.180 -6.618 -3.744 1.00 0.04 H new ATOM 0 HB ILE A 1 8.414 -6.690 -3.980 1.00 -0.01 H new ATOM 0 HG12 ILE A 1 8.904 -7.851 -6.227 1.00 -0.05 H new ATOM 0 HG13 ILE A 1 10.594 -7.476 -5.956 1.00 -0.05 H new ATOM 0 HG21 ILE A 1 7.948 -5.690 -6.237 1.00 -0.09 H new ATOM 0 HG22 ILE A 1 8.324 -4.463 -5.005 1.00 -0.09 H new ATOM 0 HG23 ILE A 1 9.556 -4.928 -6.202 1.00 -0.09 H new ATOM 0 HD11 ILE A 1 10.074 -9.784 -5.187 1.00 -0.09 H new ATOM 0 HD12 ILE A 1 10.549 -8.768 -3.805 1.00 -0.09 H new ATOM 0 HD13 ILE A 1 8.833 -9.148 -4.081 1.00 -0.09 H new ATOM 22 N ASP A 2 11.711 -4.450 -5.166 1.00 -0.46 N ATOM 23 CA ASP A 2 12.294 -3.163 -5.555 1.00 0.04 C ATOM 24 C ASP A 2 11.280 -2.196 -6.146 1.00 0.62 C ATOM 25 O ASP A 2 11.440 -1.789 -7.286 1.00 -0.50 O ATOM 26 CB ASP A 2 13.479 -3.415 -6.530 1.00 -0.40 C ATOM 27 CG ASP A 2 14.453 -4.393 -5.929 1.00 0.71 C ATOM 28 OD1 ASP A 2 14.099 -5.602 -5.870 1.00 -0.72 O ATOM 29 OD2 ASP A 2 15.563 -3.963 -5.516 1.00 -0.72 O ATOM 0 H ASP A 2 11.962 -5.235 -5.768 1.00 -0.46 H new ATOM 0 HA ASP A 2 12.659 -2.676 -4.651 1.00 0.04 H new ATOM 0 HB2 ASP A 2 13.103 -3.802 -7.477 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 13.985 -2.475 -6.748 1.00 -0.40 H new ATOM 34 N CYS A 3 10.232 -1.776 -5.397 1.00 -0.46 N ATOM 35 CA CYS A 3 9.340 -0.717 -5.881 1.00 0.04 C ATOM 36 C CYS A 3 8.935 -0.888 -7.331 1.00 0.62 C ATOM 37 O CYS A 3 9.095 0.044 -8.103 1.00 -0.50 O ATOM 38 CB CYS A 3 10.063 0.630 -5.601 1.00 -0.10 C ATOM 39 SG CYS A 3 9.206 2.112 -6.243 1.00 0.82 S ATOM 0 H CYS A 3 9.994 -2.149 -4.478 1.00 -0.46 H new ATOM 0 HA CYS A 3 8.387 -0.755 -5.353 1.00 0.04 H new ATOM 0 HB2 CYS A 3 10.191 0.740 -4.524 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 11.061 0.588 -6.038 1.00 -0.10 H new ATOM 44 N GLY A 4 8.395 -2.068 -7.707 1.00 -0.46 N ATOM 45 CA GLY A 4 8.009 -2.312 -9.099 1.00 0.04 C ATOM 46 C GLY A 4 6.759 -3.159 -9.161 1.00 0.62 C ATOM 47 O GLY A 4 5.698 -2.649 -9.487 1.00 -0.50 O ATOM 0 H GLY A 4 8.222 -2.848 -7.073 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 7.838 -1.363 -9.607 1.00 0.04 H new ATOM 0 HA3 GLY A 4 8.821 -2.813 -9.625 1.00 0.04 H new ATOM 51 N HIS A 5 6.833 -4.467 -8.828 1.00 -0.46 N ATOM 52 CA HIS A 5 5.604 -5.262 -8.804 1.00 0.04 C ATOM 53 C HIS A 5 4.624 -4.637 -7.830 1.00 0.62 C ATOM 54 O HIS A 5 3.436 -4.642 -8.106 1.00 -0.50 O ATOM 55 CB HIS A 5 5.886 -6.753 -8.482 1.00 -0.10 C ATOM 56 CG HIS A 5 4.700 -7.657 -8.716 1.00 0.06 C ATOM 57 ND1 HIS A 5 4.014 -7.752 -9.817 1.00 -0.06 N ATOM 58 CD2 HIS A 5 4.158 -8.527 -7.859 1.00 -0.04 C ATOM 59 CE1 HIS A 5 3.062 -8.631 -9.720 1.00 0.11 C ATOM 60 NE2 HIS A 5 3.182 -9.090 -8.510 1.00 -0.06 N ATOM 0 H HIS A 5 7.688 -4.967 -8.585 1.00 -0.46 H new ATOM 0 HA HIS A 5 5.157 -5.255 -9.798 1.00 0.04 H new ATOM 0 HB2 HIS A 5 6.720 -7.097 -9.094 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 6.198 -6.839 -7.441 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 4.465 -8.722 -6.842 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 2.339 -8.914 -10.471 1.00 0.11 H new ATOM 0 HE2 HIS A 5 2.578 -9.811 -8.115 1.00 -0.06 H new ATOM 69 N VAL A 6 5.094 -4.058 -6.699 1.00 -0.46 N ATOM 70 CA VAL A 6 4.193 -3.304 -5.824 1.00 0.04 C ATOM 71 C VAL A 6 3.537 -2.217 -6.653 1.00 0.62 C ATOM 72 O VAL A 6 2.320 -2.122 -6.657 1.00 -0.50 O ATOM 73 CB VAL A 6 4.935 -2.673 -4.602 1.00 -0.01 C ATOM 74 CG1 VAL A 6 4.024 -1.670 -3.837 1.00 -0.09 C ATOM 75 CG2 VAL A 6 5.439 -3.769 -3.619 1.00 -0.09 C ATOM 0 H VAL A 6 6.064 -4.101 -6.386 1.00 -0.46 H new ATOM 0 HA VAL A 6 3.450 -3.989 -5.415 1.00 0.04 H new ATOM 0 HB VAL A 6 5.794 -2.132 -5.000 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 4.573 -1.251 -2.994 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 3.722 -0.867 -4.509 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 3.138 -2.189 -3.472 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 5.951 -3.298 -2.780 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 4.590 -4.344 -3.250 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 6.130 -4.434 -4.138 1.00 -0.09 H new ATOM 85 N ASP A 7 4.335 -1.390 -7.369 1.00 -0.46 N ATOM 86 CA ASP A 7 3.752 -0.312 -8.170 1.00 0.04 C ATOM 87 C ASP A 7 2.653 -0.867 -9.062 1.00 0.62 C ATOM 88 O ASP A 7 1.558 -0.326 -9.115 1.00 -0.50 O ATOM 89 CB ASP A 7 4.845 0.429 -8.991 1.00 -0.40 C ATOM 90 CG ASP A 7 4.310 1.655 -9.681 1.00 0.71 C ATOM 91 OD1 ASP A 7 3.145 1.608 -10.153 1.00 -0.72 O ATOM 92 OD2 ASP A 7 5.053 2.668 -9.762 1.00 -0.72 O ATOM 0 H ASP A 7 5.353 -1.452 -7.403 1.00 -0.46 H new ATOM 0 HA ASP A 7 3.306 0.424 -7.501 1.00 0.04 H new ATOM 0 HB2 ASP A 7 5.662 0.715 -8.329 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 5.261 -0.251 -9.734 1.00 -0.40 H new ATOM 97 N SER A 8 2.919 -1.980 -9.781 1.00 -0.46 N ATOM 98 CA SER A 8 1.872 -2.569 -10.620 1.00 0.04 C ATOM 99 C SER A 8 0.667 -2.984 -9.801 1.00 0.62 C ATOM 100 O SER A 8 -0.453 -2.662 -10.163 1.00 -0.50 O ATOM 101 CB SER A 8 2.396 -3.811 -11.385 1.00 0.02 C ATOM 102 OG SER A 8 1.329 -4.338 -12.193 1.00 -0.55 O ATOM 0 H SER A 8 3.815 -2.467 -9.795 1.00 -0.46 H new ATOM 0 HA SER A 8 1.577 -1.797 -11.331 1.00 0.04 H new ATOM 0 HB2 SER A 8 3.245 -3.539 -12.011 1.00 0.02 H new ATOM 0 HB3 SER A 8 2.747 -4.567 -10.683 1.00 0.02 H new ATOM 0 HG SER A 8 1.648 -5.124 -12.684 1.00 -0.55 H new ATOM 108 N LEU A 9 0.873 -3.714 -8.684 1.00 -0.46 N ATOM 109 CA LEU A 9 -0.262 -4.239 -7.921 1.00 0.04 C ATOM 110 C LEU A 9 -1.082 -3.168 -7.234 1.00 0.62 C ATOM 111 O LEU A 9 -2.259 -3.403 -7.007 1.00 -0.50 O ATOM 112 CB LEU A 9 0.216 -5.213 -6.813 1.00 -0.06 C ATOM 113 CG LEU A 9 0.841 -6.543 -7.332 1.00 -0.01 C ATOM 114 CD1 LEU A 9 1.493 -7.253 -6.117 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -0.206 -7.470 -8.015 1.00 -0.11 C ATOM 0 H LEU A 9 1.791 -3.945 -8.304 1.00 -0.46 H new ATOM 0 HA LEU A 9 -0.883 -4.741 -8.663 1.00 0.04 H new ATOM 0 HB2 LEU A 9 0.951 -4.701 -6.192 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 -0.631 -5.453 -6.171 1.00 -0.06 H new ATOM 0 HG LEU A 9 1.581 -6.316 -8.099 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 1.943 -8.191 -6.442 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 2.263 -6.610 -5.690 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 0.732 -7.457 -5.364 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 0.284 -8.382 -8.357 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 -0.988 -7.725 -7.300 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 -0.648 -6.954 -8.867 1.00 -0.11 H new ATOM 127 N VAL A 10 -0.521 -1.996 -6.865 1.00 -0.46 N ATOM 128 CA VAL A 10 -1.366 -0.974 -6.240 1.00 0.04 C ATOM 129 C VAL A 10 -2.345 -0.402 -7.244 1.00 0.62 C ATOM 130 O VAL A 10 -3.457 -0.096 -6.846 1.00 -0.50 O ATOM 131 CB VAL A 10 -0.600 0.174 -5.521 1.00 -0.01 C ATOM 132 CG1 VAL A 10 0.256 -0.386 -4.353 1.00 -0.09 C ATOM 133 CG2 VAL A 10 0.278 1.011 -6.486 1.00 -0.09 C ATOM 0 H VAL A 10 0.461 -1.748 -6.983 1.00 -0.46 H new ATOM 0 HA VAL A 10 -1.899 -1.502 -5.449 1.00 0.04 H new ATOM 0 HB VAL A 10 -1.356 0.849 -5.119 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 0.784 0.433 -3.863 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 -0.393 -0.882 -3.632 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 0.979 -1.102 -4.743 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 0.787 1.796 -5.927 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 1.017 0.364 -6.959 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 -0.352 1.462 -7.252 1.00 -0.09 H new ATOM 143 N ARG A 11 -1.985 -0.240 -8.538 1.00 -0.46 N ATOM 144 CA ARG A 11 -2.917 0.363 -9.502 1.00 0.04 C ATOM 145 C ARG A 11 -4.374 -0.059 -9.335 1.00 0.62 C ATOM 146 O ARG A 11 -5.194 0.821 -9.120 1.00 -0.50 O ATOM 147 CB ARG A 11 -2.433 0.229 -10.983 1.00 -0.08 C ATOM 148 CG ARG A 11 -1.943 1.570 -11.607 1.00 -0.10 C ATOM 149 CD ARG A 11 -0.675 2.186 -10.940 1.00 -0.23 C ATOM 150 NE ARG A 11 0.564 1.450 -11.223 1.00 -0.32 N ATOM 151 CZ ARG A 11 1.234 1.523 -12.356 1.00 0.76 C ATOM 152 NH1 ARG A 11 0.837 2.224 -13.390 1.00 -0.62 N ATOM 153 NH2 ARG A 11 2.363 0.868 -12.469 1.00 -0.62 N ATOM 0 H ARG A 11 -1.081 -0.511 -8.925 1.00 -0.46 H new ATOM 0 HA ARG A 11 -2.901 1.424 -9.252 1.00 0.04 H new ATOM 0 HB2 ARG A 11 -1.623 -0.499 -11.026 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 -3.249 -0.166 -11.588 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 -1.735 1.406 -12.664 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 -2.754 2.297 -11.550 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 -0.561 3.215 -11.281 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 -0.826 2.223 -9.861 1.00 -0.23 H new ATOM 0 HE ARG A 11 0.931 0.840 -10.493 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 -0.034 2.752 -13.344 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 1.400 2.241 -14.241 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 2.711 0.313 -11.687 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 2.894 0.913 -13.339 1.00 -0.62 H new ATOM 167 N PRO A 12 -4.796 -1.348 -9.399 1.00 -0.23 N ATOM 168 CA PRO A 12 -6.209 -1.658 -9.191 1.00 0.04 C ATOM 169 C PRO A 12 -6.712 -1.188 -7.840 1.00 0.53 C ATOM 170 O PRO A 12 -7.890 -0.892 -7.725 1.00 -0.50 O ATOM 171 CB PRO A 12 -6.187 -3.204 -9.330 1.00 -0.12 C ATOM 172 CG PRO A 12 -4.723 -3.589 -9.015 1.00 -0.12 C ATOM 173 CD PRO A 12 -3.899 -2.458 -9.673 1.00 -0.01 C ATOM 0 HA PRO A 12 -6.890 -1.161 -9.882 1.00 0.04 H new ATOM 0 HB2 PRO A 12 -6.882 -3.677 -8.636 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 -6.475 -3.518 -10.333 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 -4.545 -3.642 -7.941 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 -4.467 -4.564 -9.429 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 -2.917 -2.330 -9.217 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 -3.737 -2.618 -10.739 1.00 -0.01 H new ATOM 181 N CYS A 13 -5.854 -1.091 -6.799 1.00 -0.46 N ATOM 182 CA CYS A 13 -6.306 -0.530 -5.526 1.00 0.04 C ATOM 183 C CYS A 13 -6.513 0.970 -5.637 1.00 0.62 C ATOM 184 O CYS A 13 -7.471 1.466 -5.064 1.00 -0.50 O ATOM 185 CB CYS A 13 -5.284 -0.808 -4.391 1.00 -0.10 C ATOM 186 SG CYS A 13 -4.786 -2.563 -4.358 1.00 0.82 S ATOM 0 H CYS A 13 -4.878 -1.386 -6.821 1.00 -0.46 H new ATOM 0 HA CYS A 13 -7.252 -1.014 -5.284 1.00 0.04 H new ATOM 0 HB2 CYS A 13 -4.403 -0.181 -4.531 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 -5.721 -0.534 -3.431 1.00 -0.10 H new ATOM 191 N LEU A 14 -5.626 1.707 -6.353 1.00 -0.46 N ATOM 192 CA LEU A 14 -5.728 3.171 -6.402 1.00 0.04 C ATOM 193 C LEU A 14 -7.150 3.663 -6.581 1.00 0.62 C ATOM 194 O LEU A 14 -7.499 4.648 -5.951 1.00 -0.50 O ATOM 195 CB LEU A 14 -4.807 3.851 -7.463 1.00 -0.06 C ATOM 196 CG LEU A 14 -3.416 4.297 -6.912 1.00 -0.01 C ATOM 197 CD1 LEU A 14 -2.636 3.136 -6.239 1.00 -0.11 C ATOM 198 CD2 LEU A 14 -2.551 4.898 -8.057 1.00 -0.11 C ATOM 0 H LEU A 14 -4.852 1.314 -6.890 1.00 -0.46 H new ATOM 0 HA LEU A 14 -5.369 3.475 -5.419 1.00 0.04 H new ATOM 0 HB2 LEU A 14 -4.652 3.159 -8.290 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 -5.321 4.723 -7.869 1.00 -0.06 H new ATOM 0 HG LEU A 14 -3.611 5.051 -6.149 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 -1.677 3.505 -5.875 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 -3.216 2.745 -5.403 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 -2.467 2.342 -6.966 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 -1.584 5.205 -7.659 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 -2.403 4.147 -8.833 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 -3.060 5.763 -8.482 1.00 -0.11 H new ATOM 210 N SER A 15 -7.991 3.015 -7.416 1.00 -0.46 N ATOM 211 CA SER A 15 -9.369 3.493 -7.573 1.00 0.04 C ATOM 212 C SER A 15 -10.006 3.767 -6.223 1.00 0.62 C ATOM 213 O SER A 15 -10.565 4.833 -6.013 1.00 -0.50 O ATOM 214 CB SER A 15 -10.257 2.470 -8.336 1.00 0.02 C ATOM 215 OG SER A 15 -9.919 2.393 -9.732 1.00 -0.55 O ATOM 0 H SER A 15 -7.748 2.193 -7.969 1.00 -0.46 H new ATOM 0 HA SER A 15 -9.310 4.414 -8.153 1.00 0.04 H new ATOM 0 HB2 SER A 15 -10.146 1.485 -7.882 1.00 0.02 H new ATOM 0 HB3 SER A 15 -11.305 2.752 -8.232 1.00 0.02 H new ATOM 0 HG SER A 15 -10.499 1.738 -10.173 1.00 -0.55 H new ATOM 221 N TYR A 16 -9.924 2.799 -5.284 1.00 -0.46 N ATOM 222 CA TYR A 16 -10.537 2.989 -3.966 1.00 0.04 C ATOM 223 C TYR A 16 -9.728 3.937 -3.107 1.00 0.62 C ATOM 224 O TYR A 16 -10.305 4.771 -2.427 1.00 -0.50 O ATOM 225 CB TYR A 16 -10.641 1.614 -3.263 1.00 -0.10 C ATOM 226 CG TYR A 16 -11.403 1.694 -1.937 1.00 -0.03 C ATOM 227 CD1 TYR A 16 -10.757 2.087 -0.761 1.00 0.00 C ATOM 228 CD2 TYR A 16 -12.758 1.351 -1.893 1.00 0.00 C ATOM 229 CE1 TYR A 16 -11.438 2.038 0.457 1.00 -0.26 C ATOM 230 CE2 TYR A 16 -13.470 1.422 -0.695 1.00 -0.26 C ATOM 231 CZ TYR A 16 -12.802 1.738 0.489 1.00 0.46 C ATOM 232 OH TYR A 16 -13.506 1.737 1.691 1.00 -0.53 O ATOM 0 H TYR A 16 -9.452 1.904 -5.415 1.00 -0.46 H new ATOM 0 HA TYR A 16 -11.526 3.426 -4.103 1.00 0.04 H new ATOM 0 HB2 TYR A 16 -11.142 0.907 -3.925 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 -9.639 1.225 -3.081 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 -9.733 2.428 -0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.258 1.028 -2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.908 2.233 1.378 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 -14.533 1.233 -0.684 1.00 -0.26 H new ATOM 0 HH TYR A 16 -13.444 2.622 2.107 1.00 -0.53 H new ATOM 242 N VAL A 17 -8.381 3.815 -3.127 1.00 -0.46 N ATOM 243 CA VAL A 17 -7.537 4.691 -2.305 1.00 0.04 C ATOM 244 C VAL A 17 -7.890 6.126 -2.635 1.00 0.62 C ATOM 245 O VAL A 17 -8.045 6.946 -1.743 1.00 -0.50 O ATOM 246 CB VAL A 17 -6.010 4.499 -2.572 1.00 -0.01 C ATOM 247 CG1 VAL A 17 -5.104 5.408 -1.692 1.00 -0.09 C ATOM 248 CG2 VAL A 17 -5.537 3.030 -2.395 1.00 -0.09 C ATOM 0 H VAL A 17 -7.872 3.134 -3.691 1.00 -0.46 H new ATOM 0 HA VAL A 17 -7.724 4.440 -1.261 1.00 0.04 H new ATOM 0 HB VAL A 17 -5.898 4.792 -3.616 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 -4.057 5.220 -1.932 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 -5.339 6.454 -1.887 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 -5.280 5.187 -0.639 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 -4.467 2.966 -2.595 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 -5.736 2.704 -1.374 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 -6.076 2.388 -3.092 1.00 -0.09 H new ATOM 258 N GLN A 18 -8.017 6.439 -3.943 1.00 -0.46 N ATOM 259 CA GLN A 18 -8.377 7.794 -4.348 1.00 0.04 C ATOM 260 C GLN A 18 -9.810 8.059 -3.949 1.00 0.62 C ATOM 261 O GLN A 18 -10.076 9.060 -3.302 1.00 -0.50 O ATOM 262 CB GLN A 18 -8.159 8.003 -5.872 1.00 -0.10 C ATOM 263 CG GLN A 18 -6.646 7.938 -6.223 1.00 -0.10 C ATOM 264 CD GLN A 18 -6.377 7.955 -7.707 1.00 0.68 C ATOM 265 OE1 GLN A 18 -7.286 8.145 -8.497 1.00 -0.47 O ATOM 266 NE2 GLN A 18 -5.109 7.754 -8.119 1.00 -0.87 N ATOM 0 H GLN A 18 -7.877 5.783 -4.711 1.00 -0.46 H new ATOM 0 HA GLN A 18 -7.729 8.508 -3.841 1.00 0.04 H new ATOM 0 HB2 GLN A 18 -8.700 7.239 -6.430 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 -8.567 8.968 -6.174 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 -6.136 8.782 -5.759 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 -6.219 7.032 -5.794 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 -4.369 7.598 -7.435 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 -4.890 7.758 -9.115 1.00 -0.87 H new ATOM 275 N GLY A 19 -10.747 7.160 -4.324 1.00 -0.46 N ATOM 276 CA GLY A 19 -12.147 7.366 -3.961 1.00 0.04 C ATOM 277 C GLY A 19 -13.039 6.510 -4.831 1.00 0.62 C ATOM 278 O GLY A 19 -13.288 6.893 -5.963 1.00 -0.50 O ATOM 0 H GLY A 19 -10.558 6.313 -4.861 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 -12.300 7.115 -2.911 1.00 0.04 H new ATOM 0 HA3 GLY A 19 -12.411 8.417 -4.079 1.00 0.04 H new ATOM 282 N GLY A 20 -13.517 5.341 -4.349 1.00 -0.46 N ATOM 283 CA GLY A 20 -14.315 4.478 -5.218 1.00 0.04 C ATOM 284 C GLY A 20 -14.845 3.265 -4.490 1.00 0.62 C ATOM 285 O GLY A 20 -14.522 3.132 -3.320 1.00 -0.50 O ATOM 0 H GLY A 20 -13.368 4.992 -3.402 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 -15.150 5.048 -5.625 1.00 0.04 H new ATOM 0 HA3 GLY A 20 -13.707 4.155 -6.063 1.00 0.04 H new ATOM 289 N PRO A 21 -15.651 2.372 -5.118 1.00 -0.23 N ATOM 290 CA PRO A 21 -16.139 1.195 -4.411 1.00 0.04 C ATOM 291 C PRO A 21 -15.124 0.076 -4.463 1.00 0.53 C ATOM 292 O PRO A 21 -14.089 0.234 -5.091 1.00 -0.50 O ATOM 293 CB PRO A 21 -17.354 0.865 -5.312 1.00 -0.12 C ATOM 294 CG PRO A 21 -16.845 1.229 -6.727 1.00 -0.12 C ATOM 295 CD PRO A 21 -16.080 2.555 -6.499 1.00 -0.01 C ATOM 0 HA PRO A 21 -16.352 1.335 -3.351 1.00 0.04 H new ATOM 0 HB2 PRO A 21 -17.635 -0.186 -5.242 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 -18.232 1.449 -5.036 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 -16.195 0.454 -7.132 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 -17.668 1.355 -7.431 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 -15.240 2.673 -7.183 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 -16.718 3.430 -6.624 1.00 -0.01 H new ATOM 303 N GLY A 22 -15.409 -1.074 -3.810 1.00 -0.46 N ATOM 304 CA GLY A 22 -14.480 -2.203 -3.865 1.00 0.04 C ATOM 305 C GLY A 22 -13.363 -2.031 -2.856 1.00 0.62 C ATOM 306 O GLY A 22 -13.704 -1.841 -1.697 1.00 -0.50 O ATOM 0 H GLY A 22 -16.251 -1.234 -3.257 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 -15.016 -3.131 -3.666 1.00 0.04 H new ATOM 0 HA3 GLY A 22 -14.061 -2.286 -4.868 1.00 0.04 H new ATOM 310 N PRO A 23 -12.045 -2.093 -3.185 1.00 -0.23 N ATOM 311 CA PRO A 23 -11.561 -2.223 -4.557 1.00 0.04 C ATOM 312 C PRO A 23 -11.801 -3.600 -5.134 1.00 0.53 C ATOM 313 O PRO A 23 -12.370 -4.446 -4.462 1.00 -0.50 O ATOM 314 CB PRO A 23 -10.044 -1.982 -4.338 1.00 -0.12 C ATOM 315 CG PRO A 23 -9.797 -2.496 -2.902 1.00 -0.12 C ATOM 316 CD PRO A 23 -11.044 -1.998 -2.137 1.00 -0.01 C ATOM 0 HA PRO A 23 -12.052 -1.552 -5.261 1.00 0.04 H new ATOM 0 HB2 PRO A 23 -9.443 -2.525 -5.067 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 -9.788 -0.927 -4.436 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 -9.711 -3.582 -2.871 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 -8.877 -2.091 -2.481 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 -11.282 -2.624 -1.277 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 -10.925 -0.980 -1.767 1.00 -0.01 H new ATOM 324 N SER A 24 -11.376 -3.829 -6.397 1.00 -0.46 N ATOM 325 CA SER A 24 -11.645 -5.109 -7.056 1.00 0.04 C ATOM 326 C SER A 24 -10.929 -6.276 -6.410 1.00 0.62 C ATOM 327 O SER A 24 -9.990 -6.076 -5.654 1.00 -0.50 O ATOM 328 CB SER A 24 -11.195 -5.036 -8.539 1.00 0.02 C ATOM 329 OG SER A 24 -9.778 -4.783 -8.558 1.00 -0.55 O ATOM 0 H SER A 24 -10.858 -3.156 -6.962 1.00 -0.46 H new ATOM 0 HA SER A 24 -12.718 -5.279 -6.966 1.00 0.04 H new ATOM 0 HB2 SER A 24 -11.423 -5.969 -9.054 1.00 0.02 H new ATOM 0 HB3 SER A 24 -11.731 -4.244 -9.062 1.00 0.02 H new ATOM 0 HG SER A 24 -9.467 -4.734 -9.486 1.00 -0.55 H new ATOM 335 N GLY A 25 -11.352 -7.526 -6.714 1.00 -0.46 N ATOM 336 CA GLY A 25 -10.648 -8.689 -6.174 1.00 0.04 C ATOM 337 C GLY A 25 -9.185 -8.670 -6.551 1.00 0.62 C ATOM 338 O GLY A 25 -8.363 -9.065 -5.738 1.00 -0.50 O ATOM 0 H GLY A 25 -12.151 -7.741 -7.311 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 -10.746 -8.704 -5.088 1.00 0.04 H new ATOM 0 HA3 GLY A 25 -11.110 -9.602 -6.548 1.00 0.04 H new ATOM 342 N GLN A 26 -8.830 -8.211 -7.775 1.00 -0.46 N ATOM 343 CA GLN A 26 -7.415 -8.126 -8.137 1.00 0.04 C ATOM 344 C GLN A 26 -6.674 -7.381 -7.049 1.00 0.62 C ATOM 345 O GLN A 26 -5.637 -7.847 -6.606 1.00 -0.50 O ATOM 346 CB GLN A 26 -7.193 -7.394 -9.489 1.00 -0.10 C ATOM 347 CG GLN A 26 -5.696 -7.389 -9.909 1.00 -0.10 C ATOM 348 CD GLN A 26 -5.439 -6.569 -11.150 1.00 0.68 C ATOM 349 OE1 GLN A 26 -6.367 -6.038 -11.737 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -4.166 -6.439 -11.576 1.00 -0.87 N ATOM 0 H GLN A 26 -9.484 -7.907 -8.497 1.00 -0.46 H new ATOM 0 HA GLN A 26 -7.039 -9.143 -8.245 1.00 0.04 H new ATOM 0 HB2 GLN A 26 -7.786 -7.878 -10.265 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 -7.551 -6.367 -9.409 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 -5.095 -6.997 -9.089 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 -5.369 -8.414 -10.082 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 -3.409 -6.894 -11.066 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 -3.961 -5.886 -12.408 1.00 -0.87 H new ATOM 359 N CYS A 27 -7.192 -6.221 -6.585 1.00 -0.46 N ATOM 360 CA CYS A 27 -6.512 -5.532 -5.493 1.00 0.04 C ATOM 361 C CYS A 27 -6.416 -6.457 -4.301 1.00 0.62 C ATOM 362 O CYS A 27 -5.344 -6.510 -3.724 1.00 -0.50 O ATOM 363 CB CYS A 27 -7.236 -4.235 -5.059 1.00 -0.10 C ATOM 364 SG CYS A 27 -6.420 -3.499 -3.600 1.00 0.82 S ATOM 0 H CYS A 27 -8.037 -5.769 -6.936 1.00 -0.46 H new ATOM 0 HA CYS A 27 -5.523 -5.253 -5.857 1.00 0.04 H new ATOM 0 HB2 CYS A 27 -7.236 -3.520 -5.882 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 -8.278 -4.454 -4.827 1.00 -0.10 H new ATOM 369 N CYS A 28 -7.486 -7.182 -3.896 1.00 -0.46 N ATOM 370 CA CYS A 28 -7.352 -8.072 -2.740 1.00 0.04 C ATOM 371 C CYS A 28 -6.209 -9.042 -2.947 1.00 0.62 C ATOM 372 O CYS A 28 -5.437 -9.233 -2.020 1.00 -0.50 O ATOM 373 CB CYS A 28 -8.636 -8.866 -2.384 1.00 -0.10 C ATOM 374 SG CYS A 28 -8.258 -9.874 -0.903 1.00 0.82 S ATOM 0 H CYS A 28 -8.407 -7.166 -4.335 1.00 -0.46 H new ATOM 0 HA CYS A 28 -7.153 -7.411 -1.896 1.00 0.04 H new ATOM 0 HB2 CYS A 28 -9.465 -8.187 -2.186 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 -8.937 -9.503 -3.216 1.00 -0.10 H new ATOM 379 N ASP A 29 -6.064 -9.657 -4.141 1.00 -0.46 N ATOM 380 CA ASP A 29 -4.890 -10.500 -4.368 1.00 0.04 C ATOM 381 C ASP A 29 -3.656 -9.637 -4.178 1.00 0.62 C ATOM 382 O ASP A 29 -2.718 -10.025 -3.499 1.00 -0.50 O ATOM 383 CB ASP A 29 -4.932 -11.161 -5.771 1.00 -0.40 C ATOM 384 CG ASP A 29 -3.863 -12.215 -5.876 1.00 0.71 C ATOM 385 OD1 ASP A 29 -4.119 -13.361 -5.413 1.00 -0.72 O ATOM 386 OD2 ASP A 29 -2.760 -11.911 -6.401 1.00 -0.72 O ATOM 0 H ASP A 29 -6.715 -9.587 -4.923 1.00 -0.46 H new ATOM 0 HA ASP A 29 -4.871 -11.323 -3.654 1.00 0.04 H new ATOM 0 HB2 ASP A 29 -5.912 -11.607 -5.943 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 -4.786 -10.405 -6.543 1.00 -0.40 H new ATOM 391 N GLY A 30 -3.666 -8.415 -4.754 1.00 -0.46 N ATOM 392 CA GLY A 30 -2.589 -7.466 -4.493 1.00 0.04 C ATOM 393 C GLY A 30 -2.338 -7.266 -3.016 1.00 0.62 C ATOM 394 O GLY A 30 -1.187 -7.163 -2.629 1.00 -0.50 O ATOM 0 H GLY A 30 -4.393 -8.079 -5.385 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 -1.674 -7.820 -4.969 1.00 0.04 H new ATOM 0 HA3 GLY A 30 -2.836 -6.507 -4.949 1.00 0.04 H new ATOM 398 N VAL A 31 -3.378 -7.188 -2.157 1.00 -0.46 N ATOM 399 CA VAL A 31 -3.143 -6.902 -0.742 1.00 0.04 C ATOM 400 C VAL A 31 -2.305 -8.008 -0.136 1.00 0.62 C ATOM 401 O VAL A 31 -1.238 -7.729 0.392 1.00 -0.50 O ATOM 402 CB VAL A 31 -4.442 -6.719 0.103 1.00 -0.01 C ATOM 403 CG1 VAL A 31 -4.076 -6.486 1.597 1.00 -0.09 C ATOM 404 CG2 VAL A 31 -5.329 -5.543 -0.391 1.00 -0.09 C ATOM 0 H VAL A 31 -4.356 -7.316 -2.416 1.00 -0.46 H new ATOM 0 HA VAL A 31 -2.623 -5.945 -0.712 1.00 0.04 H new ATOM 0 HB VAL A 31 -5.019 -7.636 -0.014 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 -4.988 -6.359 2.180 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 -3.521 -7.345 1.974 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 -3.462 -5.590 1.686 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 -6.217 -5.468 0.237 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 -4.764 -4.612 -0.334 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 -5.629 -5.722 -1.423 1.00 -0.09 H new ATOM 414 N LYS A 32 -2.772 -9.277 -0.193 1.00 -0.46 N ATOM 415 CA LYS A 32 -1.985 -10.362 0.398 1.00 0.04 C ATOM 416 C LYS A 32 -0.606 -10.392 -0.223 1.00 0.62 C ATOM 417 O LYS A 32 0.361 -10.632 0.484 1.00 -0.50 O ATOM 418 CB LYS A 32 -2.724 -11.736 0.410 1.00 -0.10 C ATOM 419 CG LYS A 32 -3.032 -12.367 -0.980 1.00 -0.16 C ATOM 420 CD LYS A 32 -1.861 -13.203 -1.570 1.00 -0.18 C ATOM 421 CE LYS A 32 -2.089 -13.575 -3.063 1.00 -0.04 C ATOM 422 NZ LYS A 32 -3.309 -14.379 -3.308 1.00 -0.14 N ATOM 0 H LYS A 32 -3.652 -9.559 -0.624 1.00 -0.46 H new ATOM 0 HA LYS A 32 -1.854 -10.152 1.459 1.00 0.04 H new ATOM 0 HB2 LYS A 32 -2.122 -12.443 0.981 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 -3.665 -11.613 0.946 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 -3.911 -13.005 -0.891 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 -3.285 -11.571 -1.680 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 -0.933 -12.639 -1.477 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 -1.739 -14.115 -0.986 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 -2.148 -12.658 -3.650 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 -1.223 -14.130 -3.424 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 -3.917 -13.887 -3.993 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 -3.041 -15.309 -3.688 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 -3.826 -14.506 -2.415 1.00 -0.14 H new ATOM 436 N ASN A 33 -0.481 -10.124 -1.543 1.00 -0.46 N ATOM 437 CA ASN A 33 0.854 -10.049 -2.135 1.00 0.04 C ATOM 438 C ASN A 33 1.654 -8.921 -1.514 1.00 0.62 C ATOM 439 O ASN A 33 2.788 -9.169 -1.142 1.00 -0.50 O ATOM 440 CB ASN A 33 0.786 -9.852 -3.670 1.00 -0.09 C ATOM 441 CG ASN A 33 0.177 -11.033 -4.384 1.00 0.68 C ATOM 442 OD1 ASN A 33 0.360 -12.154 -3.939 1.00 -0.47 O ATOM 443 ND2 ASN A 33 -0.545 -10.824 -5.502 1.00 -0.87 N ATOM 0 H ASN A 33 -1.257 -9.964 -2.186 1.00 -0.46 H new ATOM 0 HA ASN A 33 1.350 -10.998 -1.931 1.00 0.04 H new ATOM 0 HB2 ASN A 33 0.202 -8.959 -3.892 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 1.791 -9.679 -4.055 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 -0.955 -11.614 -5.999 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 -0.682 -9.875 -5.851 1.00 -0.87 H new ATOM 450 N LEU A 34 1.127 -7.682 -1.368 1.00 -0.46 N ATOM 451 CA LEU A 34 1.921 -6.626 -0.734 1.00 0.04 C ATOM 452 C LEU A 34 2.372 -7.120 0.623 1.00 0.62 C ATOM 453 O LEU A 34 3.563 -7.112 0.888 1.00 -0.50 O ATOM 454 CB LEU A 34 1.194 -5.261 -0.531 1.00 -0.06 C ATOM 455 CG LEU A 34 1.369 -4.260 -1.712 1.00 -0.01 C ATOM 456 CD1 LEU A 34 0.607 -4.705 -2.988 1.00 -0.11 C ATOM 457 CD2 LEU A 34 0.900 -2.842 -1.284 1.00 -0.11 C ATOM 0 H LEU A 34 0.193 -7.405 -1.670 1.00 -0.46 H new ATOM 0 HA LEU A 34 2.743 -6.427 -1.422 1.00 0.04 H new ATOM 0 HB2 LEU A 34 0.130 -5.448 -0.383 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 1.566 -4.796 0.382 1.00 -0.06 H new ATOM 0 HG LEU A 34 2.430 -4.240 -1.959 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 0.763 -3.972 -3.779 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 0.980 -5.676 -3.314 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 -0.458 -4.780 -2.768 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 1.027 -2.150 -2.117 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 -0.151 -2.877 -0.998 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 1.495 -2.502 -0.436 1.00 -0.11 H new ATOM 469 N HIS A 35 1.438 -7.559 1.494 1.00 -0.46 N ATOM 470 CA HIS A 35 1.857 -8.093 2.792 1.00 0.04 C ATOM 471 C HIS A 35 2.980 -9.093 2.607 1.00 0.62 C ATOM 472 O HIS A 35 3.958 -9.021 3.334 1.00 -0.50 O ATOM 473 CB HIS A 35 0.666 -8.752 3.542 1.00 -0.10 C ATOM 474 CG HIS A 35 1.139 -9.643 4.663 1.00 0.06 C ATOM 475 ND1 HIS A 35 1.571 -10.861 4.513 1.00 -0.06 N ATOM 476 CD2 HIS A 35 1.207 -9.377 5.971 1.00 -0.04 C ATOM 477 CE1 HIS A 35 1.917 -11.395 5.647 1.00 0.11 C ATOM 478 NE2 HIS A 35 1.680 -10.459 6.519 1.00 -0.06 N ATOM 0 H HIS A 35 0.432 -7.553 1.327 1.00 -0.46 H new ATOM 0 HA HIS A 35 2.216 -7.262 3.399 1.00 0.04 H new ATOM 0 HB2 HIS A 35 0.014 -7.976 3.944 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 0.071 -9.335 2.839 1.00 -0.10 H new ATOM 0 HD2 HIS A 35 0.929 -8.459 6.468 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 2.310 -12.385 5.824 1.00 0.11 H new ATOM 0 HE2 HIS A 35 1.846 -10.561 7.520 1.00 -0.06 H new ATOM 487 N ASN A 36 2.862 -10.042 1.652 1.00 -0.46 N ATOM 488 CA ASN A 36 3.916 -11.045 1.474 1.00 0.04 C ATOM 489 C ASN A 36 5.216 -10.453 0.967 1.00 0.62 C ATOM 490 O ASN A 36 6.267 -10.878 1.418 1.00 -0.50 O ATOM 491 CB ASN A 36 3.470 -12.143 0.472 1.00 -0.09 C ATOM 492 CG ASN A 36 4.530 -13.208 0.333 1.00 0.68 C ATOM 493 OD1 ASN A 36 5.203 -13.251 -0.683 1.00 -0.47 O ATOM 494 ND2 ASN A 36 4.713 -14.082 1.343 1.00 -0.87 N ATOM 0 H ASN A 36 2.071 -10.128 1.014 1.00 -0.46 H new ATOM 0 HA ASN A 36 4.087 -11.468 2.464 1.00 0.04 H new ATOM 0 HB2 ASN A 36 2.538 -12.594 0.812 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 3.270 -11.694 -0.501 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 5.430 -14.804 1.269 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 4.135 -14.021 2.181 1.00 -0.87 H new ATOM 501 N GLN A 37 5.182 -9.490 0.020 1.00 -0.46 N ATOM 502 CA GLN A 37 6.426 -8.910 -0.484 1.00 0.04 C ATOM 503 C GLN A 37 7.060 -8.065 0.599 1.00 0.62 C ATOM 504 O GLN A 37 8.243 -8.205 0.865 1.00 -0.50 O ATOM 505 CB GLN A 37 6.199 -8.026 -1.744 1.00 -0.10 C ATOM 506 CG GLN A 37 5.723 -8.849 -2.974 1.00 -0.10 C ATOM 507 CD GLN A 37 5.657 -7.991 -4.215 1.00 0.68 C ATOM 508 OE1 GLN A 37 6.446 -8.185 -5.125 1.00 -0.47 O ATOM 509 NE2 GLN A 37 4.723 -7.024 -4.302 1.00 -0.87 N ATOM 0 H GLN A 37 4.330 -9.113 -0.395 1.00 -0.46 H new ATOM 0 HA GLN A 37 7.079 -9.735 -0.767 1.00 0.04 H new ATOM 0 HB2 GLN A 37 5.459 -7.259 -1.516 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 7.126 -7.510 -1.993 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 6.404 -9.683 -3.142 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 4.741 -9.275 -2.771 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 4.071 -6.874 -3.532 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 4.668 -6.441 -5.138 1.00 -0.87 H new ATOM 518 N ALA A 38 6.281 -7.168 1.240 1.00 -0.46 N ATOM 519 CA ALA A 38 6.847 -6.268 2.245 1.00 0.04 C ATOM 520 C ALA A 38 7.206 -6.992 3.527 1.00 0.62 C ATOM 521 O ALA A 38 6.522 -6.805 4.520 1.00 -0.50 O ATOM 522 CB ALA A 38 5.848 -5.119 2.518 1.00 -0.10 C ATOM 0 H ALA A 38 5.280 -7.055 1.079 1.00 -0.46 H new ATOM 0 HA ALA A 38 7.778 -5.858 1.853 1.00 0.04 H new ATOM 0 HB1 ALA A 38 6.265 -4.445 3.266 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 5.666 -4.568 1.595 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 4.909 -5.533 2.885 1.00 -0.10 H new ATOM 528 N ARG A 39 8.284 -7.812 3.528 1.00 -0.46 N ATOM 529 CA ARG A 39 8.699 -8.529 4.739 1.00 0.04 C ATOM 530 C ARG A 39 10.177 -8.355 5.039 1.00 0.62 C ATOM 531 O ARG A 39 10.492 -8.032 6.174 1.00 -0.50 O ATOM 532 CB ARG A 39 8.327 -10.031 4.610 1.00 -0.08 C ATOM 533 CG ARG A 39 6.798 -10.283 4.442 1.00 -0.10 C ATOM 534 CD ARG A 39 5.916 -9.948 5.683 1.00 -0.23 C ATOM 535 NE ARG A 39 6.225 -10.762 6.862 1.00 -0.32 N ATOM 536 CZ ARG A 39 5.667 -10.583 8.042 1.00 0.76 C ATOM 537 NH1 ARG A 39 4.761 -9.663 8.271 1.00 -0.62 N ATOM 538 NH2 ARG A 39 6.025 -11.357 9.037 1.00 -0.62 N ATOM 0 H ARG A 39 8.870 -7.987 2.711 1.00 -0.46 H new ATOM 0 HA ARG A 39 8.163 -8.096 5.584 1.00 0.04 H new ATOM 0 HB2 ARG A 39 8.853 -10.455 3.754 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 8.679 -10.561 5.495 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 6.442 -9.694 3.597 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 6.648 -11.332 4.185 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 6.044 -8.895 5.935 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 4.867 -10.087 5.421 1.00 -0.23 H new ATOM 0 HE ARG A 39 6.911 -11.510 6.763 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 4.459 -9.046 7.517 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 4.359 -9.564 9.203 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 6.725 -12.084 8.891 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 5.603 -11.232 9.957 1.00 -0.62 H new ATOM 552 N SER A 40 11.134 -8.543 4.100 1.00 -0.46 N ATOM 553 CA SER A 40 12.531 -8.277 4.456 1.00 0.04 C ATOM 554 C SER A 40 12.690 -6.815 4.819 1.00 0.62 C ATOM 555 O SER A 40 11.808 -6.020 4.529 1.00 -0.50 O ATOM 556 CB SER A 40 13.539 -8.661 3.341 1.00 0.02 C ATOM 557 OG SER A 40 14.898 -8.501 3.786 1.00 -0.55 O ATOM 0 H SER A 40 10.972 -8.860 3.144 1.00 -0.46 H new ATOM 0 HA SER A 40 12.766 -8.912 5.311 1.00 0.04 H new ATOM 0 HB2 SER A 40 13.373 -9.695 3.038 1.00 0.02 H new ATOM 0 HB3 SER A 40 13.366 -8.040 2.462 1.00 0.02 H new ATOM 0 HG SER A 40 15.511 -8.752 3.063 1.00 -0.55 H new ATOM 563 N GLN A 41 13.801 -6.417 5.474 1.00 -0.46 N ATOM 564 CA GLN A 41 13.961 -5.016 5.860 1.00 0.04 C ATOM 565 C GLN A 41 14.086 -4.186 4.602 1.00 0.62 C ATOM 566 O GLN A 41 13.411 -3.173 4.488 1.00 -0.50 O ATOM 567 CB GLN A 41 15.188 -4.791 6.789 1.00 -0.10 C ATOM 568 CG GLN A 41 14.990 -5.415 8.200 1.00 -0.10 C ATOM 569 CD GLN A 41 14.941 -6.923 8.242 1.00 0.68 C ATOM 570 OE1 GLN A 41 15.285 -7.574 7.268 1.00 -0.47 O ATOM 571 NE2 GLN A 41 14.517 -7.522 9.373 1.00 -0.87 N ATOM 0 H GLN A 41 14.573 -7.030 5.736 1.00 -0.46 H new ATOM 0 HA GLN A 41 13.085 -4.712 6.433 1.00 0.04 H new ATOM 0 HB2 GLN A 41 16.075 -5.223 6.325 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 15.371 -3.721 6.891 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 15.801 -5.077 8.845 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 14.064 -5.027 8.623 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 14.235 -6.957 10.174 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 14.479 -8.540 9.428 1.00 -0.87 H new ATOM 580 N SER A 42 14.934 -4.611 3.638 1.00 -0.46 N ATOM 581 CA SER A 42 15.021 -3.888 2.368 1.00 0.04 C ATOM 582 C SER A 42 13.639 -3.648 1.803 1.00 0.62 C ATOM 583 O SER A 42 13.342 -2.541 1.383 1.00 -0.50 O ATOM 584 CB SER A 42 15.828 -4.684 1.307 1.00 0.02 C ATOM 585 OG SER A 42 15.801 -4.015 0.035 1.00 -0.55 O ATOM 0 H SER A 42 15.545 -5.424 3.717 1.00 -0.46 H new ATOM 0 HA SER A 42 15.525 -2.945 2.579 1.00 0.04 H new ATOM 0 HB2 SER A 42 16.859 -4.799 1.640 1.00 0.02 H new ATOM 0 HB3 SER A 42 15.412 -5.686 1.204 1.00 0.02 H new ATOM 0 HG SER A 42 16.317 -4.533 -0.618 1.00 -0.55 H new ATOM 591 N ASP A 43 12.777 -4.689 1.802 1.00 -0.46 N ATOM 592 CA ASP A 43 11.459 -4.550 1.191 1.00 0.04 C ATOM 593 C ASP A 43 10.697 -3.412 1.833 1.00 0.62 C ATOM 594 O ASP A 43 10.135 -2.589 1.127 1.00 -0.50 O ATOM 595 CB ASP A 43 10.626 -5.856 1.315 1.00 -0.40 C ATOM 596 CG ASP A 43 11.371 -7.104 0.929 1.00 0.71 C ATOM 597 OD1 ASP A 43 12.338 -7.008 0.129 1.00 -0.72 O ATOM 598 OD2 ASP A 43 11.007 -8.193 1.453 1.00 -0.72 O ATOM 0 H ASP A 43 12.972 -5.604 2.207 1.00 -0.46 H new ATOM 0 HA ASP A 43 11.616 -4.340 0.133 1.00 0.04 H new ATOM 0 HB2 ASP A 43 10.281 -5.957 2.344 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 9.739 -5.768 0.688 1.00 -0.40 H new ATOM 603 N ARG A 44 10.671 -3.340 3.184 1.00 -0.46 N ATOM 604 CA ARG A 44 9.980 -2.225 3.835 1.00 0.04 C ATOM 605 C ARG A 44 10.555 -0.918 3.333 1.00 0.62 C ATOM 606 O ARG A 44 9.792 0.000 3.070 1.00 -0.50 O ATOM 607 CB ARG A 44 10.052 -2.271 5.394 1.00 -0.08 C ATOM 608 CG ARG A 44 8.830 -2.987 6.037 1.00 -0.10 C ATOM 609 CD ARG A 44 8.701 -4.490 5.666 1.00 -0.23 C ATOM 610 NE ARG A 44 9.740 -5.267 6.346 1.00 -0.32 N ATOM 611 CZ ARG A 44 9.684 -5.648 7.607 1.00 0.76 C ATOM 612 NH1 ARG A 44 8.690 -5.356 8.409 1.00 -0.62 N ATOM 613 NH2 ARG A 44 10.671 -6.359 8.095 1.00 -0.62 N ATOM 0 H ARG A 44 11.104 -4.015 3.815 1.00 -0.46 H new ATOM 0 HA ARG A 44 8.925 -2.310 3.574 1.00 0.04 H new ATOM 0 HB2 ARG A 44 10.966 -2.783 5.695 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 10.114 -1.253 5.780 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 8.900 -2.897 7.121 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 7.920 -2.470 5.733 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 7.715 -4.859 5.950 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 8.790 -4.615 4.587 1.00 -0.23 H new ATOM 0 HE ARG A 44 10.564 -5.532 5.806 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 7.903 -4.805 8.066 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 8.703 -5.680 9.376 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 11.463 -6.607 7.502 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 10.647 -6.664 9.068 1.00 -0.62 H new ATOM 627 N GLN A 45 11.894 -0.800 3.186 1.00 -0.46 N ATOM 628 CA GLN A 45 12.447 0.469 2.721 1.00 0.04 C ATOM 629 C GLN A 45 11.957 0.733 1.313 1.00 0.62 C ATOM 630 O GLN A 45 11.440 1.806 1.040 1.00 -0.50 O ATOM 631 CB GLN A 45 14.002 0.552 2.738 1.00 -0.10 C ATOM 632 CG GLN A 45 14.657 0.021 4.046 1.00 -0.10 C ATOM 633 CD GLN A 45 13.822 0.266 5.280 1.00 0.68 C ATOM 634 OE1 GLN A 45 13.609 1.417 5.624 1.00 -0.47 O ATOM 635 NE2 GLN A 45 13.331 -0.783 5.972 1.00 -0.87 N ATOM 0 H GLN A 45 12.575 -1.536 3.375 1.00 -0.46 H new ATOM 0 HA GLN A 45 12.099 1.223 3.427 1.00 0.04 H new ATOM 0 HB2 GLN A 45 14.394 -0.015 1.893 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 14.300 1.590 2.591 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 14.836 -1.049 3.945 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 15.630 0.496 4.175 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 13.525 -1.735 5.661 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 12.766 -0.624 6.806 1.00 -0.87 H new ATOM 644 N SER A 46 12.123 -0.237 0.388 1.00 -0.46 N ATOM 645 CA SER A 46 11.729 -0.004 -1.000 1.00 0.04 C ATOM 646 C SER A 46 10.253 0.316 -1.103 1.00 0.62 C ATOM 647 O SER A 46 9.904 1.298 -1.739 1.00 -0.50 O ATOM 648 CB SER A 46 12.068 -1.240 -1.873 1.00 0.02 C ATOM 649 OG SER A 46 13.462 -1.574 -1.765 1.00 -0.55 O ATOM 0 H SER A 46 12.516 -1.159 0.577 1.00 -0.46 H new ATOM 0 HA SER A 46 12.290 0.855 -1.367 1.00 0.04 H new ATOM 0 HB2 SER A 46 11.461 -2.089 -1.560 1.00 0.02 H new ATOM 0 HB3 SER A 46 11.818 -1.035 -2.914 1.00 0.02 H new ATOM 0 HG SER A 46 13.655 -2.357 -2.322 1.00 -0.55 H new ATOM 655 N ALA A 47 9.366 -0.494 -0.483 1.00 -0.46 N ATOM 656 CA ALA A 47 7.934 -0.197 -0.543 1.00 0.04 C ATOM 657 C ALA A 47 7.679 1.192 0.005 1.00 0.62 C ATOM 658 O ALA A 47 7.006 1.979 -0.642 1.00 -0.50 O ATOM 659 CB ALA A 47 7.099 -1.240 0.247 1.00 -0.10 C ATOM 0 H ALA A 47 9.613 -1.330 0.046 1.00 -0.46 H new ATOM 0 HA ALA A 47 7.623 -0.245 -1.586 1.00 0.04 H new ATOM 0 HB1 ALA A 47 6.041 -0.986 0.179 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 7.262 -2.232 -0.175 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 7.407 -1.236 1.293 1.00 -0.10 H new ATOM 665 N CYS A 48 8.225 1.518 1.199 1.00 -0.46 N ATOM 666 CA CYS A 48 8.031 2.859 1.752 1.00 0.04 C ATOM 667 C CYS A 48 8.463 3.924 0.764 1.00 0.62 C ATOM 668 O CYS A 48 7.727 4.880 0.574 1.00 -0.50 O ATOM 669 CB CYS A 48 8.815 3.038 3.080 1.00 -0.10 C ATOM 670 SG CYS A 48 8.886 4.800 3.539 1.00 0.82 S ATOM 0 H CYS A 48 8.784 0.888 1.775 1.00 -0.46 H new ATOM 0 HA CYS A 48 6.966 2.973 1.953 1.00 0.04 H new ATOM 0 HB2 CYS A 48 8.334 2.467 3.874 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 9.825 2.643 2.970 1.00 -0.10 H new ATOM 675 N ASN A 49 9.651 3.811 0.132 1.00 -0.46 N ATOM 676 CA ASN A 49 10.042 4.837 -0.838 1.00 0.04 C ATOM 677 C ASN A 49 9.051 4.851 -1.983 1.00 0.62 C ATOM 678 O ASN A 49 8.598 5.919 -2.367 1.00 -0.50 O ATOM 679 CB ASN A 49 11.481 4.640 -1.382 1.00 -0.09 C ATOM 680 CG ASN A 49 12.492 4.941 -0.301 1.00 0.68 C ATOM 681 OD1 ASN A 49 12.790 6.105 -0.088 1.00 -0.47 O ATOM 682 ND2 ASN A 49 13.037 3.940 0.416 1.00 -0.87 N ATOM 0 H ASN A 49 10.322 3.056 0.270 1.00 -0.46 H new ATOM 0 HA ASN A 49 10.034 5.795 -0.317 1.00 0.04 H new ATOM 0 HB2 ASN A 49 11.608 3.616 -1.734 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 11.647 5.294 -2.238 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 13.712 4.149 1.152 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 12.775 2.973 0.223 1.00 -0.87 H new ATOM 689 N CYS A 50 8.693 3.669 -2.533 1.00 -0.46 N ATOM 690 CA CYS A 50 7.703 3.624 -3.614 1.00 0.04 C ATOM 691 C CYS A 50 6.501 4.454 -3.213 1.00 0.62 C ATOM 692 O CYS A 50 6.056 5.295 -3.977 1.00 -0.50 O ATOM 693 CB CYS A 50 7.244 2.169 -3.954 1.00 -0.10 C ATOM 694 SG CYS A 50 7.257 1.829 -5.742 1.00 0.82 S ATOM 0 H CYS A 50 9.066 2.762 -2.252 1.00 -0.46 H new ATOM 0 HA CYS A 50 8.174 4.027 -4.511 1.00 0.04 H new ATOM 0 HB2 CYS A 50 7.898 1.458 -3.448 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 6.238 2.009 -3.565 1.00 -0.10 H new ATOM 699 N LEU A 51 5.979 4.227 -1.990 1.00 -0.46 N ATOM 700 CA LEU A 51 4.840 5.013 -1.516 1.00 0.04 C ATOM 701 C LEU A 51 5.176 6.486 -1.481 1.00 0.62 C ATOM 702 O LEU A 51 4.451 7.276 -2.067 1.00 -0.50 O ATOM 703 CB LEU A 51 4.382 4.476 -0.130 1.00 -0.06 C ATOM 704 CG LEU A 51 3.248 5.266 0.592 1.00 -0.01 C ATOM 705 CD1 LEU A 51 3.703 6.646 1.140 1.00 -0.11 C ATOM 706 CD2 LEU A 51 2.000 5.463 -0.300 1.00 -0.11 C ATOM 0 H LEU A 51 6.322 3.525 -1.335 1.00 -0.46 H new ATOM 0 HA LEU A 51 4.008 4.904 -2.211 1.00 0.04 H new ATOM 0 HB2 LEU A 51 4.049 3.446 -0.258 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 5.250 4.451 0.528 1.00 -0.06 H new ATOM 0 HG LEU A 51 2.984 4.636 1.442 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 2.862 7.138 1.629 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 4.509 6.504 1.860 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 4.057 7.266 0.316 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 1.242 6.019 0.252 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 2.277 6.019 -1.196 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 1.600 4.490 -0.586 1.00 -0.11 H new ATOM 718 N LYS A 52 6.274 6.888 -0.803 1.00 -0.46 N ATOM 719 CA LYS A 52 6.591 8.317 -0.716 1.00 0.04 C ATOM 720 C LYS A 52 6.771 8.920 -2.097 1.00 0.62 C ATOM 721 O LYS A 52 6.634 10.127 -2.222 1.00 -0.50 O ATOM 722 CB LYS A 52 7.839 8.609 0.168 1.00 -0.10 C ATOM 723 CG LYS A 52 7.707 8.170 1.660 1.00 -0.16 C ATOM 724 CD LYS A 52 7.141 9.239 2.647 1.00 -0.18 C ATOM 725 CE LYS A 52 5.691 9.710 2.349 1.00 -0.04 C ATOM 726 NZ LYS A 52 5.053 10.349 3.526 1.00 -0.14 N ATOM 0 H LYS A 52 6.928 6.266 -0.328 1.00 -0.46 H new ATOM 0 HA LYS A 52 5.738 8.789 -0.229 1.00 0.04 H new ATOM 0 HB2 LYS A 52 8.701 8.105 -0.269 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 8.046 9.679 0.136 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 7.064 7.291 1.703 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 8.691 7.863 2.015 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 7.173 8.831 3.657 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 7.799 10.108 2.633 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 5.704 10.415 1.518 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 5.092 8.856 2.033 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 4.505 9.639 4.052 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 5.787 10.748 4.145 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 4.419 11.109 3.207 1.00 -0.14 H new ATOM 740 N GLY A 53 7.066 8.123 -3.150 1.00 -0.46 N ATOM 741 CA GLY A 53 7.038 8.657 -4.512 1.00 0.04 C ATOM 742 C GLY A 53 5.645 8.677 -5.109 1.00 0.62 C ATOM 743 O GLY A 53 5.282 9.667 -5.724 1.00 -0.50 O ATOM 0 H GLY A 53 7.318 7.137 -3.078 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 7.441 9.670 -4.508 1.00 0.04 H new ATOM 0 HA3 GLY A 53 7.691 8.057 -5.146 1.00 0.04 H new ATOM 747 N ILE A 54 4.857 7.583 -4.978 1.00 -0.46 N ATOM 748 CA ILE A 54 3.623 7.447 -5.763 1.00 0.04 C ATOM 749 C ILE A 54 2.452 8.204 -5.164 1.00 0.62 C ATOM 750 O ILE A 54 2.066 9.231 -5.702 1.00 -0.50 O ATOM 751 CB ILE A 54 3.282 5.941 -6.014 1.00 -0.01 C ATOM 752 CG1 ILE A 54 4.399 5.242 -6.851 1.00 -0.05 C ATOM 753 CG2 ILE A 54 1.887 5.783 -6.691 1.00 -0.09 C ATOM 754 CD1 ILE A 54 4.374 3.692 -6.732 1.00 -0.09 C ATOM 0 H ILE A 54 5.053 6.803 -4.350 1.00 -0.46 H new ATOM 0 HA ILE A 54 3.811 7.914 -6.730 1.00 0.04 H new ATOM 0 HB ILE A 54 3.236 5.446 -5.044 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 4.288 5.521 -7.899 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 5.372 5.609 -6.525 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 1.679 4.725 -6.852 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 1.119 6.210 -6.046 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 1.886 6.303 -7.649 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 5.175 3.268 -7.337 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 4.515 3.405 -5.690 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 3.414 3.315 -7.085 1.00 -0.09 H new ATOM 766 N ALA A 55 1.830 7.717 -4.066 1.00 -0.46 N ATOM 767 CA ALA A 55 0.563 8.306 -3.626 1.00 0.04 C ATOM 768 C ALA A 55 0.796 9.680 -3.056 1.00 0.62 C ATOM 769 O ALA A 55 0.027 10.581 -3.347 1.00 -0.50 O ATOM 770 CB ALA A 55 -0.151 7.445 -2.559 1.00 -0.10 C ATOM 0 H ALA A 55 2.175 6.947 -3.493 1.00 -0.46 H new ATOM 0 HA ALA A 55 -0.077 8.359 -4.507 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -1.084 7.927 -2.268 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -0.365 6.459 -2.971 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 0.492 7.342 -1.685 1.00 -0.10 H new ATOM 776 N ARG A 56 1.866 9.869 -2.253 1.00 -0.46 N ATOM 777 CA ARG A 56 2.190 11.220 -1.794 1.00 0.04 C ATOM 778 C ARG A 56 2.216 12.123 -3.008 1.00 0.62 C ATOM 779 O ARG A 56 1.630 13.194 -2.971 1.00 -0.50 O ATOM 780 CB ARG A 56 3.539 11.205 -1.022 1.00 -0.08 C ATOM 781 CG ARG A 56 4.031 12.599 -0.525 1.00 -0.10 C ATOM 782 CD ARG A 56 4.818 13.417 -1.591 1.00 -0.23 C ATOM 783 NE ARG A 56 6.032 12.723 -2.038 1.00 -0.32 N ATOM 784 CZ ARG A 56 6.766 13.104 -3.063 1.00 0.76 C ATOM 785 NH1 ARG A 56 6.515 14.183 -3.760 1.00 -0.62 N ATOM 786 NH2 ARG A 56 7.800 12.374 -3.402 1.00 -0.62 N ATOM 0 H ARG A 56 2.491 9.132 -1.925 1.00 -0.46 H new ATOM 0 HA ARG A 56 1.443 11.599 -1.097 1.00 0.04 H new ATOM 0 HB2 ARG A 56 3.440 10.544 -0.161 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 4.305 10.775 -1.668 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 3.169 13.181 -0.201 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 4.666 12.457 0.349 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 4.173 13.607 -2.449 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 5.089 14.387 -1.175 1.00 -0.23 H new ATOM 0 HE ARG A 56 6.326 11.893 -1.522 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 5.719 14.773 -3.518 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 7.115 14.434 -4.546 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 8.023 11.529 -2.875 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 8.382 12.650 -4.193 1.00 -0.62 H new ATOM 800 N GLY A 57 2.880 11.696 -4.107 1.00 -0.46 N ATOM 801 CA GLY A 57 2.847 12.493 -5.332 1.00 0.04 C ATOM 802 C GLY A 57 1.422 12.762 -5.765 1.00 0.62 C ATOM 803 O GLY A 57 1.092 13.902 -6.052 1.00 -0.50 O ATOM 0 H GLY A 57 3.424 10.835 -4.162 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 3.366 13.438 -5.170 1.00 0.04 H new ATOM 0 HA3 GLY A 57 3.379 11.969 -6.126 1.00 0.04 H new ATOM 807 N ILE A 58 0.554 11.725 -5.815 1.00 -0.46 N ATOM 808 CA ILE A 58 -0.854 11.949 -6.159 1.00 0.04 C ATOM 809 C ILE A 58 -1.510 12.520 -4.916 1.00 0.62 C ATOM 810 O ILE A 58 -2.228 11.811 -4.230 1.00 -0.50 O ATOM 811 CB ILE A 58 -1.574 10.655 -6.659 1.00 -0.01 C ATOM 812 CG1 ILE A 58 -0.803 9.996 -7.846 1.00 -0.05 C ATOM 813 CG2 ILE A 58 -3.047 10.972 -7.060 1.00 -0.09 C ATOM 814 CD1 ILE A 58 -1.397 8.628 -8.280 1.00 -0.09 C ATOM 0 H ILE A 58 0.802 10.754 -5.626 1.00 -0.46 H new ATOM 0 HA ILE A 58 -0.931 12.640 -6.998 1.00 0.04 H new ATOM 0 HB ILE A 58 -1.585 9.938 -5.838 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -0.813 10.675 -8.698 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 0.240 9.857 -7.561 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -3.534 10.060 -7.406 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -3.583 11.364 -6.196 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -3.055 11.713 -7.859 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -0.815 8.225 -9.109 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -1.363 7.934 -7.441 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -2.431 8.764 -8.596 1.00 -0.09 H new ATOM 826 N HIS A 59 -1.279 13.809 -4.580 1.00 -0.46 N ATOM 827 CA HIS A 59 -1.847 14.348 -3.341 1.00 0.04 C ATOM 828 C HIS A 59 -3.359 14.230 -3.303 1.00 0.62 C ATOM 829 O HIS A 59 -3.897 13.932 -2.248 1.00 -0.50 O ATOM 830 CB HIS A 59 -1.463 15.841 -3.156 1.00 -0.10 C ATOM 831 CG HIS A 59 -1.986 16.450 -1.876 1.00 0.06 C ATOM 832 ND1 HIS A 59 -2.214 17.720 -1.705 1.00 -0.06 N ATOM 833 CD2 HIS A 59 -2.303 15.854 -0.720 1.00 -0.04 C ATOM 834 CE1 HIS A 59 -2.664 17.977 -0.513 1.00 0.11 C ATOM 835 NE2 HIS A 59 -2.707 16.812 0.064 1.00 -0.06 N ATOM 0 H HIS A 59 -0.725 14.466 -5.129 1.00 -0.46 H new ATOM 0 HA HIS A 59 -1.429 13.751 -2.530 1.00 0.04 H new ATOM 0 HB2 HIS A 59 -0.377 15.932 -3.174 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 -1.845 16.412 -4.002 1.00 -0.10 H new ATOM 0 HD2 HIS A 59 -2.238 14.801 -0.487 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 -2.939 18.936 -0.098 1.00 0.11 H new ATOM 0 HE2 HIS A 59 -3.022 16.665 1.023 1.00 -0.06 H new ATOM 844 N ASN A 60 -4.073 14.473 -4.427 1.00 -0.46 N ATOM 845 CA ASN A 60 -5.539 14.386 -4.409 1.00 0.04 C ATOM 846 C ASN A 60 -5.952 12.949 -4.159 1.00 0.62 C ATOM 847 O ASN A 60 -6.267 12.252 -5.112 1.00 -0.50 O ATOM 848 CB ASN A 60 -6.129 14.938 -5.737 1.00 -0.09 C ATOM 849 CG ASN A 60 -7.640 14.941 -5.711 1.00 0.68 C ATOM 850 OD1 ASN A 60 -8.229 15.991 -5.513 1.00 -0.47 O ATOM 851 ND2 ASN A 60 -8.307 13.785 -5.900 1.00 -0.87 N ATOM 0 H ASN A 60 -3.667 14.723 -5.329 1.00 -0.46 H new ATOM 0 HA ASN A 60 -5.937 15.000 -3.601 1.00 0.04 H new ATOM 0 HB2 ASN A 60 -5.765 15.951 -5.905 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 -5.779 14.331 -6.572 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 -9.327 13.775 -5.879 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 -7.792 12.920 -6.064 1.00 -0.87 H new ATOM 858 N LEU A 61 -5.938 12.481 -2.889 1.00 -0.46 N ATOM 859 CA LEU A 61 -6.095 11.050 -2.615 1.00 0.04 C ATOM 860 C LEU A 61 -6.531 10.830 -1.177 1.00 0.62 C ATOM 861 O LEU A 61 -6.289 11.723 -0.381 1.00 -0.50 O ATOM 862 CB LEU A 61 -4.717 10.461 -3.031 1.00 -0.06 C ATOM 863 CG LEU A 61 -4.453 8.960 -2.726 1.00 -0.01 C ATOM 864 CD1 LEU A 61 -3.434 8.394 -3.757 1.00 -0.11 C ATOM 865 CD2 LEU A 61 -3.893 8.788 -1.283 1.00 -0.11 C ATOM 0 H LEU A 61 -5.822 13.065 -2.061 1.00 -0.46 H new ATOM 0 HA LEU A 61 -6.886 10.542 -3.167 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -4.598 10.612 -4.104 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -3.940 11.045 -2.539 1.00 -0.06 H new ATOM 0 HG LEU A 61 -5.393 8.413 -2.801 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -3.248 7.341 -3.544 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -3.841 8.494 -4.763 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -2.499 8.949 -3.687 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -3.714 7.731 -1.086 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -2.957 9.339 -1.188 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -4.616 9.174 -0.564 1.00 -0.11 H new ATOM 877 N ASN A 62 -7.192 9.697 -0.825 1.00 -0.46 N ATOM 878 CA ASN A 62 -7.830 9.557 0.490 1.00 0.04 C ATOM 879 C ASN A 62 -7.242 8.397 1.272 1.00 0.62 C ATOM 880 O ASN A 62 -7.805 7.313 1.287 1.00 -0.50 O ATOM 881 CB ASN A 62 -9.357 9.414 0.236 1.00 -0.09 C ATOM 882 CG ASN A 62 -10.169 9.408 1.508 1.00 0.68 C ATOM 883 OD1 ASN A 62 -9.620 9.216 2.581 1.00 -0.47 O ATOM 884 ND2 ASN A 62 -11.499 9.609 1.422 1.00 -0.87 N ATOM 0 H ASN A 62 -7.291 8.883 -1.431 1.00 -0.46 H new ATOM 0 HA ASN A 62 -7.646 10.431 1.115 1.00 0.04 H new ATOM 0 HB2 ASN A 62 -9.692 10.234 -0.399 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 -9.544 8.490 -0.312 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 -12.071 9.603 2.266 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 -11.933 9.767 0.513 1.00 -0.87 H new ATOM 891 N GLU A 63 -6.093 8.617 1.950 1.00 -0.46 N ATOM 892 CA GLU A 63 -5.485 7.547 2.743 1.00 0.04 C ATOM 893 C GLU A 63 -6.425 6.986 3.788 1.00 0.62 C ATOM 894 O GLU A 63 -6.410 5.787 4.019 1.00 -0.50 O ATOM 895 CB GLU A 63 -4.173 7.998 3.449 1.00 -0.18 C ATOM 896 CG GLU A 63 -4.350 8.933 4.679 1.00 -0.40 C ATOM 897 CD GLU A 63 -4.951 10.260 4.299 1.00 0.71 C ATOM 898 OE1 GLU A 63 -6.199 10.314 4.132 1.00 -0.72 O ATOM 899 OE2 GLU A 63 -4.181 11.247 4.156 1.00 -0.72 O ATOM 0 H GLU A 63 -5.587 9.502 1.960 1.00 -0.46 H new ATOM 0 HA GLU A 63 -5.252 6.766 2.019 1.00 0.04 H new ATOM 0 HB2 GLU A 63 -3.631 7.108 3.769 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 -3.546 8.507 2.717 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 -4.987 8.445 5.416 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 -3.382 9.096 5.152 1.00 -0.40 H new ATOM 906 N ASP A 64 -7.243 7.823 4.462 1.00 -0.46 N ATOM 907 CA ASP A 64 -8.057 7.292 5.553 1.00 0.04 C ATOM 908 C ASP A 64 -9.114 6.362 4.995 1.00 0.62 C ATOM 909 O ASP A 64 -9.404 5.353 5.617 1.00 -0.50 O ATOM 910 CB ASP A 64 -8.623 8.420 6.453 1.00 -0.40 C ATOM 911 CG ASP A 64 -8.952 7.874 7.819 1.00 0.71 C ATOM 912 OD1 ASP A 64 -7.989 7.659 8.612 1.00 -0.72 O ATOM 913 OD2 ASP A 64 -10.157 7.652 8.107 1.00 -0.72 O ATOM 0 H ASP A 64 -7.349 8.820 4.276 1.00 -0.46 H new ATOM 0 HA ASP A 64 -7.428 6.699 6.217 1.00 0.04 H new ATOM 0 HB2 ASP A 64 -7.895 9.226 6.540 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 -9.517 8.846 5.998 1.00 -0.40 H new ATOM 918 N ASN A 65 -9.683 6.643 3.801 1.00 -0.46 N ATOM 919 CA ASN A 65 -10.545 5.643 3.168 1.00 0.04 C ATOM 920 C ASN A 65 -9.741 4.369 3.008 1.00 0.62 C ATOM 921 O ASN A 65 -10.188 3.320 3.445 1.00 -0.50 O ATOM 922 CB ASN A 65 -11.066 6.105 1.778 1.00 -0.09 C ATOM 923 CG ASN A 65 -11.964 5.091 1.110 1.00 0.68 C ATOM 924 OD1 ASN A 65 -12.666 4.370 1.800 1.00 -0.47 O ATOM 925 ND2 ASN A 65 -11.985 5.008 -0.238 1.00 -0.87 N ATOM 0 H ASN A 65 -9.565 7.514 3.283 1.00 -0.46 H new ATOM 0 HA ASN A 65 -11.419 5.488 3.800 1.00 0.04 H new ATOM 0 HB2 ASN A 65 -11.611 7.042 1.895 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 -10.215 6.310 1.129 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 -12.596 4.333 -0.698 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 -11.390 5.620 -0.796 1.00 -0.87 H new ATOM 932 N ALA A 66 -8.537 4.442 2.393 1.00 -0.46 N ATOM 933 CA ALA A 66 -7.742 3.228 2.184 1.00 0.04 C ATOM 934 C ALA A 66 -7.580 2.419 3.449 1.00 0.62 C ATOM 935 O ALA A 66 -7.523 1.203 3.357 1.00 -0.50 O ATOM 936 CB ALA A 66 -6.323 3.542 1.655 1.00 -0.10 C ATOM 0 H ALA A 66 -8.113 5.302 2.046 1.00 -0.46 H new ATOM 0 HA ALA A 66 -8.301 2.654 1.445 1.00 0.04 H new ATOM 0 HB1 ALA A 66 -5.772 2.612 1.516 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 -6.398 4.065 0.702 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 -5.798 4.171 2.374 1.00 -0.10 H new ATOM 942 N ARG A 67 -7.512 3.072 4.630 1.00 -0.46 N ATOM 943 CA ARG A 67 -7.454 2.330 5.894 1.00 0.04 C ATOM 944 C ARG A 67 -8.393 1.136 5.879 1.00 0.62 C ATOM 945 O ARG A 67 -8.025 0.070 6.346 1.00 -0.50 O ATOM 946 CB ARG A 67 -7.889 3.229 7.089 1.00 -0.08 C ATOM 947 CG ARG A 67 -7.351 2.745 8.464 1.00 -0.10 C ATOM 948 CD ARG A 67 -5.825 3.020 8.652 1.00 -0.23 C ATOM 949 NE ARG A 67 -5.346 4.242 7.983 1.00 -0.32 N ATOM 950 CZ ARG A 67 -5.670 5.470 8.337 1.00 0.76 C ATOM 951 NH1 ARG A 67 -6.407 5.746 9.380 1.00 -0.62 N ATOM 952 NH2 ARG A 67 -5.242 6.472 7.607 1.00 -0.62 N ATOM 0 H ARG A 67 -7.497 4.087 4.728 1.00 -0.46 H new ATOM 0 HA ARG A 67 -6.421 2.002 6.009 1.00 0.04 H new ATOM 0 HB2 ARG A 67 -7.542 4.247 6.911 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 -8.978 3.265 7.127 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 -7.905 3.242 9.260 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 -7.537 1.676 8.565 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 -5.609 3.094 9.718 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 -5.264 2.167 8.271 1.00 -0.23 H new ATOM 0 HE ARG A 67 -4.718 4.130 7.187 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 -6.763 4.992 9.967 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 -6.627 6.716 9.607 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 -4.669 6.294 6.782 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 -5.482 7.429 7.864 1.00 -0.62 H new ATOM 966 N SER A 68 -9.624 1.314 5.344 1.00 -0.46 N ATOM 967 CA SER A 68 -10.610 0.231 5.347 1.00 0.04 C ATOM 968 C SER A 68 -10.264 -0.955 4.471 1.00 0.62 C ATOM 969 O SER A 68 -10.895 -1.987 4.635 1.00 -0.50 O ATOM 970 CB SER A 68 -11.976 0.776 4.849 1.00 0.02 C ATOM 971 OG SER A 68 -12.339 1.975 5.552 1.00 -0.55 O ATOM 0 H SER A 68 -9.945 2.182 4.915 1.00 -0.46 H new ATOM 0 HA SER A 68 -10.635 -0.121 6.378 1.00 0.04 H new ATOM 0 HB2 SER A 68 -11.922 0.979 3.779 1.00 0.02 H new ATOM 0 HB3 SER A 68 -12.747 0.019 4.991 1.00 0.02 H new ATOM 0 HG SER A 68 -13.202 2.300 5.220 1.00 -0.55 H new ATOM 977 N ILE A 69 -9.306 -0.859 3.522 1.00 -0.46 N ATOM 978 CA ILE A 69 -9.049 -1.987 2.624 1.00 0.04 C ATOM 979 C ILE A 69 -8.720 -3.247 3.414 1.00 0.62 C ATOM 980 O ILE A 69 -9.478 -4.195 3.278 1.00 -0.50 O ATOM 981 CB ILE A 69 -8.039 -1.669 1.473 1.00 -0.01 C ATOM 982 CG1 ILE A 69 -8.600 -0.578 0.509 1.00 -0.05 C ATOM 983 CG2 ILE A 69 -7.708 -2.980 0.700 1.00 -0.09 C ATOM 984 CD1 ILE A 69 -7.522 0.047 -0.421 1.00 -0.09 C ATOM 0 H ILE A 69 -8.720 -0.038 3.367 1.00 -0.46 H new ATOM 0 HA ILE A 69 -9.977 -2.185 2.088 1.00 0.04 H new ATOM 0 HB ILE A 69 -7.124 -1.270 1.910 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 -9.386 -1.017 -0.105 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 -9.061 0.214 1.099 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 -7.004 -2.761 -0.103 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 -7.265 -3.704 1.384 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 -8.623 -3.394 0.277 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 -7.985 0.797 -1.062 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 -6.747 0.517 0.185 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 -7.077 -0.734 -1.038 1.00 -0.09 H new ATOM 996 N PRO A 70 -7.644 -3.378 4.234 1.00 -0.23 N ATOM 997 CA PRO A 70 -7.424 -4.635 4.933 1.00 0.04 C ATOM 998 C PRO A 70 -8.610 -5.181 5.715 1.00 0.53 C ATOM 999 O PRO A 70 -8.951 -6.324 5.443 1.00 -0.50 O ATOM 1000 CB PRO A 70 -6.134 -4.341 5.747 1.00 -0.12 C ATOM 1001 CG PRO A 70 -5.868 -2.815 5.628 1.00 -0.12 C ATOM 1002 CD PRO A 70 -6.599 -2.373 4.339 1.00 -0.01 C ATOM 0 HA PRO A 70 -7.302 -5.480 4.255 1.00 0.04 H new ATOM 0 HB2 PRO A 70 -6.260 -4.632 6.790 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 -5.292 -4.912 5.357 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 -6.248 -2.280 6.499 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 -4.800 -2.605 5.566 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 -7.007 -1.366 4.424 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 -5.939 -2.377 3.472 1.00 -0.01 H new ATOM 1010 N PRO A 71 -9.295 -4.483 6.660 1.00 -0.23 N ATOM 1011 CA PRO A 71 -10.447 -5.084 7.330 1.00 0.04 C ATOM 1012 C PRO A 71 -11.653 -5.075 6.411 1.00 0.53 C ATOM 1013 O PRO A 71 -12.616 -4.367 6.659 1.00 -0.50 O ATOM 1014 CB PRO A 71 -10.581 -4.116 8.533 1.00 -0.12 C ATOM 1015 CG PRO A 71 -10.157 -2.761 7.926 1.00 -0.12 C ATOM 1016 CD PRO A 71 -8.923 -3.141 7.076 1.00 -0.01 C ATOM 0 HA PRO A 71 -10.353 -6.131 7.620 1.00 0.04 H new ATOM 0 HB2 PRO A 71 -11.601 -4.086 8.917 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 -9.936 -4.408 9.362 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 -10.949 -2.324 7.318 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 -9.909 -2.032 8.697 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 -8.779 -2.469 6.230 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 -8.000 -3.127 7.655 1.00 -0.01 H new ATOM 1024 N LYS A 72 -11.607 -5.887 5.333 1.00 -0.46 N ATOM 1025 CA LYS A 72 -12.725 -5.976 4.390 1.00 0.04 C ATOM 1026 C LYS A 72 -12.571 -7.245 3.576 1.00 0.62 C ATOM 1027 O LYS A 72 -13.430 -8.110 3.649 1.00 -0.50 O ATOM 1028 CB LYS A 72 -12.806 -4.712 3.488 1.00 -0.10 C ATOM 1029 CG LYS A 72 -13.994 -4.777 2.488 1.00 -0.16 C ATOM 1030 CD LYS A 72 -13.967 -3.627 1.439 1.00 -0.18 C ATOM 1031 CE LYS A 72 -14.013 -2.213 2.080 1.00 -0.04 C ATOM 1032 NZ LYS A 72 -14.223 -1.167 1.053 1.00 -0.14 N ATOM 0 H LYS A 72 -10.812 -6.482 5.102 1.00 -0.46 H new ATOM 0 HA LYS A 72 -13.666 -6.018 4.939 1.00 0.04 H new ATOM 0 HB2 LYS A 72 -12.910 -3.827 4.115 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 -11.873 -4.603 2.934 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 -13.974 -5.735 1.969 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 -14.932 -4.734 3.042 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 -13.064 -3.716 0.835 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 -14.815 -3.740 0.763 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 -14.816 -2.170 2.816 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 -13.082 -2.022 2.613 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 -13.711 -0.304 1.326 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 -13.867 -1.505 0.136 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 -15.238 -0.957 0.974 1.00 -0.14 H new ATOM 1046 N CYS A 73 -11.469 -7.397 2.803 1.00 -0.46 N ATOM 1047 CA CYS A 73 -11.230 -8.671 2.125 1.00 0.04 C ATOM 1048 C CYS A 73 -10.854 -9.728 3.147 1.00 0.62 C ATOM 1049 O CYS A 73 -11.263 -10.864 2.971 1.00 -0.50 O ATOM 1050 CB CYS A 73 -10.111 -8.536 1.061 1.00 -0.10 C ATOM 1051 SG CYS A 73 -10.041 -10.054 0.052 1.00 0.82 S ATOM 0 H CYS A 73 -10.763 -6.678 2.643 1.00 -0.46 H new ATOM 0 HA CYS A 73 -12.146 -8.968 1.613 1.00 0.04 H new ATOM 0 HB2 CYS A 73 -10.303 -7.672 0.424 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 -9.151 -8.366 1.548 1.00 -0.10 H new ATOM 1056 N GLY A 74 -10.078 -9.369 4.201 1.00 -0.46 N ATOM 1057 CA GLY A 74 -9.743 -10.310 5.275 1.00 0.04 C ATOM 1058 C GLY A 74 -8.246 -10.511 5.367 1.00 0.62 C ATOM 1059 O GLY A 74 -7.780 -11.604 5.089 1.00 -0.50 O ATOM 0 H GLY A 74 -9.679 -8.438 4.321 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 -10.123 -9.934 6.225 1.00 0.04 H new ATOM 0 HA3 GLY A 74 -10.232 -11.267 5.092 1.00 0.04 H new ATOM 1063 N VAL A 75 -7.476 -9.460 5.738 1.00 -0.46 N ATOM 1064 CA VAL A 75 -6.011 -9.549 5.708 1.00 0.04 C ATOM 1065 C VAL A 75 -5.404 -8.332 6.385 1.00 0.62 C ATOM 1066 O VAL A 75 -6.108 -7.338 6.476 1.00 -0.50 O ATOM 1067 CB VAL A 75 -5.553 -9.677 4.222 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 -6.237 -8.593 3.347 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 -4.010 -9.622 4.049 1.00 -0.09 C ATOM 0 H VAL A 75 -7.843 -8.562 6.054 1.00 -0.46 H new ATOM 0 HA VAL A 75 -5.668 -10.427 6.256 1.00 0.04 H new ATOM 0 HB VAL A 75 -5.867 -10.665 3.886 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 -5.906 -8.697 2.314 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 -7.319 -8.716 3.396 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 -5.967 -7.604 3.716 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 -3.759 -9.717 2.993 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 -3.635 -8.671 4.428 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 -3.552 -10.440 4.605 1.00 -0.09 H new ATOM 1079 N ASN A 76 -4.136 -8.374 6.866 1.00 -0.46 N ATOM 1080 CA ASN A 76 -3.528 -7.213 7.527 1.00 0.04 C ATOM 1081 C ASN A 76 -2.111 -6.977 7.040 1.00 0.62 C ATOM 1082 O ASN A 76 -1.568 -7.847 6.378 1.00 -0.50 O ATOM 1083 CB ASN A 76 -3.563 -7.424 9.062 1.00 -0.09 C ATOM 1084 CG ASN A 76 -2.770 -8.655 9.425 1.00 0.68 C ATOM 1085 OD1 ASN A 76 -1.581 -8.540 9.675 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 -3.386 -9.855 9.452 1.00 -0.87 N ATOM 0 H ASN A 76 -3.529 -9.192 6.806 1.00 -0.46 H new ATOM 0 HA ASN A 76 -4.102 -6.322 7.274 1.00 0.04 H new ATOM 0 HB2 ASN A 76 -3.150 -6.551 9.568 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 -4.594 -7.531 9.401 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 -2.857 -10.695 9.686 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 -4.381 -9.922 9.239 1.00 -0.87 H new ATOM 1093 N LEU A 77 -1.520 -5.794 7.344 1.00 -0.46 N ATOM 1094 CA LEU A 77 -0.198 -5.409 6.828 1.00 0.04 C ATOM 1095 C LEU A 77 0.763 -5.241 7.993 1.00 0.62 C ATOM 1096 O LEU A 77 0.255 -5.015 9.080 1.00 -0.50 O ATOM 1097 CB LEU A 77 -0.314 -4.011 6.149 1.00 -0.06 C ATOM 1098 CG LEU A 77 -0.998 -3.979 4.750 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 -2.341 -4.753 4.722 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 -1.242 -2.499 4.337 1.00 -0.11 C ATOM 0 H LEU A 77 -1.948 -5.092 7.948 1.00 -0.46 H new ATOM 0 HA LEU A 77 0.151 -6.171 6.131 1.00 0.04 H new ATOM 0 HB2 LEU A 77 -0.869 -3.351 6.816 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 0.688 -3.594 6.050 1.00 -0.06 H new ATOM 0 HG LEU A 77 -0.329 -4.473 4.046 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 -2.773 -4.697 3.723 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 -2.165 -5.797 4.983 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 -3.031 -4.311 5.441 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 -1.721 -2.469 3.358 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 -1.888 -2.018 5.072 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 -0.289 -1.972 4.291 1.00 -0.11 H new ATOM 1112 N PRO A 78 2.117 -5.296 7.870 1.00 -0.23 N ATOM 1113 CA PRO A 78 2.957 -4.964 9.017 1.00 0.04 C ATOM 1114 C PRO A 78 2.746 -3.520 9.439 1.00 0.53 C ATOM 1115 O PRO A 78 2.853 -3.245 10.623 1.00 -0.50 O ATOM 1116 CB PRO A 78 4.368 -5.270 8.453 1.00 -0.12 C ATOM 1117 CG PRO A 78 4.209 -5.110 6.927 1.00 -0.12 C ATOM 1118 CD PRO A 78 2.794 -5.668 6.632 1.00 -0.01 C ATOM 0 HA PRO A 78 2.751 -5.517 9.934 1.00 0.04 H new ATOM 0 HB2 PRO A 78 5.114 -4.581 8.850 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 4.692 -6.277 8.716 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 4.297 -4.066 6.625 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 4.976 -5.664 6.386 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 2.339 -5.210 5.754 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 2.796 -6.745 6.465 1.00 -0.01 H new ATOM 1126 N TYR A 79 2.419 -2.590 8.510 1.00 -0.46 N ATOM 1127 CA TYR A 79 2.000 -1.240 8.901 1.00 0.04 C ATOM 1128 C TYR A 79 1.015 -0.723 7.877 1.00 0.62 C ATOM 1129 O TYR A 79 1.007 -1.248 6.776 1.00 -0.50 O ATOM 1130 CB TYR A 79 3.188 -0.256 9.037 1.00 -0.10 C ATOM 1131 CG TYR A 79 3.816 -0.008 7.662 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 4.679 -0.970 7.130 1.00 0.00 C ATOM 1133 CD2 TYR A 79 3.545 1.154 6.930 1.00 0.00 C ATOM 1134 CE1 TYR A 79 5.239 -0.782 5.865 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 4.170 1.373 5.699 1.00 -0.26 C ATOM 1136 CZ TYR A 79 5.036 0.414 5.169 1.00 0.46 C ATOM 1137 OH TYR A 79 5.691 0.673 3.964 1.00 -0.53 O ATOM 0 H TYR A 79 2.439 -2.754 7.503 1.00 -0.46 H new ATOM 0 HA TYR A 79 1.538 -1.305 9.886 1.00 0.04 H new ATOM 0 HB2 TYR A 79 2.845 0.686 9.466 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 3.934 -0.664 9.719 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 4.913 -1.859 7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.850 1.884 7.318 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.834 -1.566 5.420 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 3.982 2.287 5.156 1.00 -0.26 H new ATOM 0 HH TYR A 79 5.846 -0.170 3.488 1.00 -0.53 H new ATOM 1147 N THR A 80 0.170 0.281 8.194 1.00 -0.46 N ATOM 1148 CA THR A 80 -0.894 0.643 7.259 1.00 0.04 C ATOM 1149 C THR A 80 -0.333 1.393 6.071 1.00 0.62 C ATOM 1150 O THR A 80 -0.214 0.796 5.013 1.00 -0.50 O ATOM 1151 CB THR A 80 -2.016 1.448 7.970 1.00 0.17 C ATOM 1152 OG1 THR A 80 -1.393 2.577 8.603 1.00 -0.55 O ATOM 1153 CG2 THR A 80 -2.740 0.570 9.028 1.00 -0.19 C ATOM 0 H THR A 80 0.205 0.829 9.053 1.00 -0.46 H new ATOM 0 HA THR A 80 -1.345 -0.276 6.885 1.00 0.04 H new ATOM 0 HB THR A 80 -2.766 1.771 7.248 1.00 0.17 H new ATOM 0 HG1 THR A 80 -2.074 3.111 9.062 1.00 -0.55 H new ATOM 0 HG21 THR A 80 -3.522 1.155 9.513 1.00 -0.19 H new ATOM 0 HG22 THR A 80 -3.186 -0.296 8.539 1.00 -0.19 H new ATOM 0 HG23 THR A 80 -2.021 0.234 9.776 1.00 -0.19 H new ATOM 1161 N ILE A 81 0.011 2.695 6.206 1.00 -0.46 N ATOM 1162 CA ILE A 81 0.452 3.462 5.035 1.00 0.04 C ATOM 1163 C ILE A 81 1.154 4.744 5.443 1.00 0.62 C ATOM 1164 O ILE A 81 0.735 5.336 6.424 1.00 -0.50 O ATOM 1165 CB ILE A 81 -0.768 3.726 4.097 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 -0.327 4.409 2.769 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 -1.871 4.536 4.837 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 -1.404 4.332 1.653 1.00 -0.09 C ATOM 0 H ILE A 81 -0.009 3.215 7.084 1.00 -0.46 H new ATOM 0 HA ILE A 81 1.188 2.878 4.481 1.00 0.04 H new ATOM 0 HB ILE A 81 -1.201 2.764 3.825 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 -0.092 5.455 2.967 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 0.590 3.938 2.413 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 -2.710 4.707 4.163 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 -2.213 3.975 5.707 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 -1.464 5.494 5.160 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 -1.033 4.826 0.755 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 -1.622 3.288 1.429 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 -2.314 4.828 1.991 1.00 -0.09 H new ATOM 1180 N SER A 82 2.218 5.202 4.737 1.00 -0.46 N ATOM 1181 CA SER A 82 2.993 6.360 5.206 1.00 0.04 C ATOM 1182 C SER A 82 2.532 7.685 4.641 1.00 0.62 C ATOM 1183 O SER A 82 3.349 8.467 4.177 1.00 -0.50 O ATOM 1184 CB SER A 82 4.498 6.144 4.922 1.00 0.02 C ATOM 1185 OG SER A 82 5.242 7.217 5.530 1.00 -0.55 O ATOM 0 H SER A 82 2.547 4.793 3.862 1.00 -0.46 H new ATOM 0 HA SER A 82 2.820 6.423 6.280 1.00 0.04 H new ATOM 0 HB2 SER A 82 4.824 5.184 5.322 1.00 0.02 H new ATOM 0 HB3 SER A 82 4.680 6.120 3.848 1.00 0.02 H new ATOM 0 HG SER A 82 4.984 8.068 5.118 1.00 -0.55 H new ATOM 1191 N LEU A 83 1.212 7.961 4.695 1.00 -0.46 N ATOM 1192 CA LEU A 83 0.696 9.278 4.316 1.00 0.04 C ATOM 1193 C LEU A 83 0.341 10.017 5.590 1.00 0.62 C ATOM 1194 O LEU A 83 0.905 11.076 5.817 1.00 -0.50 O ATOM 1195 CB LEU A 83 -0.484 9.104 3.324 1.00 -0.06 C ATOM 1196 CG LEU A 83 -0.025 8.458 1.980 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 -1.256 7.943 1.189 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 0.791 9.434 1.088 1.00 -0.11 C ATOM 0 H LEU A 83 0.499 7.295 4.994 1.00 -0.46 H new ATOM 0 HA LEU A 83 1.435 9.880 3.787 1.00 0.04 H new ATOM 0 HB2 LEU A 83 -1.254 8.482 3.781 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 -0.936 10.075 3.124 1.00 -0.06 H new ATOM 0 HG LEU A 83 0.632 7.628 2.240 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 -0.925 7.494 0.253 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 -1.784 7.197 1.783 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 -1.926 8.776 0.975 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 1.082 8.928 0.167 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 0.180 10.304 0.846 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 1.684 9.756 1.623 1.00 -0.11 H new ATOM 1210 N ASN A 84 -0.555 9.466 6.444 1.00 -0.46 N ATOM 1211 CA ASN A 84 -0.812 10.061 7.759 1.00 0.04 C ATOM 1212 C ASN A 84 -0.303 9.163 8.874 1.00 0.62 C ATOM 1213 O ASN A 84 -0.784 9.316 9.985 1.00 -0.50 O ATOM 1214 CB ASN A 84 -2.333 10.374 7.843 1.00 -0.09 C ATOM 1215 CG ASN A 84 -2.696 11.366 8.926 1.00 0.68 C ATOM 1216 OD1 ASN A 84 -2.993 12.508 8.615 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 -2.690 10.978 10.216 1.00 -0.87 N ATOM 0 H ASN A 84 -1.098 8.626 6.243 1.00 -0.46 H new ATOM 0 HA ASN A 84 -0.263 10.994 7.887 1.00 0.04 H new ATOM 0 HB2 ASN A 84 -2.668 10.763 6.881 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 -2.876 9.445 8.018 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 -2.936 11.643 10.950 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 -2.439 10.020 10.459 1.00 -0.87 H new ATOM 1224 N ILE A 85 0.651 8.224 8.628 1.00 -0.46 N ATOM 1225 CA ILE A 85 1.208 7.404 9.711 1.00 0.04 C ATOM 1226 C ILE A 85 2.728 7.460 9.621 1.00 0.62 C ATOM 1227 O ILE A 85 3.260 8.454 10.089 1.00 -0.50 O ATOM 1228 CB ILE A 85 0.578 5.979 9.839 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 -0.978 6.015 9.986 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 1.195 5.238 11.064 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 -1.747 6.126 8.640 1.00 -0.09 C ATOM 0 H ILE A 85 1.037 8.027 7.704 1.00 -0.46 H new ATOM 0 HA ILE A 85 0.919 7.829 10.672 1.00 0.04 H new ATOM 0 HB ILE A 85 0.806 5.447 8.915 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 -1.303 5.112 10.503 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 -1.252 6.860 10.618 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 0.753 4.245 11.149 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 2.272 5.145 10.928 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 0.992 5.805 11.972 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 -2.819 6.145 8.834 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 -1.455 7.043 8.129 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 -1.507 5.268 8.012 1.00 -0.09 H new ATOM 1243 N ASP A 86 3.473 6.478 9.049 1.00 -0.46 N ATOM 1244 CA ASP A 86 4.935 6.580 9.050 1.00 0.04 C ATOM 1245 C ASP A 86 5.619 5.628 8.082 1.00 0.62 C ATOM 1246 O ASP A 86 5.037 4.616 7.722 1.00 -0.50 O ATOM 1247 CB ASP A 86 5.458 6.288 10.483 1.00 -0.40 C ATOM 1248 CG ASP A 86 6.960 6.375 10.526 1.00 0.71 C ATOM 1249 OD1 ASP A 86 7.495 7.512 10.454 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 7.620 5.302 10.592 1.00 -0.72 O ATOM 0 H ASP A 86 3.094 5.643 8.601 1.00 -0.46 H new ATOM 0 HA ASP A 86 5.176 7.592 8.724 1.00 0.04 H new ATOM 0 HB2 ASP A 86 5.027 7.001 11.186 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 5.137 5.295 10.798 1.00 -0.40 H new ATOM 1255 N CYS A 87 6.871 5.940 7.665 1.00 -0.46 N ATOM 1256 CA CYS A 87 7.621 5.066 6.755 1.00 0.04 C ATOM 1257 C CYS A 87 7.850 3.669 7.284 1.00 0.62 C ATOM 1258 O CYS A 87 8.138 2.815 6.460 1.00 -0.50 O ATOM 1259 CB CYS A 87 8.984 5.732 6.427 1.00 -0.10 C ATOM 1260 SG CYS A 87 10.005 4.804 5.234 1.00 0.82 S ATOM 0 H CYS A 87 7.371 6.784 7.946 1.00 -0.46 H new ATOM 0 HA CYS A 87 7.009 4.948 5.861 1.00 0.04 H new ATOM 0 HB2 CYS A 87 8.801 6.731 6.031 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 9.547 5.854 7.352 1.00 -0.10 H new ATOM 1265 N SER A 88 7.751 3.398 8.605 1.00 -0.46 N ATOM 1266 CA SER A 88 7.928 2.030 9.093 1.00 0.04 C ATOM 1267 C SER A 88 9.250 1.484 8.603 1.00 0.62 C ATOM 1268 O SER A 88 9.289 0.456 7.945 1.00 -0.50 O ATOM 1269 CB SER A 88 6.709 1.168 8.667 1.00 0.02 C ATOM 1270 OG SER A 88 6.782 -0.165 9.204 1.00 -0.55 O ATOM 0 H SER A 88 7.555 4.092 9.326 1.00 -0.46 H new ATOM 0 HA SER A 88 7.965 2.008 10.182 1.00 0.04 H new ATOM 0 HB2 SER A 88 5.790 1.646 9.006 1.00 0.02 H new ATOM 0 HB3 SER A 88 6.661 1.119 7.579 1.00 0.02 H new ATOM 0 HG SER A 88 6.165 -0.749 8.716 1.00 -0.55 H new ATOM 1276 N ARG A 89 10.365 2.184 8.919 1.00 -0.46 N ATOM 1277 CA ARG A 89 11.678 1.722 8.464 1.00 0.04 C ATOM 1278 C ARG A 89 12.094 0.528 9.298 1.00 0.62 C ATOM 1279 O ARG A 89 13.018 0.641 10.088 1.00 -0.50 O ATOM 1280 CB ARG A 89 12.756 2.843 8.541 1.00 -0.08 C ATOM 1281 CG ARG A 89 12.441 4.019 7.577 1.00 -0.10 C ATOM 1282 CD ARG A 89 13.490 5.163 7.678 1.00 -0.23 C ATOM 1283 NE ARG A 89 13.423 5.882 8.957 1.00 -0.32 N ATOM 1284 CZ ARG A 89 14.257 6.839 9.305 1.00 0.76 C ATOM 1285 NH1 ARG A 89 15.228 7.253 8.528 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 14.119 7.410 10.477 1.00 -0.62 N ATOM 0 H ARG A 89 10.375 3.042 9.470 1.00 -0.46 H new ATOM 0 HA ARG A 89 11.597 1.437 7.415 1.00 0.04 H new ATOM 0 HB2 ARG A 89 12.817 3.218 9.563 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 13.732 2.425 8.296 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 12.409 3.648 6.553 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 11.451 4.416 7.803 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 14.489 4.746 7.552 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 13.333 5.867 6.861 1.00 -0.23 H new ATOM 0 HE ARG A 89 12.687 5.625 9.614 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 15.362 6.830 7.610 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 15.850 7.998 8.842 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 13.373 7.111 11.105 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 14.758 8.153 10.761 1.00 -0.62 H new ATOM 1300 N VAL A 90 11.436 -0.643 9.141 1.00 -0.46 N ATOM 1301 CA VAL A 90 11.849 -1.807 9.923 1.00 0.04 C ATOM 1302 C VAL A 90 13.138 -2.307 9.319 1.00 0.62 C ATOM 1303 O VAL A 90 13.221 -2.521 8.118 1.00 -0.50 O ATOM 1304 CB VAL A 90 10.785 -2.943 9.964 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 11.296 -4.134 10.824 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 9.437 -2.420 10.535 1.00 -0.09 C ATOM 1307 OXT VAL A 90 14.154 -2.486 10.170 1.00 0.00 O ATOM 0 H VAL A 90 10.652 -0.796 8.507 1.00 -0.46 H new ATOM 0 HA VAL A 90 11.977 -1.504 10.962 1.00 0.04 H new ATOM 0 HB VAL A 90 10.620 -3.286 8.943 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 10.541 -4.920 10.843 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 12.217 -4.526 10.392 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 11.489 -3.792 11.841 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 8.710 -3.232 10.553 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 9.591 -2.048 11.548 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 9.063 -1.613 9.905 1.00 -0.09 H new TER 1318 VAL A 90 HETATM 1319 C1 E2P A 91 -3.879 -2.255 1.428 1.00 -0.12 C HETATM 1320 C2 E2P A 91 -2.791 -2.681 0.403 1.00 -0.07 C HETATM 1321 C3 E2P A 91 -3.119 -2.347 -1.086 1.00 -0.07 C HETATM 1322 C4 E2P A 91 -2.730 -0.904 -1.508 1.00 -0.07 C HETATM 1323 C5 E2P A 91 -3.702 0.196 -0.981 1.00 -0.06 C HETATM 1324 C6 E2P A 91 -2.971 1.357 -0.251 1.00 0.16 C HETATM 1325 O6 E2P A 91 -2.533 0.960 1.061 1.00 -0.46 O HETATM 1326 C7 E2P A 91 -1.886 1.894 -1.158 1.00 0.02 C HETATM 1327 C8 E2P A 91 -0.573 1.766 -0.933 1.00 -0.14 C HETATM 1328 C9 E2P A 91 0.461 2.261 -1.859 1.00 0.02 C HETATM 1329 C10 E2P A 91 0.167 3.204 -2.997 1.00 -0.01 C HETATM 1330 C11 E2P A 91 1.563 3.608 -3.546 1.00 -0.02 C HETATM 1331 C12 E2P A 91 2.458 2.623 -2.861 1.00 0.21 C HETATM 1332 O12 E2P A 91 3.623 2.426 -3.159 1.00 -0.34 O HETATM 1333 C13 E2P A 91 1.752 1.927 -1.790 1.00 -0.11 C HETATM 1334 C14 E2P A 91 2.367 1.002 -0.778 1.00 0.04 C HETATM 1335 C15 E2P A 91 2.263 1.663 0.576 1.00 -0.12 C HETATM 1336 C16 E2P A 91 2.602 1.110 1.745 1.00 -0.11 C HETATM 1337 C17 E2P A 91 3.095 -0.303 1.893 1.00 -0.01 C HETATM 1338 C18 E2P A 91 2.226 -0.983 2.986 1.00 -0.07 C HETATM 1339 C19 E2P A 91 2.479 -2.509 3.086 1.00 -0.01 C HETATM 1340 C20 E2P A 91 3.877 -2.834 3.541 1.00 0.35 C HETATM 1341 O21 E2P A 91 3.979 -3.874 4.355 1.00 -0.38 O HETATM 1342 O20 E2P A 91 4.872 -2.218 3.201 1.00 -0.35 O HETATM 0 H192 E2P A 91 1.763 -2.948 3.781 1.00 -0.01 H new HETATM 0 H191 E2P A 91 2.301 -2.968 2.113 1.00 -0.01 H new HETATM 0 H182 E2P A 91 2.434 -0.520 3.951 1.00 -0.07 H new HETATM 0 H181 E2P A 91 1.172 -0.807 2.769 1.00 -0.07 H new HETATM 0 H172 E2P A 91 3.013 -0.840 0.948 1.00 -0.01 H new HETATM 0 H171 E2P A 91 4.148 -0.315 2.176 1.00 -0.01 H new HETATM 0 H142 E2P A 91 1.851 0.042 -0.775 1.00 0.04 H new HETATM 0 H141 E2P A 91 3.409 0.803 -1.027 1.00 0.04 H new HETATM 0 H102 E2P A 91 -0.436 2.721 -3.766 1.00 -0.01 H new HETATM 0 H101 E2P A 91 -0.391 4.075 -2.655 1.00 -0.01 H new HETATM 0 HO6 E2P A 91 -2.951 1.537 1.734 1.00 -0.46 H new HETATM 0 H8 E2P A 91 -0.252 1.270 -0.017 1.00 -0.14 H new HETATM 0 H79 E2P A 91 1.616 3.523 -4.631 1.00 -0.02 H new HETATM 0 H78 E2P A 91 1.819 4.637 -3.294 1.00 -0.02 H new HETATM 0 H7 E2P A 91 -2.196 2.423 -2.059 1.00 0.02 H new HETATM 0 H6 E2P A 91 -3.654 2.184 -0.056 1.00 0.16 H new HETATM 0 H52 E2P A 91 -4.270 0.602 -1.818 1.00 -0.06 H new HETATM 0 H51 E2P A 91 -4.420 -0.259 -0.299 1.00 -0.06 H new HETATM 0 H42 E2P A 91 -1.725 -0.689 -1.146 1.00 -0.07 H new HETATM 0 H41 E2P A 91 -2.695 -0.852 -2.596 1.00 -0.07 H new HETATM 0 H32 E2P A 91 -2.599 -3.056 -1.730 1.00 -0.07 H new HETATM 0 H31 E2P A 91 -4.187 -2.488 -1.253 1.00 -0.07 H new HETATM 0 H22 E2P A 91 -1.852 -2.196 0.670 1.00 -0.07 H new HETATM 0 H21 E2P A 91 -2.631 -3.756 0.492 1.00 -0.07 H new HETATM 0 H16 E2P A 91 2.516 1.720 2.644 1.00 -0.11 H new HETATM 0 H15 E2P A 91 1.877 2.682 0.602 1.00 -0.12 H new HETATM 0 H13 E2P A 91 -3.559 -2.530 2.433 1.00 -0.12 H new HETATM 0 H12 E2P A 91 -4.026 -1.176 1.376 1.00 -0.12 H new HETATM 0 H11 E2P A 91 -4.816 -2.760 1.195 1.00 -0.12 H new