USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 111:sc= 0.87 USER MOD Set 1.2: A 72 TYR OH : rot 110:sc= -0.759 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= -0.262 USER MOD Set 2.2: A 55 ASN : amide:sc= -0.0421 X(o=-0.3,f=-0.26) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -144:sc= -0.282 (180deg=-1.43!) USER MOD Set 3.2: A 59 ASN : amide:sc= -1.38 K(o=-1.7,f=-5.6!) USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0.319 USER MOD Set 4.2: A 62 THR OG1 : rot -94:sc= 0.996 USER MOD Set 5.1: A 14 THR OG1 : rot 79:sc= 1.13 USER MOD Set 5.2: A 17 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 0 SER N :NH3+ -133:sc= -1.63 (180deg=-3.93!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.0063) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 126:sc= 0.435 USER MOD Single : A 32 LYS NZ :NH3+ 146:sc= -0.0249 (180deg=-0.417) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.286! C(o=0.29!,f=-1.5!) USER MOD Single : A 50 LYS NZ :NH3+ -117:sc= 0.0358 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -7.31! C(o=-8.5!,f=-7.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00846 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -14.5! C(o=-15!,f=-21!) USER MOD Single : A 86 SER OG : rot -83:sc= 0.705 USER MOD Single : A 89 SER OG : rot 76:sc= 0.139 USER MOD Single : A 92 SER OG : rot -109:sc= 0.764 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -116:sc= -0.781 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -23.023 -3.486 -4.047 1.00 2.05 N ATOM 2 CA SER A 0 -22.664 -4.867 -4.470 1.00 1.55 C ATOM 3 C SER A 0 -21.362 -4.883 -5.274 1.00 1.39 C ATOM 4 O SER A 0 -20.445 -5.643 -4.961 1.00 1.50 O ATOM 5 CB SER A 0 -23.825 -5.457 -5.288 1.00 2.08 C ATOM 6 OG SER A 0 -23.357 -6.211 -6.395 1.00 2.74 O ATOM 0 H1 SER A 0 -23.281 -3.488 -3.040 1.00 2.05 H new ATOM 0 H2 SER A 0 -22.210 -2.855 -4.195 1.00 2.05 H new ATOM 0 H3 SER A 0 -23.829 -3.149 -4.611 1.00 2.05 H new ATOM 0 HA SER A 0 -22.497 -5.479 -3.584 1.00 1.55 H new ATOM 0 HB2 SER A 0 -24.436 -6.093 -4.647 1.00 2.08 H new ATOM 0 HB3 SER A 0 -24.467 -4.651 -5.642 1.00 2.08 H new ATOM 0 HG SER A 0 -24.121 -6.572 -6.891 1.00 2.74 H new ATOM 12 N PRO A 1 -21.258 -4.042 -6.318 1.00 1.23 N ATOM 13 CA PRO A 1 -20.066 -3.963 -7.156 1.00 1.19 C ATOM 14 C PRO A 1 -18.994 -3.072 -6.533 1.00 1.24 C ATOM 15 O PRO A 1 -18.498 -2.139 -7.165 1.00 2.06 O ATOM 16 CB PRO A 1 -20.578 -3.349 -8.470 1.00 1.18 C ATOM 17 CG PRO A 1 -22.028 -3.026 -8.252 1.00 1.26 C ATOM 18 CD PRO A 1 -22.281 -3.099 -6.771 1.00 1.24 C ATOM 0 HA PRO A 1 -19.596 -4.937 -7.290 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.014 -2.451 -8.724 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.456 -4.047 -9.298 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -22.263 -2.033 -8.634 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.664 -3.732 -8.786 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.174 -2.125 -6.293 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.287 -3.455 -6.549 1.00 1.24 H new ATOM 26 N ILE A 2 -18.652 -3.367 -5.285 1.00 0.68 N ATOM 27 CA ILE A 2 -17.648 -2.601 -4.557 1.00 0.61 C ATOM 28 C ILE A 2 -16.373 -2.417 -5.373 1.00 0.57 C ATOM 29 O ILE A 2 -15.881 -3.357 -5.999 1.00 0.63 O ATOM 30 CB ILE A 2 -17.292 -3.283 -3.226 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.336 -2.395 -2.416 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.680 -4.654 -3.486 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.639 -3.110 -1.274 1.00 0.56 C ATOM 0 H ILE A 2 -19.058 -4.137 -4.753 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.085 -1.622 -4.362 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.202 -3.423 -2.642 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.581 -1.986 -3.088 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.896 -1.551 -2.013 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.432 -5.128 -2.536 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.395 -5.275 -4.025 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.775 -4.541 -4.083 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.983 -2.412 -0.754 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.384 -3.495 -0.578 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.049 -3.937 -1.669 1.00 0.56 H new ATOM 45 N ASP A 3 -15.838 -1.198 -5.355 1.00 0.55 N ATOM 46 CA ASP A 3 -14.613 -0.887 -6.084 1.00 0.54 C ATOM 47 C ASP A 3 -13.510 -0.468 -5.117 1.00 0.47 C ATOM 48 O ASP A 3 -13.754 0.293 -4.180 1.00 0.49 O ATOM 49 CB ASP A 3 -14.860 0.226 -7.104 1.00 0.61 C ATOM 50 CG ASP A 3 -15.413 -0.304 -8.412 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.530 -0.863 -8.401 1.00 2.00 O ATOM 52 OD2 ASP A 3 -14.729 -0.164 -9.447 1.00 1.64 O ATOM 0 H ASP A 3 -16.235 -0.410 -4.843 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.297 -1.785 -6.615 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.557 0.952 -6.685 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.926 0.755 -7.295 1.00 0.61 H new ATOM 57 N PRO A 4 -12.280 -0.961 -5.325 1.00 0.44 N ATOM 58 CA PRO A 4 -11.149 -0.634 -4.462 1.00 0.41 C ATOM 59 C PRO A 4 -10.496 0.696 -4.836 1.00 0.38 C ATOM 60 O PRO A 4 -10.671 1.192 -5.949 1.00 0.43 O ATOM 61 CB PRO A 4 -10.197 -1.800 -4.704 1.00 0.45 C ATOM 62 CG PRO A 4 -10.445 -2.199 -6.121 1.00 0.50 C ATOM 63 CD PRO A 4 -11.892 -1.878 -6.415 1.00 0.50 C ATOM 0 HA PRO A 4 -11.439 -0.510 -3.419 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.159 -1.503 -4.551 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.397 -2.624 -4.019 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.783 -1.658 -6.797 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.247 -3.261 -6.264 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.007 -1.409 -7.392 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.508 -2.777 -6.419 1.00 0.50 H new ATOM 71 N PRO A 5 -9.739 1.295 -3.900 1.00 0.37 N ATOM 72 CA PRO A 5 -9.063 2.580 -4.125 1.00 0.39 C ATOM 73 C PRO A 5 -8.138 2.562 -5.338 1.00 0.38 C ATOM 74 O PRO A 5 -7.901 1.516 -5.940 1.00 0.47 O ATOM 75 CB PRO A 5 -8.260 2.795 -2.837 1.00 0.46 C ATOM 76 CG PRO A 5 -8.952 1.966 -1.812 1.00 0.71 C ATOM 77 CD PRO A 5 -9.487 0.771 -2.545 1.00 0.43 C ATOM 0 HA PRO A 5 -9.777 3.376 -4.336 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.223 2.485 -2.962 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.246 3.847 -2.551 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.263 1.664 -1.023 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.757 2.525 -1.336 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.769 -0.049 -2.557 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.398 0.390 -2.084 1.00 0.43 H new ATOM 85 N GLY A 6 -7.620 3.738 -5.689 1.00 0.37 N ATOM 86 CA GLY A 6 -6.727 3.857 -6.829 1.00 0.39 C ATOM 87 C GLY A 6 -5.411 3.130 -6.624 1.00 0.42 C ATOM 88 O GLY A 6 -5.141 2.613 -5.541 1.00 0.66 O ATOM 0 H GLY A 6 -7.805 4.614 -5.201 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.222 3.460 -7.715 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.528 4.911 -7.020 1.00 0.39 H new ATOM 92 N LYS A 7 -4.588 3.092 -7.670 1.00 0.41 N ATOM 93 CA LYS A 7 -3.292 2.425 -7.599 1.00 0.44 C ATOM 94 C LYS A 7 -2.360 3.163 -6.634 1.00 0.37 C ATOM 95 O LYS A 7 -2.320 4.392 -6.629 1.00 0.42 O ATOM 96 CB LYS A 7 -2.658 2.352 -8.990 1.00 0.54 C ATOM 97 CG LYS A 7 -1.270 1.732 -9.000 1.00 0.64 C ATOM 98 CD LYS A 7 -0.256 2.649 -9.664 1.00 1.01 C ATOM 99 CE LYS A 7 1.153 2.371 -9.168 1.00 0.95 C ATOM 100 NZ LYS A 7 1.958 1.620 -10.172 1.00 1.52 N ATOM 0 H LYS A 7 -4.796 3.515 -8.575 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.445 1.412 -7.227 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.309 1.774 -9.646 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.599 3.358 -9.406 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.957 1.521 -7.977 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.300 0.778 -9.527 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.296 2.515 -10.745 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.516 3.688 -9.462 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.649 3.314 -8.937 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.105 1.800 -8.241 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.912 1.450 -9.795 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.499 0.709 -10.374 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 2.026 2.176 -11.049 1.00 1.52 H new ATOM 114 N PRO A 8 -1.598 2.431 -5.795 1.00 0.34 N ATOM 115 CA PRO A 8 -0.677 3.036 -4.823 1.00 0.32 C ATOM 116 C PRO A 8 0.621 3.521 -5.470 1.00 0.33 C ATOM 117 O PRO A 8 1.178 2.852 -6.340 1.00 0.44 O ATOM 118 CB PRO A 8 -0.399 1.883 -3.835 1.00 0.39 C ATOM 119 CG PRO A 8 -1.353 0.797 -4.224 1.00 0.44 C ATOM 120 CD PRO A 8 -1.557 0.967 -5.694 1.00 0.41 C ATOM 0 HA PRO A 8 -1.101 3.924 -4.354 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.634 1.544 -3.906 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.561 2.199 -2.805 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.945 -0.187 -3.994 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.295 0.887 -3.682 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.744 0.535 -6.277 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.480 0.502 -6.040 1.00 0.41 H new ATOM 128 N VAL A 9 1.096 4.692 -5.039 1.00 0.34 N ATOM 129 CA VAL A 9 2.328 5.268 -5.578 1.00 0.38 C ATOM 130 C VAL A 9 3.104 6.042 -4.502 1.00 0.34 C ATOM 131 O VAL A 9 2.550 6.924 -3.846 1.00 0.35 O ATOM 132 CB VAL A 9 2.034 6.213 -6.760 1.00 0.43 C ATOM 133 CG1 VAL A 9 1.264 7.439 -6.294 1.00 1.09 C ATOM 134 CG2 VAL A 9 3.326 6.616 -7.455 1.00 0.53 C ATOM 0 H VAL A 9 0.646 5.258 -4.320 1.00 0.34 H new ATOM 0 HA VAL A 9 2.937 4.434 -5.927 1.00 0.38 H new ATOM 0 HB VAL A 9 1.412 5.679 -7.478 1.00 0.43 H new ATOM 0 HG11 VAL A 9 1.068 8.091 -7.145 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.318 7.128 -5.850 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.853 7.978 -5.552 1.00 1.09 H new ATOM 0 HG21 VAL A 9 3.099 7.283 -8.287 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.976 7.128 -6.746 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.830 5.726 -7.831 1.00 0.53 H new ATOM 144 N PRO A 10 4.399 5.719 -4.301 1.00 0.34 N ATOM 145 CA PRO A 10 5.238 6.385 -3.294 1.00 0.32 C ATOM 146 C PRO A 10 5.518 7.855 -3.601 1.00 0.37 C ATOM 147 O PRO A 10 5.758 8.230 -4.749 1.00 0.64 O ATOM 148 CB PRO A 10 6.555 5.614 -3.327 1.00 0.38 C ATOM 149 CG PRO A 10 6.274 4.364 -4.084 1.00 0.39 C ATOM 150 CD PRO A 10 5.145 4.680 -5.022 1.00 0.42 C ATOM 0 HA PRO A 10 4.732 6.381 -2.328 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.338 6.197 -3.812 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.903 5.391 -2.318 1.00 0.38 H new ATOM 0 HG2 PRO A 10 7.156 4.037 -4.635 1.00 0.39 H new ATOM 0 HG3 PRO A 10 6.002 3.554 -3.408 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.508 5.039 -5.985 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.528 3.804 -5.220 1.00 0.42 H new ATOM 158 N LEU A 11 5.515 8.671 -2.553 1.00 0.34 N ATOM 159 CA LEU A 11 5.799 10.098 -2.671 1.00 0.43 C ATOM 160 C LEU A 11 7.179 10.369 -2.088 1.00 0.43 C ATOM 161 O LEU A 11 7.940 11.198 -2.588 1.00 0.57 O ATOM 162 CB LEU A 11 4.746 10.927 -1.932 1.00 0.56 C ATOM 163 CG LEU A 11 3.300 10.642 -2.334 1.00 0.92 C ATOM 164 CD1 LEU A 11 3.172 10.579 -3.849 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.819 9.348 -1.697 1.00 1.12 C ATOM 0 H LEU A 11 5.317 8.364 -1.601 1.00 0.34 H new ATOM 0 HA LEU A 11 5.773 10.384 -3.722 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.851 10.749 -0.862 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.953 11.984 -2.102 1.00 0.56 H new ATOM 0 HG LEU A 11 2.671 11.455 -1.973 1.00 0.92 H new ATOM 0 HD11 LEU A 11 2.136 10.375 -4.118 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.478 11.532 -4.280 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.810 9.784 -4.235 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.787 9.158 -1.993 1.00 1.12 H new ATOM 0 HD22 LEU A 11 3.449 8.523 -2.029 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.875 9.434 -0.612 1.00 1.12 H new ATOM 177 N ASN A 12 7.486 9.631 -1.026 1.00 0.34 N ATOM 178 CA ASN A 12 8.765 9.725 -0.336 1.00 0.36 C ATOM 179 C ASN A 12 9.213 8.319 0.033 1.00 0.37 C ATOM 180 O ASN A 12 8.377 7.447 0.233 1.00 0.58 O ATOM 181 CB ASN A 12 8.636 10.584 0.924 1.00 0.42 C ATOM 182 CG ASN A 12 9.981 10.939 1.524 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.513 12.025 1.288 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.542 10.023 2.305 1.00 0.71 N ATOM 0 H ASN A 12 6.849 8.947 -0.618 1.00 0.34 H new ATOM 0 HA ASN A 12 9.501 10.196 -0.988 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.097 11.500 0.682 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.041 10.050 1.665 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.448 10.206 2.736 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.067 9.137 2.474 1.00 0.71 H new ATOM 191 N ILE A 13 10.514 8.084 0.110 1.00 0.38 N ATOM 192 CA ILE A 13 11.001 6.752 0.444 1.00 0.43 C ATOM 193 C ILE A 13 12.256 6.801 1.309 1.00 0.53 C ATOM 194 O ILE A 13 13.358 7.043 0.814 1.00 0.75 O ATOM 195 CB ILE A 13 11.270 5.929 -0.829 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.938 6.807 -1.895 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.961 5.334 -1.341 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.948 6.199 -3.280 1.00 0.96 C ATOM 0 H ILE A 13 11.240 8.782 -0.050 1.00 0.38 H new ATOM 0 HA ILE A 13 10.216 6.265 1.022 1.00 0.43 H new ATOM 0 HB ILE A 13 11.951 5.111 -0.597 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.422 7.766 -1.935 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.965 7.010 -1.592 1.00 0.49 H new ATOM 0 HG21 ILE A 13 10.154 4.752 -2.242 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.532 4.687 -0.576 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.261 6.138 -1.571 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.438 6.882 -3.974 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.490 5.254 -3.258 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.923 6.022 -3.607 1.00 0.96 H new ATOM 210 N THR A 14 12.076 6.570 2.608 1.00 0.59 N ATOM 211 CA THR A 14 13.184 6.584 3.558 1.00 0.71 C ATOM 212 C THR A 14 13.738 5.184 3.764 1.00 0.79 C ATOM 213 O THR A 14 13.797 4.696 4.886 1.00 1.46 O ATOM 214 CB THR A 14 12.738 7.185 4.894 1.00 0.75 C ATOM 215 OG1 THR A 14 11.338 7.401 4.906 1.00 0.69 O ATOM 216 CG2 THR A 14 13.408 8.506 5.209 1.00 0.94 C ATOM 0 H THR A 14 11.168 6.370 3.027 1.00 0.59 H new ATOM 0 HA THR A 14 13.977 7.207 3.145 1.00 0.71 H new ATOM 0 HB THR A 14 13.031 6.456 5.650 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.878 6.553 5.078 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.048 8.877 6.169 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.488 8.364 5.257 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.171 9.229 4.428 1.00 0.94 H new ATOM 224 N ARG A 15 14.152 4.565 2.659 1.00 0.66 N ATOM 225 CA ARG A 15 14.728 3.217 2.657 1.00 0.67 C ATOM 226 C ARG A 15 13.900 2.214 3.467 1.00 0.71 C ATOM 227 O ARG A 15 13.214 1.364 2.902 1.00 1.19 O ATOM 228 CB ARG A 15 16.186 3.209 3.167 1.00 0.80 C ATOM 229 CG ARG A 15 16.731 4.544 3.672 1.00 0.96 C ATOM 230 CD ARG A 15 16.812 4.573 5.191 1.00 1.13 C ATOM 231 NE ARG A 15 17.803 5.531 5.670 1.00 1.43 N ATOM 232 CZ ARG A 15 18.294 5.528 6.905 1.00 1.67 C ATOM 233 NH1 ARG A 15 17.881 4.619 7.779 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.195 6.430 7.266 1.00 1.90 N ATOM 0 H ARG A 15 14.097 4.987 1.732 1.00 0.66 H new ATOM 0 HA ARG A 15 14.715 2.902 1.614 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.263 2.480 3.974 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.830 2.860 2.360 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.721 4.717 3.250 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.090 5.355 3.325 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.835 4.828 5.601 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.063 3.578 5.559 1.00 1.13 H new ATOM 0 HE ARG A 15 18.138 6.243 5.021 1.00 1.43 H new ATOM 0 HH11 ARG A 15 17.188 3.924 7.503 1.00 2.42 H new ATOM 0 HH12 ARG A 15 18.257 4.615 8.727 1.00 2.42 H new ATOM 0 HH21 ARG A 15 19.514 7.129 6.595 1.00 1.90 H new ATOM 0 HH22 ARG A 15 19.570 6.425 8.215 1.00 1.90 H new ATOM 248 N HIS A 16 13.975 2.309 4.786 1.00 0.50 N ATOM 249 CA HIS A 16 13.244 1.399 5.665 1.00 0.54 C ATOM 250 C HIS A 16 11.751 1.711 5.696 1.00 0.57 C ATOM 251 O HIS A 16 10.922 0.803 5.747 1.00 0.97 O ATOM 252 CB HIS A 16 13.818 1.452 7.083 1.00 0.67 C ATOM 253 CG HIS A 16 14.633 0.247 7.439 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.140 -0.842 8.123 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.939 -0.029 7.189 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.137 -1.725 8.264 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.250 -1.281 7.714 1.00 0.86 N ATOM 0 H HIS A 16 14.535 3.007 5.275 1.00 0.50 H new ATOM 0 HA HIS A 16 13.365 0.393 5.262 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.437 2.343 7.183 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.999 1.551 7.795 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.627 0.619 6.666 1.00 0.78 H new ATOM 0 HE1 HIS A 16 15.042 -2.678 8.764 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.152 -1.756 7.680 1.00 0.86 H new ATOM 265 N THR A 17 11.407 2.992 5.666 1.00 0.43 N ATOM 266 CA THR A 17 10.005 3.396 5.693 1.00 0.42 C ATOM 267 C THR A 17 9.657 4.243 4.476 1.00 0.38 C ATOM 268 O THR A 17 10.104 5.383 4.355 1.00 0.56 O ATOM 269 CB THR A 17 9.697 4.172 6.973 1.00 0.56 C ATOM 270 OG1 THR A 17 10.513 5.326 7.072 1.00 0.65 O ATOM 271 CG2 THR A 17 9.904 3.355 8.230 1.00 0.68 C ATOM 0 H THR A 17 12.072 3.764 5.623 1.00 0.43 H new ATOM 0 HA THR A 17 9.396 2.492 5.670 1.00 0.42 H new ATOM 0 HB THR A 17 8.643 4.441 6.901 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.298 5.809 7.897 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.668 3.964 9.103 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.251 2.483 8.209 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.943 3.029 8.285 1.00 0.68 H new ATOM 279 N VAL A 18 8.856 3.682 3.574 1.00 0.27 N ATOM 280 CA VAL A 18 8.458 4.402 2.376 1.00 0.33 C ATOM 281 C VAL A 18 7.061 5.005 2.529 1.00 0.32 C ATOM 282 O VAL A 18 6.236 4.499 3.282 1.00 0.51 O ATOM 283 CB VAL A 18 8.530 3.518 1.106 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.849 2.760 1.028 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.343 2.586 0.969 1.00 0.80 C ATOM 0 H VAL A 18 8.475 2.739 3.652 1.00 0.27 H new ATOM 0 HA VAL A 18 9.175 5.214 2.250 1.00 0.33 H new ATOM 0 HB VAL A 18 8.485 4.198 0.255 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.865 2.150 0.125 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.676 3.470 1.001 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.951 2.117 1.902 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.449 1.992 0.061 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.299 1.923 1.833 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.425 3.171 0.914 1.00 0.80 H new ATOM 295 N THR A 19 6.808 6.094 1.814 1.00 0.27 N ATOM 296 CA THR A 19 5.520 6.777 1.874 1.00 0.24 C ATOM 297 C THR A 19 4.826 6.776 0.511 1.00 0.22 C ATOM 298 O THR A 19 5.390 7.255 -0.473 1.00 0.34 O ATOM 299 CB THR A 19 5.729 8.222 2.349 1.00 0.28 C ATOM 300 OG1 THR A 19 6.042 8.257 3.731 1.00 0.35 O ATOM 301 CG2 THR A 19 4.528 9.117 2.129 1.00 0.32 C ATOM 0 H THR A 19 7.482 6.526 1.182 1.00 0.27 H new ATOM 0 HA THR A 19 4.881 6.243 2.578 1.00 0.24 H new ATOM 0 HB THR A 19 6.553 8.600 1.744 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.173 9.186 4.013 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.752 10.121 2.489 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.294 9.157 1.065 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.672 8.718 2.674 1.00 0.32 H new ATOM 309 N LEU A 20 3.596 6.253 0.467 1.00 0.28 N ATOM 310 CA LEU A 20 2.825 6.210 -0.772 1.00 0.26 C ATOM 311 C LEU A 20 1.375 6.615 -0.537 1.00 0.28 C ATOM 312 O LEU A 20 0.882 6.613 0.594 1.00 0.40 O ATOM 313 CB LEU A 20 2.861 4.816 -1.408 1.00 0.33 C ATOM 314 CG LEU A 20 3.081 3.655 -0.441 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.504 3.673 0.075 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.089 3.709 0.709 1.00 0.52 C ATOM 0 H LEU A 20 3.117 5.855 1.275 1.00 0.28 H new ATOM 0 HA LEU A 20 3.289 6.923 -1.454 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.921 4.653 -1.936 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.654 4.798 -2.156 1.00 0.33 H new ATOM 0 HG LEU A 20 2.915 2.721 -0.978 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.652 2.841 0.764 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.196 3.578 -0.762 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.691 4.613 0.595 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.267 2.871 1.383 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.213 4.645 1.253 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.074 3.649 0.317 1.00 0.52 H new ATOM 328 N LYS A 21 0.698 6.950 -1.628 1.00 0.25 N ATOM 329 CA LYS A 21 -0.703 7.349 -1.579 1.00 0.31 C ATOM 330 C LYS A 21 -1.398 6.994 -2.896 1.00 0.31 C ATOM 331 O LYS A 21 -0.746 6.810 -3.924 1.00 0.51 O ATOM 332 CB LYS A 21 -0.834 8.851 -1.235 1.00 0.40 C ATOM 333 CG LYS A 21 -1.142 9.767 -2.415 1.00 0.81 C ATOM 334 CD LYS A 21 -2.599 9.659 -2.829 1.00 0.95 C ATOM 335 CE LYS A 21 -3.285 11.016 -2.828 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.011 11.777 -1.577 1.00 1.84 N ATOM 0 H LYS A 21 1.101 6.953 -2.565 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.204 6.797 -0.783 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.621 8.969 -0.490 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.095 9.183 -0.772 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.913 10.798 -2.147 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -0.502 9.507 -3.258 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.663 9.219 -3.824 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.122 8.986 -2.149 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -2.945 11.595 -3.687 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.360 10.879 -2.941 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.857 12.319 -1.308 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.767 11.114 -0.814 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.217 12.430 -1.735 1.00 1.84 H new ATOM 350 N TRP A 22 -2.719 6.883 -2.850 1.00 0.25 N ATOM 351 CA TRP A 22 -3.497 6.530 -4.029 1.00 0.24 C ATOM 352 C TRP A 22 -4.761 7.382 -4.136 1.00 0.24 C ATOM 353 O TRP A 22 -4.905 8.382 -3.434 1.00 0.40 O ATOM 354 CB TRP A 22 -3.857 5.050 -3.952 1.00 0.27 C ATOM 355 CG TRP A 22 -4.424 4.671 -2.625 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.729 4.418 -2.343 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.707 4.515 -1.396 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.873 4.108 -1.013 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.643 4.161 -0.411 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.362 4.636 -1.033 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.281 3.929 0.912 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.002 4.406 0.280 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.959 4.056 1.240 1.00 0.32 C ATOM 0 H TRP A 22 -3.274 7.033 -2.008 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.900 6.722 -4.921 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.579 4.813 -4.734 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.967 4.452 -4.148 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.535 4.455 -3.060 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.751 3.876 -0.549 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.617 4.905 -1.767 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.018 3.658 1.654 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.966 4.498 0.571 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.647 3.883 2.259 1.00 0.32 H new ATOM 374 N ALA A 23 -5.673 6.986 -5.025 1.00 0.31 N ATOM 375 CA ALA A 23 -6.914 7.720 -5.228 1.00 0.33 C ATOM 376 C ALA A 23 -8.074 7.133 -4.427 1.00 0.36 C ATOM 377 O ALA A 23 -7.882 6.316 -3.527 1.00 0.83 O ATOM 378 CB ALA A 23 -7.267 7.749 -6.707 1.00 0.36 C ATOM 0 H ALA A 23 -5.572 6.160 -5.614 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.751 8.736 -4.868 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.197 8.300 -6.848 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.467 8.238 -7.262 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.391 6.729 -7.072 1.00 0.36 H new ATOM 384 N LYS A 24 -9.279 7.572 -4.774 1.00 0.59 N ATOM 385 CA LYS A 24 -10.499 7.121 -4.114 1.00 0.61 C ATOM 386 C LYS A 24 -11.370 6.337 -5.093 1.00 0.59 C ATOM 387 O LYS A 24 -11.462 6.695 -6.268 1.00 0.69 O ATOM 388 CB LYS A 24 -11.266 8.338 -3.582 1.00 0.74 C ATOM 389 CG LYS A 24 -12.258 8.023 -2.476 1.00 1.21 C ATOM 390 CD LYS A 24 -13.558 7.473 -3.041 1.00 1.22 C ATOM 391 CE LYS A 24 -14.764 8.262 -2.555 1.00 1.55 C ATOM 392 NZ LYS A 24 -16.035 7.746 -3.136 1.00 2.11 N ATOM 0 H LYS A 24 -9.438 8.250 -5.520 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.239 6.465 -3.283 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.549 9.070 -3.212 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.800 8.805 -4.409 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.822 7.298 -1.789 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.462 8.925 -1.900 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.521 7.500 -4.130 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.667 6.428 -2.751 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.816 8.213 -1.467 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.643 9.312 -2.822 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.833 8.310 -2.781 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.996 7.816 -4.173 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.164 6.751 -2.861 1.00 2.11 H new ATOM 406 N PRO A 25 -12.025 5.255 -4.634 1.00 0.56 N ATOM 407 CA PRO A 25 -12.883 4.437 -5.495 1.00 0.63 C ATOM 408 C PRO A 25 -13.965 5.263 -6.181 1.00 0.75 C ATOM 409 O PRO A 25 -14.137 6.445 -5.892 1.00 0.89 O ATOM 410 CB PRO A 25 -13.512 3.418 -4.537 1.00 0.63 C ATOM 411 CG PRO A 25 -13.268 3.955 -3.167 1.00 0.71 C ATOM 412 CD PRO A 25 -11.990 4.740 -3.255 1.00 0.58 C ATOM 0 HA PRO A 25 -12.316 3.975 -6.303 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.579 3.305 -4.730 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.060 2.434 -4.659 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -14.094 4.588 -2.843 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.181 3.147 -2.440 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.958 5.546 -2.522 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.116 4.113 -3.078 1.00 0.58 H new ATOM 420 N GLU A 26 -14.692 4.633 -7.095 1.00 0.85 N ATOM 421 CA GLU A 26 -15.753 5.307 -7.825 1.00 1.05 C ATOM 422 C GLU A 26 -17.093 4.613 -7.611 1.00 0.95 C ATOM 423 O GLU A 26 -18.126 5.268 -7.480 1.00 1.12 O ATOM 424 CB GLU A 26 -15.419 5.347 -9.314 1.00 1.29 C ATOM 425 CG GLU A 26 -14.768 4.073 -9.826 1.00 1.83 C ATOM 426 CD GLU A 26 -14.856 3.940 -11.334 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.875 3.410 -11.823 1.00 2.53 O ATOM 428 OE2 GLU A 26 -13.906 4.367 -12.024 1.00 2.77 O ATOM 0 H GLU A 26 -14.564 3.653 -7.348 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.832 6.326 -7.445 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.334 5.530 -9.878 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -14.753 6.188 -9.506 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.721 4.057 -9.524 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -15.247 3.212 -9.360 1.00 1.83 H new ATOM 435 N TYR A 27 -17.070 3.286 -7.578 1.00 0.85 N ATOM 436 CA TYR A 27 -18.290 2.514 -7.382 1.00 0.84 C ATOM 437 C TYR A 27 -18.206 1.645 -6.132 1.00 0.86 C ATOM 438 O TYR A 27 -18.098 0.422 -6.224 1.00 1.37 O ATOM 439 CB TYR A 27 -18.565 1.630 -8.597 1.00 0.86 C ATOM 440 CG TYR A 27 -20.031 1.344 -8.812 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.758 0.616 -7.879 1.00 0.93 C ATOM 442 CD2 TYR A 27 -20.689 1.802 -9.945 1.00 1.15 C ATOM 443 CE1 TYR A 27 -22.100 0.351 -8.069 1.00 1.04 C ATOM 444 CE2 TYR A 27 -22.031 1.542 -10.144 1.00 1.28 C ATOM 445 CZ TYR A 27 -22.733 0.816 -9.204 1.00 1.19 C ATOM 446 OH TYR A 27 -24.069 0.556 -9.400 1.00 1.35 O ATOM 0 H TYR A 27 -16.225 2.725 -7.684 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.107 3.224 -7.256 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.163 2.114 -9.487 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.032 0.687 -8.478 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.266 0.251 -6.990 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -20.143 2.371 -10.683 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -22.651 -0.217 -7.334 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -22.528 1.905 -11.031 1.00 1.28 H new ATOM 0 HH TYR A 27 -24.359 0.955 -10.247 1.00 1.35 H new ATOM 456 N THR A 28 -18.266 2.277 -4.966 1.00 0.65 N ATOM 457 CA THR A 28 -18.207 1.549 -3.703 1.00 0.61 C ATOM 458 C THR A 28 -19.609 1.179 -3.233 1.00 0.66 C ATOM 459 O THR A 28 -19.935 1.334 -2.058 1.00 0.81 O ATOM 460 CB THR A 28 -17.512 2.388 -2.628 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.196 3.611 -2.427 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.073 2.717 -2.956 1.00 0.79 C ATOM 0 H THR A 28 -18.355 3.288 -4.868 1.00 0.65 H new ATOM 0 HA THR A 28 -17.633 0.637 -3.867 1.00 0.61 H new ATOM 0 HB THR A 28 -17.529 1.771 -1.729 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.415 3.711 -1.477 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.643 3.313 -2.151 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.505 1.793 -3.067 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.032 3.282 -3.887 1.00 0.79 H new ATOM 470 N GLY A 29 -20.436 0.694 -4.158 1.00 0.75 N ATOM 471 CA GLY A 29 -21.796 0.314 -3.812 1.00 0.80 C ATOM 472 C GLY A 29 -22.494 1.362 -2.958 1.00 0.85 C ATOM 473 O GLY A 29 -23.078 2.312 -3.478 1.00 1.01 O ATOM 0 H GLY A 29 -20.189 0.558 -5.138 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.369 0.154 -4.725 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.780 -0.635 -3.276 1.00 0.80 H new ATOM 477 N GLY A 30 -22.416 1.188 -1.645 1.00 0.83 N ATOM 478 CA GLY A 30 -23.024 2.123 -0.719 1.00 0.89 C ATOM 479 C GLY A 30 -22.253 2.140 0.577 1.00 0.85 C ATOM 480 O GLY A 30 -22.819 2.002 1.660 1.00 0.98 O ATOM 0 H GLY A 30 -21.936 0.405 -1.201 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.040 3.122 -1.156 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.060 1.841 -0.532 1.00 0.89 H new ATOM 484 N PHE A 31 -20.939 2.277 0.446 1.00 0.73 N ATOM 485 CA PHE A 31 -20.040 2.275 1.591 1.00 0.69 C ATOM 486 C PHE A 31 -18.990 3.373 1.461 1.00 0.67 C ATOM 487 O PHE A 31 -18.944 4.084 0.457 1.00 0.74 O ATOM 488 CB PHE A 31 -19.342 0.908 1.707 1.00 0.63 C ATOM 489 CG PHE A 31 -19.890 -0.147 0.777 1.00 0.67 C ATOM 490 CD1 PHE A 31 -21.124 -0.735 1.015 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.160 -0.551 -0.326 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.618 -1.704 0.164 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.648 -1.523 -1.180 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.919 -2.080 -0.933 1.00 0.83 C ATOM 0 H PHE A 31 -20.470 2.392 -0.452 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.631 2.463 2.488 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.279 1.037 1.505 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.431 0.553 2.734 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.704 -0.432 1.874 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.198 -0.102 -0.523 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.571 -2.166 0.375 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.062 -1.851 -2.026 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.334 -2.805 -1.617 1.00 0.83 H new ATOM 504 N LYS A 32 -18.142 3.503 2.476 1.00 0.68 N ATOM 505 CA LYS A 32 -17.091 4.515 2.458 1.00 0.72 C ATOM 506 C LYS A 32 -15.760 3.975 3.001 1.00 0.66 C ATOM 507 O LYS A 32 -14.803 4.733 3.158 1.00 0.74 O ATOM 508 CB LYS A 32 -17.531 5.756 3.248 1.00 0.86 C ATOM 509 CG LYS A 32 -17.360 5.633 4.756 1.00 1.38 C ATOM 510 CD LYS A 32 -16.205 6.484 5.258 1.00 1.38 C ATOM 511 CE LYS A 32 -16.322 6.760 6.749 1.00 1.50 C ATOM 512 NZ LYS A 32 -16.673 5.531 7.513 1.00 2.26 N ATOM 0 H LYS A 32 -18.161 2.925 3.316 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.925 4.795 1.418 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.960 6.616 2.898 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.579 5.959 3.028 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.281 5.938 5.253 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.186 4.590 5.019 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.262 5.976 5.054 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.183 7.428 4.713 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.379 7.161 7.119 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -17.082 7.523 6.919 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -16.213 5.558 8.445 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -17.704 5.482 7.637 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.347 4.693 6.991 1.00 2.26 H new ATOM 526 N ILE A 33 -15.701 2.671 3.281 1.00 0.67 N ATOM 527 CA ILE A 33 -14.483 2.051 3.800 1.00 0.66 C ATOM 528 C ILE A 33 -14.049 2.707 5.114 1.00 0.80 C ATOM 529 O ILE A 33 -14.315 3.884 5.349 1.00 1.71 O ATOM 530 CB ILE A 33 -13.332 2.130 2.772 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.720 1.395 1.487 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.049 1.546 3.346 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.579 2.234 0.236 1.00 0.91 C ATOM 0 H ILE A 33 -16.482 2.026 3.157 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.710 1.002 3.988 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.154 3.180 2.539 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.099 0.504 1.388 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.753 1.056 1.571 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.254 1.613 2.603 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.762 2.105 4.237 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.211 0.501 3.610 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.872 1.644 -0.633 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.221 3.112 0.312 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.542 2.551 0.126 1.00 0.91 H new ATOM 545 N THR A 34 -13.385 1.936 5.975 1.00 0.72 N ATOM 546 CA THR A 34 -12.930 2.456 7.261 1.00 0.73 C ATOM 547 C THR A 34 -11.465 2.112 7.532 1.00 0.59 C ATOM 548 O THR A 34 -10.994 2.226 8.664 1.00 0.76 O ATOM 549 CB THR A 34 -13.812 1.910 8.387 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.412 0.601 8.748 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.281 1.860 8.022 1.00 1.15 C ATOM 0 H THR A 34 -13.152 0.957 5.806 1.00 0.72 H new ATOM 0 HA THR A 34 -13.011 3.542 7.224 1.00 0.73 H new ATOM 0 HB THR A 34 -13.684 2.603 9.219 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.987 0.271 9.470 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.851 1.464 8.862 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.632 2.865 7.787 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.418 1.215 7.154 1.00 1.15 H new ATOM 559 N SER A 35 -10.744 1.695 6.493 1.00 0.49 N ATOM 560 CA SER A 35 -9.333 1.344 6.636 1.00 0.47 C ATOM 561 C SER A 35 -8.746 0.882 5.309 1.00 0.45 C ATOM 562 O SER A 35 -9.252 -0.051 4.692 1.00 0.72 O ATOM 563 CB SER A 35 -9.158 0.243 7.677 1.00 0.64 C ATOM 564 OG SER A 35 -7.790 -0.088 7.843 1.00 1.58 O ATOM 0 H SER A 35 -11.112 1.592 5.547 1.00 0.49 H new ATOM 0 HA SER A 35 -8.803 2.238 6.963 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.575 0.569 8.630 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.715 -0.643 7.372 1.00 0.64 H new ATOM 0 HG SER A 35 -7.704 -0.795 8.517 1.00 1.58 H new ATOM 570 N TYR A 36 -7.674 1.537 4.882 1.00 0.27 N ATOM 571 CA TYR A 36 -7.018 1.187 3.628 1.00 0.28 C ATOM 572 C TYR A 36 -5.708 0.443 3.879 1.00 0.33 C ATOM 573 O TYR A 36 -4.645 1.057 3.955 1.00 0.68 O ATOM 574 CB TYR A 36 -6.732 2.441 2.799 1.00 0.29 C ATOM 575 CG TYR A 36 -7.962 3.219 2.387 1.00 0.33 C ATOM 576 CD1 TYR A 36 -9.148 2.572 2.066 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.930 4.605 2.312 1.00 0.57 C ATOM 578 CE1 TYR A 36 -10.270 3.286 1.685 1.00 0.64 C ATOM 579 CE2 TYR A 36 -9.048 5.325 1.933 1.00 0.67 C ATOM 580 CZ TYR A 36 -10.214 4.661 1.620 1.00 0.60 C ATOM 581 OH TYR A 36 -11.328 5.373 1.241 1.00 0.76 O ATOM 0 H TYR A 36 -7.241 2.312 5.384 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.696 0.534 3.078 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -6.078 3.098 3.372 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -6.185 2.150 1.902 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -9.195 1.494 2.115 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.017 5.129 2.554 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -11.185 2.768 1.440 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -9.007 6.403 1.883 1.00 0.67 H new ATOM 0 HH TYR A 36 -11.122 6.331 1.247 1.00 0.76 H new ATOM 591 N ILE A 37 -5.783 -0.878 3.997 1.00 0.24 N ATOM 592 CA ILE A 37 -4.586 -1.680 4.226 1.00 0.26 C ATOM 593 C ILE A 37 -3.705 -1.681 2.985 1.00 0.33 C ATOM 594 O ILE A 37 -4.197 -1.540 1.866 1.00 0.70 O ATOM 595 CB ILE A 37 -4.914 -3.143 4.594 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.214 -3.237 5.397 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.762 -3.753 5.379 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.276 -2.284 6.570 1.00 1.14 C ATOM 0 H ILE A 37 -6.650 -1.412 3.939 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.065 -1.223 5.068 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.053 -3.703 3.669 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -7.055 -3.037 4.734 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.332 -4.257 5.763 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.002 -4.785 5.634 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.856 -3.730 4.773 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.601 -3.181 6.293 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.226 -2.409 7.090 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -5.456 -2.497 7.256 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.191 -1.258 6.211 1.00 1.14 H new ATOM 610 N VAL A 38 -2.404 -1.843 3.181 1.00 0.36 N ATOM 611 CA VAL A 38 -1.471 -1.865 2.065 1.00 0.42 C ATOM 612 C VAL A 38 -0.394 -2.926 2.280 1.00 0.35 C ATOM 613 O VAL A 38 0.534 -2.744 3.068 1.00 0.48 O ATOM 614 CB VAL A 38 -0.846 -0.461 1.819 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.596 0.253 3.135 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.431 -0.529 0.981 1.00 0.51 C ATOM 0 H VAL A 38 -1.973 -1.961 4.098 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.028 -2.131 1.167 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.570 0.115 1.242 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.159 1.232 2.940 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.539 0.376 3.667 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.090 -0.336 3.744 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.827 0.477 0.839 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.172 -1.141 1.496 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.206 -0.971 0.010 1.00 0.51 H new ATOM 626 N GLU A 39 -0.538 -4.036 1.565 1.00 0.30 N ATOM 627 CA GLU A 39 0.406 -5.144 1.656 1.00 0.33 C ATOM 628 C GLU A 39 1.700 -4.789 0.931 1.00 0.32 C ATOM 629 O GLU A 39 1.727 -3.870 0.114 1.00 0.43 O ATOM 630 CB GLU A 39 -0.206 -6.420 1.060 1.00 0.42 C ATOM 631 CG GLU A 39 -1.724 -6.486 1.173 1.00 0.51 C ATOM 632 CD GLU A 39 -2.235 -7.888 1.436 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.834 -8.815 0.700 1.00 1.52 O ATOM 634 OE2 GLU A 39 -3.038 -8.059 2.377 1.00 1.67 O ATOM 0 H GLU A 39 -1.305 -4.193 0.911 1.00 0.30 H new ATOM 0 HA GLU A 39 0.630 -5.327 2.707 1.00 0.33 H new ATOM 0 HB2 GLU A 39 0.074 -6.489 0.009 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.224 -7.287 1.562 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.052 -5.828 1.978 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.169 -6.109 0.252 1.00 0.51 H new ATOM 641 N LYS A 40 2.773 -5.516 1.228 1.00 0.28 N ATOM 642 CA LYS A 40 4.057 -5.254 0.591 1.00 0.31 C ATOM 643 C LYS A 40 4.742 -6.546 0.171 1.00 0.29 C ATOM 644 O LYS A 40 4.516 -7.601 0.760 1.00 0.35 O ATOM 645 CB LYS A 40 4.979 -4.465 1.523 1.00 0.43 C ATOM 646 CG LYS A 40 4.801 -4.806 2.992 1.00 0.92 C ATOM 647 CD LYS A 40 6.128 -5.157 3.649 1.00 1.14 C ATOM 648 CE LYS A 40 5.997 -6.369 4.559 1.00 1.65 C ATOM 649 NZ LYS A 40 6.999 -6.349 5.659 1.00 1.97 N ATOM 0 H LYS A 40 2.779 -6.284 1.899 1.00 0.28 H new ATOM 0 HA LYS A 40 3.858 -4.660 -0.301 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.014 -4.652 1.239 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.798 -3.399 1.382 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.350 -3.960 3.511 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.112 -5.645 3.091 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.874 -5.357 2.880 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.486 -4.304 4.226 1.00 1.14 H new ATOM 0 HE2 LYS A 40 4.993 -6.398 4.983 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.121 -7.279 3.972 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.876 -7.192 6.256 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.958 -6.348 5.255 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.865 -5.494 6.235 1.00 1.97 H new ATOM 663 N ARG A 41 5.583 -6.447 -0.853 1.00 0.36 N ATOM 664 CA ARG A 41 6.311 -7.599 -1.366 1.00 0.40 C ATOM 665 C ARG A 41 7.773 -7.252 -1.604 1.00 0.41 C ATOM 666 O ARG A 41 8.092 -6.345 -2.372 1.00 0.43 O ATOM 667 CB ARG A 41 5.672 -8.095 -2.664 1.00 0.46 C ATOM 668 CG ARG A 41 6.462 -9.198 -3.348 1.00 0.58 C ATOM 669 CD ARG A 41 5.727 -9.738 -4.564 1.00 0.88 C ATOM 670 NE ARG A 41 4.936 -10.922 -4.242 1.00 0.95 N ATOM 671 CZ ARG A 41 4.150 -11.544 -5.116 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.051 -11.093 -6.359 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.462 -12.615 -4.747 1.00 1.44 N ATOM 0 H ARG A 41 5.777 -5.575 -1.345 1.00 0.36 H new ATOM 0 HA ARG A 41 6.262 -8.393 -0.620 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.667 -8.459 -2.449 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.566 -7.255 -3.351 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.436 -8.815 -3.651 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.644 -10.008 -2.642 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.074 -8.964 -4.967 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.448 -9.984 -5.344 1.00 0.88 H new ATOM 0 HE ARG A 41 4.989 -11.293 -3.293 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.578 -10.268 -6.646 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.448 -11.571 -7.028 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.535 -12.964 -3.791 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.860 -13.091 -5.419 1.00 1.44 H new ATOM 687 N ASP A 42 8.658 -7.983 -0.938 1.00 0.50 N ATOM 688 CA ASP A 42 10.090 -7.758 -1.073 1.00 0.57 C ATOM 689 C ASP A 42 10.598 -8.287 -2.405 1.00 0.62 C ATOM 690 O ASP A 42 10.971 -9.455 -2.520 1.00 0.91 O ATOM 691 CB ASP A 42 10.841 -8.429 0.075 1.00 0.71 C ATOM 692 CG ASP A 42 9.925 -9.216 0.990 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.798 -9.546 0.561 1.00 1.59 O ATOM 694 OD2 ASP A 42 10.332 -9.503 2.134 1.00 1.49 O ATOM 0 H ASP A 42 8.408 -8.737 -0.299 1.00 0.50 H new ATOM 0 HA ASP A 42 10.270 -6.684 -1.037 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.601 -9.096 -0.333 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.363 -7.669 0.656 1.00 0.71 H new ATOM 699 N LEU A 43 10.611 -7.423 -3.410 1.00 0.63 N ATOM 700 CA LEU A 43 11.077 -7.809 -4.735 1.00 0.68 C ATOM 701 C LEU A 43 12.502 -8.360 -4.663 1.00 0.81 C ATOM 702 O LEU A 43 13.269 -7.995 -3.772 1.00 0.90 O ATOM 703 CB LEU A 43 11.034 -6.610 -5.696 1.00 0.62 C ATOM 704 CG LEU A 43 9.644 -6.030 -6.024 1.00 0.64 C ATOM 705 CD1 LEU A 43 8.531 -7.046 -5.785 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.397 -4.761 -5.220 1.00 0.80 C ATOM 0 H LEU A 43 10.305 -6.453 -3.334 1.00 0.63 H new ATOM 0 HA LEU A 43 10.413 -8.587 -5.112 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.643 -5.812 -5.271 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.507 -6.908 -6.632 1.00 0.62 H new ATOM 0 HG LEU A 43 9.632 -5.783 -7.086 1.00 0.64 H new ATOM 0 HD11 LEU A 43 7.569 -6.596 -6.029 1.00 0.70 H new ATOM 0 HD12 LEU A 43 8.693 -7.919 -6.417 1.00 0.70 H new ATOM 0 HD13 LEU A 43 8.535 -7.350 -4.738 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.412 -4.363 -5.462 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.444 -4.990 -4.155 1.00 0.80 H new ATOM 0 HD23 LEU A 43 10.158 -4.020 -5.466 1.00 0.80 H new ATOM 718 N PRO A 44 12.881 -9.250 -5.602 1.00 0.92 N ATOM 719 CA PRO A 44 12.013 -9.716 -6.681 1.00 0.99 C ATOM 720 C PRO A 44 11.222 -10.962 -6.299 1.00 1.15 C ATOM 721 O PRO A 44 10.905 -11.791 -7.152 1.00 1.43 O ATOM 722 CB PRO A 44 13.015 -10.040 -7.782 1.00 1.15 C ATOM 723 CG PRO A 44 14.231 -10.520 -7.053 1.00 1.25 C ATOM 724 CD PRO A 44 14.212 -9.876 -5.683 1.00 1.08 C ATOM 0 HA PRO A 44 11.256 -8.982 -6.956 1.00 0.99 H new ATOM 0 HB2 PRO A 44 12.630 -10.804 -8.457 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.237 -9.162 -8.388 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.225 -11.607 -6.968 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.137 -10.248 -7.594 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.355 -10.614 -4.893 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.007 -9.138 -5.578 1.00 1.08 H new ATOM 732 N ASN A 45 10.908 -11.093 -5.013 1.00 1.14 N ATOM 733 CA ASN A 45 10.157 -12.247 -4.531 1.00 1.33 C ATOM 734 C ASN A 45 10.053 -12.239 -3.011 1.00 1.43 C ATOM 735 O ASN A 45 10.986 -12.634 -2.312 1.00 2.42 O ATOM 736 CB ASN A 45 10.813 -13.553 -4.999 1.00 1.66 C ATOM 737 CG ASN A 45 12.323 -13.449 -5.105 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.895 -13.612 -6.184 1.00 2.66 O ATOM 739 ND2 ASN A 45 12.979 -13.174 -3.983 1.00 1.89 N ATOM 0 H ASN A 45 11.160 -10.419 -4.290 1.00 1.14 H new ATOM 0 HA ASN A 45 9.152 -12.184 -4.948 1.00 1.33 H new ATOM 0 HB2 ASN A 45 10.557 -14.352 -4.304 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.404 -13.832 -5.970 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.996 -13.090 -3.994 1.00 1.89 H new ATOM 0 HD22 ASN A 45 12.466 -13.046 -3.111 1.00 1.89 H new ATOM 746 N GLY A 46 8.911 -11.787 -2.504 1.00 0.90 N ATOM 747 CA GLY A 46 8.706 -11.738 -1.067 1.00 1.12 C ATOM 748 C GLY A 46 7.341 -12.255 -0.647 1.00 0.76 C ATOM 749 O GLY A 46 6.981 -13.394 -0.945 1.00 0.96 O ATOM 0 H GLY A 46 8.124 -11.454 -3.061 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.479 -12.327 -0.574 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.821 -10.710 -0.723 1.00 1.12 H new ATOM 753 N ARG A 47 6.587 -11.414 0.054 1.00 0.80 N ATOM 754 CA ARG A 47 5.256 -11.780 0.531 1.00 0.76 C ATOM 755 C ARG A 47 4.258 -10.648 0.273 1.00 0.85 C ATOM 756 O ARG A 47 4.570 -9.693 -0.431 1.00 1.71 O ATOM 757 CB ARG A 47 5.303 -12.129 2.031 1.00 0.99 C ATOM 758 CG ARG A 47 6.376 -11.392 2.830 1.00 1.31 C ATOM 759 CD ARG A 47 5.773 -10.305 3.704 1.00 1.11 C ATOM 760 NE ARG A 47 6.436 -10.218 5.002 1.00 1.41 N ATOM 761 CZ ARG A 47 6.351 -11.159 5.936 1.00 1.71 C ATOM 762 NH1 ARG A 47 5.633 -12.252 5.714 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.982 -11.009 7.092 1.00 2.03 N ATOM 0 H ARG A 47 6.876 -10.469 0.306 1.00 0.80 H new ATOM 0 HA ARG A 47 4.922 -12.659 -0.020 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.330 -11.911 2.470 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.466 -13.202 2.135 1.00 0.99 H new ATOM 0 HG2 ARG A 47 6.918 -12.102 3.454 1.00 1.31 H new ATOM 0 HG3 ARG A 47 7.101 -10.950 2.146 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.848 -9.345 3.193 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.712 -10.505 3.851 1.00 1.11 H new ATOM 0 HE ARG A 47 6.995 -9.389 5.203 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.146 -12.370 4.826 1.00 2.41 H new ATOM 0 HH12 ARG A 47 5.568 -12.974 6.432 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.535 -10.170 7.266 1.00 2.03 H new ATOM 0 HH22 ARG A 47 6.915 -11.733 7.807 1.00 2.03 H new ATOM 777 N TRP A 48 3.059 -10.759 0.841 1.00 0.50 N ATOM 778 CA TRP A 48 2.036 -9.753 0.671 1.00 0.43 C ATOM 779 C TRP A 48 1.344 -9.449 1.997 1.00 0.45 C ATOM 780 O TRP A 48 0.116 -9.445 2.080 1.00 0.65 O ATOM 781 CB TRP A 48 1.003 -10.199 -0.364 1.00 0.47 C ATOM 782 CG TRP A 48 1.436 -9.982 -1.781 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.329 -10.863 -2.817 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.044 -8.803 -2.315 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.833 -10.302 -3.966 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.280 -9.037 -3.683 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.409 -7.575 -1.768 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.866 -8.081 -4.509 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.992 -6.626 -2.587 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.215 -6.884 -3.945 1.00 0.38 C ATOM 0 H TRP A 48 2.779 -11.546 1.426 1.00 0.50 H new ATOM 0 HA TRP A 48 2.521 -8.844 0.315 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.789 -11.258 -0.217 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.072 -9.659 -0.191 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.910 -11.856 -2.745 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.869 -10.753 -4.880 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.239 -7.368 -0.722 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.039 -8.277 -5.557 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.280 -5.671 -2.173 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.672 -6.123 -4.560 1.00 0.38 H new ATOM 801 N LEU A 49 2.138 -9.198 3.031 1.00 0.38 N ATOM 802 CA LEU A 49 1.602 -8.896 4.355 1.00 0.42 C ATOM 803 C LEU A 49 1.301 -7.407 4.503 1.00 0.36 C ATOM 804 O LEU A 49 1.978 -6.564 3.916 1.00 0.39 O ATOM 805 CB LEU A 49 2.593 -9.333 5.435 1.00 0.52 C ATOM 806 CG LEU A 49 2.283 -10.681 6.088 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.099 -10.556 7.034 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.012 -11.738 5.029 1.00 0.84 C ATOM 0 H LEU A 49 3.157 -9.197 2.979 1.00 0.38 H new ATOM 0 HA LEU A 49 0.669 -9.447 4.473 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.589 -9.380 4.996 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.622 -8.568 6.211 1.00 0.52 H new ATOM 0 HG LEU A 49 3.153 -10.991 6.666 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.893 -11.525 7.489 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.331 -9.831 7.814 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.223 -10.223 6.478 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.793 -12.690 5.513 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.159 -11.435 4.422 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.889 -11.848 4.392 1.00 0.84 H new ATOM 820 N LYS A 50 0.279 -7.091 5.298 1.00 0.40 N ATOM 821 CA LYS A 50 -0.111 -5.703 5.529 1.00 0.40 C ATOM 822 C LYS A 50 0.811 -5.042 6.547 1.00 0.47 C ATOM 823 O LYS A 50 0.544 -5.071 7.748 1.00 0.85 O ATOM 824 CB LYS A 50 -1.569 -5.596 6.010 1.00 0.59 C ATOM 825 CG LYS A 50 -1.972 -6.618 7.066 1.00 0.72 C ATOM 826 CD LYS A 50 -3.436 -6.468 7.449 1.00 1.03 C ATOM 827 CE LYS A 50 -3.698 -5.157 8.169 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.251 -5.200 9.589 1.00 1.30 N ATOM 0 H LYS A 50 -0.292 -7.777 5.792 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.024 -5.184 4.575 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.731 -4.596 6.412 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.229 -5.704 5.150 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.794 -7.625 6.688 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.348 -6.495 7.951 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -4.054 -6.520 6.552 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.732 -7.300 8.089 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.181 -4.349 7.651 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.763 -4.929 8.131 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.072 -5.079 10.215 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -2.799 -6.116 9.783 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -2.569 -4.434 9.762 1.00 1.30 H new ATOM 842 N ALA A 51 1.898 -4.441 6.064 1.00 0.45 N ATOM 843 CA ALA A 51 2.852 -3.770 6.943 1.00 0.63 C ATOM 844 C ALA A 51 2.129 -2.838 7.905 1.00 0.55 C ATOM 845 O ALA A 51 2.454 -2.774 9.091 1.00 0.72 O ATOM 846 CB ALA A 51 3.878 -2.996 6.130 1.00 0.86 C ATOM 0 H ALA A 51 2.138 -4.406 5.073 1.00 0.45 H new ATOM 0 HA ALA A 51 3.374 -4.531 7.523 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.579 -2.503 6.803 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.420 -3.683 5.480 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.371 -2.246 5.523 1.00 0.86 H new ATOM 852 N ASN A 52 1.140 -2.121 7.382 1.00 0.42 N ATOM 853 CA ASN A 52 0.359 -1.196 8.192 1.00 0.43 C ATOM 854 C ASN A 52 -0.343 -1.948 9.320 1.00 0.59 C ATOM 855 O ASN A 52 -1.378 -2.580 9.107 1.00 1.60 O ATOM 856 CB ASN A 52 -0.668 -0.472 7.314 1.00 0.38 C ATOM 857 CG ASN A 52 -1.667 0.337 8.122 1.00 0.96 C ATOM 858 OD1 ASN A 52 -2.846 -0.232 8.342 1.00 2.01 O flip ATOM 859 ND2 ASN A 52 -1.385 1.457 8.544 1.00 0.62 N flip ATOM 0 H ASN A 52 0.861 -2.163 6.402 1.00 0.42 H new ATOM 0 HA ASN A 52 1.029 -0.457 8.632 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.146 0.190 6.623 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -1.204 -1.205 6.711 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -0.467 1.858 8.352 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.069 1.985 9.086 1.00 0.62 H new ATOM 866 N PHE A 53 0.227 -1.878 10.518 1.00 0.81 N ATOM 867 CA PHE A 53 -0.345 -2.557 11.676 1.00 0.82 C ATOM 868 C PHE A 53 -1.035 -1.570 12.613 1.00 0.84 C ATOM 869 O PHE A 53 -1.108 -1.799 13.820 1.00 1.20 O ATOM 870 CB PHE A 53 0.739 -3.317 12.438 1.00 0.96 C ATOM 871 CG PHE A 53 0.292 -4.671 12.897 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.185 -5.597 11.985 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.343 -5.018 14.236 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.603 -6.844 12.399 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.073 -6.265 14.658 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.546 -7.181 13.738 1.00 1.96 C ATOM 0 H PHE A 53 1.083 -1.359 10.713 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.091 -3.263 11.309 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.615 -3.427 11.799 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.047 -2.730 13.303 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -0.230 -5.340 10.937 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.712 -4.305 14.959 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -0.975 -7.557 11.678 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -0.029 -6.524 15.706 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.870 -8.158 14.065 1.00 1.96 H new ATOM 886 N SER A 54 -1.538 -0.474 12.057 1.00 0.79 N ATOM 887 CA SER A 54 -2.218 0.540 12.857 1.00 0.89 C ATOM 888 C SER A 54 -3.563 0.911 12.241 1.00 0.95 C ATOM 889 O SER A 54 -4.618 0.575 12.780 1.00 1.89 O ATOM 890 CB SER A 54 -1.342 1.788 12.991 1.00 1.00 C ATOM 891 OG SER A 54 -1.889 2.698 13.930 1.00 1.71 O ATOM 0 H SER A 54 -1.489 -0.264 11.060 1.00 0.79 H new ATOM 0 HA SER A 54 -2.397 0.123 13.848 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.338 1.499 13.302 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.247 2.275 12.021 1.00 1.00 H new ATOM 0 HG SER A 54 -1.310 3.485 13.998 1.00 1.71 H new ATOM 897 N ASN A 55 -3.518 1.605 11.110 1.00 0.75 N ATOM 898 CA ASN A 55 -4.732 2.024 10.414 1.00 0.69 C ATOM 899 C ASN A 55 -4.396 2.992 9.286 1.00 0.66 C ATOM 900 O ASN A 55 -3.382 3.688 9.334 1.00 1.05 O ATOM 901 CB ASN A 55 -5.714 2.679 11.389 1.00 0.84 C ATOM 902 CG ASN A 55 -7.053 1.969 11.422 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.403 1.327 12.412 1.00 1.87 O ATOM 904 ND2 ASN A 55 -7.811 2.081 10.337 1.00 0.83 N ATOM 0 H ASN A 55 -2.652 1.891 10.653 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.201 1.137 9.988 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.282 2.681 12.390 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.865 3.720 11.105 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.723 1.625 10.302 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.481 2.623 9.538 1.00 0.83 H new ATOM 911 N ILE A 56 -5.251 3.031 8.269 1.00 0.40 N ATOM 912 CA ILE A 56 -5.037 3.914 7.131 1.00 0.33 C ATOM 913 C ILE A 56 -6.351 4.501 6.633 1.00 0.31 C ATOM 914 O ILE A 56 -6.704 4.352 5.464 1.00 0.53 O ATOM 915 CB ILE A 56 -4.351 3.170 5.971 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.164 2.358 6.488 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.900 4.149 4.897 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.421 1.616 5.400 1.00 0.69 C ATOM 0 H ILE A 56 -6.096 2.463 8.211 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.390 4.721 7.474 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.073 2.485 5.527 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.471 3.027 6.999 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.519 1.641 7.228 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.418 3.603 4.086 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.765 4.686 4.508 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.194 4.860 5.326 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.592 1.061 5.839 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -3.100 0.922 4.904 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.035 2.329 4.671 1.00 0.69 H new ATOM 930 N LEU A 57 -7.077 5.171 7.525 1.00 0.44 N ATOM 931 CA LEU A 57 -8.354 5.781 7.166 1.00 0.45 C ATOM 932 C LEU A 57 -8.223 6.592 5.882 1.00 0.42 C ATOM 933 O LEU A 57 -9.123 6.597 5.043 1.00 0.60 O ATOM 934 CB LEU A 57 -8.861 6.676 8.300 1.00 0.48 C ATOM 935 CG LEU A 57 -10.321 7.123 8.170 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.202 5.965 7.726 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.822 7.698 9.486 1.00 1.60 C ATOM 0 H LEU A 57 -6.804 5.305 8.499 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.075 4.980 7.001 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.743 6.143 9.243 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.229 7.562 8.353 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.372 7.902 7.410 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -12.234 6.305 7.640 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.860 5.597 6.759 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -11.145 5.162 8.460 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.860 8.010 9.375 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.753 6.938 10.265 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -10.212 8.558 9.763 1.00 1.60 H new ATOM 949 N GLU A 58 -7.091 7.270 5.736 1.00 0.39 N ATOM 950 CA GLU A 58 -6.830 8.080 4.556 1.00 0.43 C ATOM 951 C GLU A 58 -6.081 7.261 3.512 1.00 0.51 C ATOM 952 O GLU A 58 -5.573 6.181 3.809 1.00 1.09 O ATOM 953 CB GLU A 58 -6.018 9.320 4.932 1.00 0.44 C ATOM 954 CG GLU A 58 -4.580 9.012 5.316 1.00 0.44 C ATOM 955 CD GLU A 58 -4.281 9.325 6.769 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.647 8.508 7.640 1.00 1.54 O ATOM 957 OE2 GLU A 58 -3.682 10.388 7.036 1.00 1.29 O ATOM 0 H GLU A 58 -6.338 7.274 6.424 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.783 8.400 4.136 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.020 10.014 4.092 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.507 9.826 5.764 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.376 7.958 5.126 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.907 9.587 4.679 1.00 0.44 H new ATOM 964 N ASN A 59 -6.015 7.776 2.292 1.00 0.31 N ATOM 965 CA ASN A 59 -5.324 7.078 1.216 1.00 0.28 C ATOM 966 C ASN A 59 -3.843 7.457 1.157 1.00 0.28 C ATOM 967 O ASN A 59 -3.165 7.183 0.167 1.00 0.49 O ATOM 968 CB ASN A 59 -5.993 7.365 -0.128 1.00 0.32 C ATOM 969 CG ASN A 59 -5.901 8.826 -0.522 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.143 9.594 0.068 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.679 9.218 -1.525 1.00 0.91 N ATOM 0 H ASN A 59 -6.429 8.669 2.023 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.389 6.010 1.425 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.526 6.754 -0.900 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.041 7.071 -0.079 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.662 10.190 -1.834 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.293 8.547 -1.986 1.00 0.91 H new ATOM 978 N GLU A 60 -3.345 8.077 2.224 1.00 0.29 N ATOM 979 CA GLU A 60 -1.946 8.479 2.296 1.00 0.29 C ATOM 980 C GLU A 60 -1.294 7.845 3.518 1.00 0.27 C ATOM 981 O GLU A 60 -1.457 8.329 4.638 1.00 0.35 O ATOM 982 CB GLU A 60 -1.825 10.001 2.368 1.00 0.34 C ATOM 983 CG GLU A 60 -0.389 10.497 2.337 1.00 0.49 C ATOM 984 CD GLU A 60 0.310 10.180 1.029 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.224 10.554 -0.036 1.00 2.05 O ATOM 986 OE2 GLU A 60 1.391 9.557 1.071 1.00 1.91 O ATOM 0 H GLU A 60 -3.893 8.312 3.052 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.436 8.137 1.395 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.371 10.441 1.533 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.303 10.353 3.282 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.377 11.575 2.499 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.165 10.045 3.160 1.00 0.49 H new ATOM 993 N PHE A 61 -0.570 6.755 3.300 1.00 0.24 N ATOM 994 CA PHE A 61 0.084 6.052 4.396 1.00 0.24 C ATOM 995 C PHE A 61 1.548 5.751 4.072 1.00 0.24 C ATOM 996 O PHE A 61 1.980 5.865 2.925 1.00 0.25 O ATOM 997 CB PHE A 61 -0.690 4.762 4.702 1.00 0.28 C ATOM 998 CG PHE A 61 0.058 3.771 5.546 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.012 3.819 6.928 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.831 2.793 4.949 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.679 2.905 7.700 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.523 1.879 5.713 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.449 1.934 7.092 1.00 0.48 C ATOM 0 H PHE A 61 -0.421 6.340 2.380 1.00 0.24 H new ATOM 0 HA PHE A 61 0.079 6.692 5.278 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.619 5.023 5.208 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.963 4.285 3.761 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.612 4.578 7.407 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.893 2.745 3.872 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.617 2.950 8.777 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.123 1.119 5.234 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.992 1.219 7.692 1.00 0.48 H new ATOM 1013 N THR A 62 2.300 5.366 5.101 1.00 0.25 N ATOM 1014 CA THR A 62 3.712 5.047 4.949 1.00 0.27 C ATOM 1015 C THR A 62 3.985 3.594 5.301 1.00 0.29 C ATOM 1016 O THR A 62 3.727 3.161 6.422 1.00 0.35 O ATOM 1017 CB THR A 62 4.560 5.958 5.837 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.204 7.317 5.650 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.046 5.832 5.587 1.00 0.37 C ATOM 0 H THR A 62 1.949 5.268 6.054 1.00 0.25 H new ATOM 0 HA THR A 62 3.981 5.208 3.905 1.00 0.27 H new ATOM 0 HB THR A 62 4.355 5.633 6.857 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.793 7.720 4.978 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.585 6.507 6.252 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.361 4.806 5.778 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.264 6.092 4.551 1.00 0.37 H new ATOM 1027 N VAL A 63 4.515 2.845 4.340 1.00 0.31 N ATOM 1028 CA VAL A 63 4.814 1.443 4.570 1.00 0.36 C ATOM 1029 C VAL A 63 6.169 1.264 5.234 1.00 0.38 C ATOM 1030 O VAL A 63 7.213 1.387 4.594 1.00 0.50 O ATOM 1031 CB VAL A 63 4.777 0.633 3.262 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.813 -0.858 3.557 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.543 0.994 2.451 1.00 0.58 C ATOM 0 H VAL A 63 4.743 3.184 3.405 1.00 0.31 H new ATOM 0 HA VAL A 63 4.040 1.067 5.239 1.00 0.36 H new ATOM 0 HB VAL A 63 5.659 0.883 2.673 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.786 -1.415 2.620 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.728 -1.100 4.097 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.950 -1.129 4.165 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.531 0.413 1.529 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.648 0.771 3.032 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.564 2.057 2.210 1.00 0.58 H new ATOM 1043 N SER A 64 6.136 0.968 6.525 1.00 0.49 N ATOM 1044 CA SER A 64 7.353 0.762 7.295 1.00 0.55 C ATOM 1045 C SER A 64 7.703 -0.720 7.349 1.00 0.63 C ATOM 1046 O SER A 64 7.123 -1.529 6.625 1.00 0.99 O ATOM 1047 CB SER A 64 7.183 1.315 8.711 1.00 0.63 C ATOM 1048 OG SER A 64 6.036 2.143 8.801 1.00 1.33 O ATOM 0 H SER A 64 5.276 0.865 7.063 1.00 0.49 H new ATOM 0 HA SER A 64 8.168 1.295 6.805 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.097 0.491 9.419 1.00 0.63 H new ATOM 0 HB3 SER A 64 8.069 1.884 8.991 1.00 0.63 H new ATOM 0 HG SER A 64 5.949 2.483 9.716 1.00 1.33 H new ATOM 1054 N GLY A 65 8.651 -1.071 8.207 1.00 0.71 N ATOM 1055 CA GLY A 65 9.055 -2.458 8.333 1.00 0.78 C ATOM 1056 C GLY A 65 9.691 -3.005 7.068 1.00 0.72 C ATOM 1057 O GLY A 65 9.892 -4.213 6.944 1.00 0.90 O ATOM 0 H GLY A 65 9.147 -0.422 8.817 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.761 -2.552 9.158 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.185 -3.063 8.587 1.00 0.78 H new ATOM 1061 N LEU A 66 10.016 -2.120 6.127 1.00 0.64 N ATOM 1062 CA LEU A 66 10.639 -2.536 4.878 1.00 0.65 C ATOM 1063 C LEU A 66 12.060 -3.024 5.143 1.00 0.59 C ATOM 1064 O LEU A 66 12.401 -3.378 6.271 1.00 0.65 O ATOM 1065 CB LEU A 66 10.652 -1.376 3.872 1.00 0.74 C ATOM 1066 CG LEU A 66 9.314 -0.654 3.692 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.513 0.681 2.978 1.00 0.89 C ATOM 1068 CD2 LEU A 66 8.338 -1.534 2.926 1.00 1.47 C ATOM 0 H LEU A 66 9.858 -1.116 6.208 1.00 0.64 H new ATOM 0 HA LEU A 66 10.058 -3.354 4.451 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.399 -0.649 4.190 1.00 0.74 H new ATOM 0 HB3 LEU A 66 10.973 -1.760 2.903 1.00 0.74 H new ATOM 0 HG LEU A 66 8.895 -0.451 4.678 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.550 1.178 2.860 1.00 0.89 H new ATOM 0 HD12 LEU A 66 10.178 1.313 3.567 1.00 0.89 H new ATOM 0 HD13 LEU A 66 9.954 0.507 1.996 1.00 0.89 H new ATOM 0 HD21 LEU A 66 7.391 -1.008 2.806 1.00 1.47 H new ATOM 0 HD22 LEU A 66 8.751 -1.767 1.945 1.00 1.47 H new ATOM 0 HD23 LEU A 66 8.171 -2.459 3.478 1.00 1.47 H new ATOM 1080 N THR A 67 12.886 -3.035 4.107 1.00 0.65 N ATOM 1081 CA THR A 67 14.270 -3.474 4.243 1.00 0.69 C ATOM 1082 C THR A 67 15.171 -2.711 3.281 1.00 0.72 C ATOM 1083 O THR A 67 14.752 -2.334 2.187 1.00 1.06 O ATOM 1084 CB THR A 67 14.390 -4.977 3.994 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.479 -5.695 4.808 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.776 -5.516 4.275 1.00 0.99 C ATOM 0 H THR A 67 12.624 -2.746 3.164 1.00 0.65 H new ATOM 0 HA THR A 67 14.591 -3.265 5.264 1.00 0.69 H new ATOM 0 HB THR A 67 14.167 -5.115 2.936 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.783 -6.095 4.246 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.796 -6.588 4.079 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.499 -5.016 3.630 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.033 -5.333 5.318 1.00 0.99 H new ATOM 1094 N GLU A 68 16.412 -2.487 3.696 1.00 0.66 N ATOM 1095 CA GLU A 68 17.371 -1.765 2.871 1.00 0.67 C ATOM 1096 C GLU A 68 18.003 -2.687 1.835 1.00 0.60 C ATOM 1097 O GLU A 68 18.222 -3.871 2.093 1.00 0.69 O ATOM 1098 CB GLU A 68 18.457 -1.135 3.744 1.00 0.76 C ATOM 1099 CG GLU A 68 18.293 0.364 3.925 1.00 0.96 C ATOM 1100 CD GLU A 68 19.487 1.005 4.603 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.618 0.827 4.105 1.00 1.89 O ATOM 1102 OE2 GLU A 68 19.291 1.683 5.633 1.00 1.91 O ATOM 0 H GLU A 68 16.777 -2.795 4.597 1.00 0.66 H new ATOM 0 HA GLU A 68 16.835 -0.974 2.346 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.449 -1.614 4.723 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.432 -1.335 3.299 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.140 0.829 2.951 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.397 0.559 4.515 1.00 0.96 H new ATOM 1109 N ASP A 69 18.297 -2.136 0.662 1.00 0.52 N ATOM 1110 CA ASP A 69 18.905 -2.907 -0.415 1.00 0.49 C ATOM 1111 C ASP A 69 17.936 -3.954 -0.954 1.00 0.44 C ATOM 1112 O ASP A 69 18.331 -5.077 -1.263 1.00 0.54 O ATOM 1113 CB ASP A 69 20.184 -3.587 0.077 1.00 0.59 C ATOM 1114 CG ASP A 69 21.129 -3.932 -1.057 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.647 -4.149 -2.188 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.354 -3.988 -0.812 1.00 1.66 O ATOM 0 H ASP A 69 18.124 -1.157 0.433 1.00 0.52 H new ATOM 0 HA ASP A 69 19.152 -2.219 -1.223 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.693 -2.930 0.783 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.923 -4.496 0.618 1.00 0.59 H new ATOM 1121 N ALA A 70 16.665 -3.580 -1.063 1.00 0.40 N ATOM 1122 CA ALA A 70 15.644 -4.492 -1.565 1.00 0.40 C ATOM 1123 C ALA A 70 14.428 -3.737 -2.079 1.00 0.35 C ATOM 1124 O ALA A 70 13.807 -2.970 -1.343 1.00 0.36 O ATOM 1125 CB ALA A 70 15.221 -5.464 -0.476 1.00 0.49 C ATOM 0 H ALA A 70 16.318 -2.654 -0.811 1.00 0.40 H new ATOM 0 HA ALA A 70 16.078 -5.047 -2.397 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.458 -6.138 -0.866 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.085 -6.043 -0.150 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.816 -4.909 0.370 1.00 0.49 H new ATOM 1131 N ALA A 71 14.084 -3.964 -3.342 1.00 0.33 N ATOM 1132 CA ALA A 71 12.929 -3.309 -3.937 1.00 0.30 C ATOM 1133 C ALA A 71 11.650 -3.843 -3.308 1.00 0.27 C ATOM 1134 O ALA A 71 11.490 -5.053 -3.151 1.00 0.36 O ATOM 1135 CB ALA A 71 12.919 -3.509 -5.446 1.00 0.34 C ATOM 0 H ALA A 71 14.586 -4.593 -3.969 1.00 0.33 H new ATOM 0 HA ALA A 71 12.990 -2.238 -3.743 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.048 -3.012 -5.873 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.826 -3.084 -5.875 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.876 -4.575 -5.672 1.00 0.34 H new ATOM 1141 N TYR A 72 10.748 -2.942 -2.932 1.00 0.24 N ATOM 1142 CA TYR A 72 9.501 -3.356 -2.303 1.00 0.24 C ATOM 1143 C TYR A 72 8.269 -2.831 -3.036 1.00 0.21 C ATOM 1144 O TYR A 72 8.133 -1.627 -3.266 1.00 0.23 O ATOM 1145 CB TYR A 72 9.452 -2.877 -0.852 1.00 0.30 C ATOM 1146 CG TYR A 72 10.197 -3.758 0.117 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.569 -4.849 0.703 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.520 -3.500 0.450 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.236 -5.661 1.595 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.197 -4.311 1.342 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.551 -5.390 1.912 1.00 0.46 C ATOM 1152 OH TYR A 72 12.218 -6.199 2.801 1.00 0.56 O ATOM 0 H TYR A 72 10.855 -1.935 -3.050 1.00 0.24 H new ATOM 0 HA TYR A 72 9.481 -4.445 -2.346 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.865 -1.869 -0.800 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.410 -2.811 -0.538 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.540 -5.065 0.456 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.027 -2.655 0.007 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.732 -6.505 2.043 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.227 -4.101 1.592 1.00 0.42 H new ATOM 0 HH TYR A 72 12.898 -6.719 2.324 1.00 0.56 H new ATOM 1162 N GLU A 73 7.362 -3.751 -3.366 1.00 0.21 N ATOM 1163 CA GLU A 73 6.110 -3.413 -4.036 1.00 0.21 C ATOM 1164 C GLU A 73 5.015 -3.329 -2.982 1.00 0.23 C ATOM 1165 O GLU A 73 4.978 -4.160 -2.079 1.00 0.32 O ATOM 1166 CB GLU A 73 5.743 -4.485 -5.070 1.00 0.25 C ATOM 1167 CG GLU A 73 6.275 -4.203 -6.461 1.00 0.65 C ATOM 1168 CD GLU A 73 5.175 -4.082 -7.499 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.599 -5.125 -7.876 1.00 1.50 O ATOM 1170 OE2 GLU A 73 4.884 -2.947 -7.931 1.00 1.32 O ATOM 0 H GLU A 73 7.475 -4.747 -3.177 1.00 0.21 H new ATOM 0 HA GLU A 73 6.220 -2.461 -4.555 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.127 -5.448 -4.733 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.658 -4.574 -5.118 1.00 0.25 H new ATOM 0 HG2 GLU A 73 6.854 -3.280 -6.443 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.957 -5.002 -6.753 1.00 0.65 H new ATOM 1177 N PHE A 74 4.130 -2.341 -3.064 1.00 0.22 N ATOM 1178 CA PHE A 74 3.067 -2.251 -2.026 1.00 0.28 C ATOM 1179 C PHE A 74 1.659 -2.117 -2.593 1.00 0.25 C ATOM 1180 O PHE A 74 1.290 -1.067 -3.118 1.00 0.30 O ATOM 1181 CB PHE A 74 3.300 -1.092 -1.050 1.00 0.39 C ATOM 1182 CG PHE A 74 4.678 -0.519 -1.072 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.712 -1.200 -0.471 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.940 0.687 -1.694 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.988 -0.692 -0.481 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.220 1.205 -1.710 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.222 0.570 -1.126 1.00 0.53 C ATOM 0 H PHE A 74 4.109 -1.622 -3.787 1.00 0.22 H new ATOM 0 HA PHE A 74 3.137 -3.203 -1.500 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.588 -0.298 -1.275 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.082 -1.438 -0.040 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.518 -2.145 0.014 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.137 1.229 -2.172 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.799 -1.230 -0.013 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.406 2.145 -2.208 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.213 0.999 -1.134 1.00 0.53 H new ATOM 1197 N ARG A 75 0.865 -3.178 -2.468 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.520 -3.169 -2.954 1.00 0.34 C ATOM 1199 C ARG A 75 -1.452 -2.654 -1.868 1.00 0.31 C ATOM 1200 O ARG A 75 -1.101 -2.670 -0.691 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.965 -4.571 -3.389 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.386 -5.695 -2.543 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.264 -6.937 -2.583 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.800 -7.913 -3.570 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.115 -7.867 -4.862 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -1.889 -6.896 -5.326 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.656 -8.792 -5.694 1.00 1.87 N ATOM 0 H ARG A 75 1.153 -4.056 -2.035 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.566 -2.508 -3.820 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.053 -4.624 -3.350 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.676 -4.727 -4.428 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.613 -5.943 -2.902 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.280 -5.357 -1.512 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.279 -7.400 -1.596 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.289 -6.648 -2.815 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.200 -8.673 -3.249 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.245 -6.181 -4.692 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.128 -6.864 -6.317 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -0.060 -9.542 -5.344 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.899 -8.754 -6.684 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.640 -2.196 -2.257 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.594 -1.684 -1.273 1.00 0.39 C ATOM 1223 C VAL A 76 -4.918 -2.442 -1.291 1.00 0.31 C ATOM 1224 O VAL A 76 -5.608 -2.505 -2.309 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.880 -0.172 -1.449 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.881 0.317 -0.407 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.600 0.639 -1.349 1.00 0.54 C ATOM 0 H VAL A 76 -2.962 -2.168 -3.225 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.110 -1.840 -0.309 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.307 -0.032 -2.442 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.066 1.382 -0.551 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.817 -0.231 -0.516 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.477 0.151 0.592 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.829 1.697 -1.476 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.145 0.481 -0.371 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.906 0.322 -2.128 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.269 -2.986 -0.132 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.506 -3.710 0.055 1.00 0.31 C ATOM 1239 C ILE A 77 -7.337 -2.951 1.084 1.00 0.30 C ATOM 1240 O ILE A 77 -6.783 -2.218 1.903 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.237 -5.159 0.538 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.777 -6.028 -0.629 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.469 -5.766 1.189 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.266 -7.388 -0.208 1.00 0.42 C ATOM 0 H ILE A 77 -4.693 -2.933 0.708 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.041 -3.781 -0.892 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.447 -5.119 1.288 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.608 -6.160 -1.322 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.989 -5.505 -1.172 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.245 -6.781 1.516 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.760 -5.164 2.050 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.287 -5.789 0.469 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.957 -7.949 -1.090 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.414 -7.266 0.461 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.058 -7.930 0.308 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.652 -3.110 1.055 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.481 -2.397 2.022 1.00 0.30 C ATOM 1258 C ALA A 78 -10.930 -2.834 1.965 1.00 0.34 C ATOM 1259 O ALA A 78 -11.488 -3.026 0.891 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.380 -0.898 1.791 1.00 0.39 C ATOM 0 H ALA A 78 -9.157 -3.704 0.398 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.105 -2.641 3.016 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.002 -0.375 2.517 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.343 -0.581 1.906 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.722 -0.661 0.783 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.539 -2.980 3.133 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.931 -3.386 3.209 1.00 0.43 C ATOM 1268 C LYS A 79 -13.852 -2.184 3.065 1.00 0.59 C ATOM 1269 O LYS A 79 -13.397 -1.046 2.962 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.211 -4.111 4.523 1.00 0.56 C ATOM 1271 CG LYS A 79 -13.042 -3.234 5.752 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.746 -3.827 6.960 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.215 -5.214 7.289 1.00 1.71 C ATOM 1274 NZ LYS A 79 -14.302 -6.138 7.715 1.00 1.98 N ATOM 0 H LYS A 79 -11.092 -2.824 4.036 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.127 -4.073 2.385 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -14.229 -4.501 4.503 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -12.543 -4.968 4.604 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.981 -3.113 5.971 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -13.441 -2.240 5.549 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.611 -3.171 7.820 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.817 -3.883 6.767 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.710 -5.626 6.415 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.471 -5.139 8.082 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.899 -7.072 7.930 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -14.768 -5.758 8.564 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -15.000 -6.230 6.949 1.00 1.98 H new ATOM 1288 N ASN A 80 -15.150 -2.449 3.048 1.00 0.65 N ATOM 1289 CA ASN A 80 -16.144 -1.396 2.904 1.00 0.70 C ATOM 1290 C ASN A 80 -17.151 -1.426 4.052 1.00 0.87 C ATOM 1291 O ASN A 80 -17.257 -2.417 4.774 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.877 -1.550 1.572 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.159 -3.002 1.231 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.253 -3.836 1.219 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.420 -3.310 0.953 1.00 2.05 N ATOM 0 H ASN A 80 -15.540 -3.388 3.132 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.626 -0.437 2.928 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.817 -1.000 1.612 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.279 -1.103 0.778 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.670 -4.270 0.717 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -19.138 -2.586 0.975 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.886 -0.329 4.211 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.889 -0.214 5.266 1.00 0.82 C ATOM 1304 C ALA A 81 -19.796 -1.441 5.326 1.00 0.88 C ATOM 1305 O ALA A 81 -20.367 -1.749 6.373 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.724 1.042 5.056 1.00 0.83 C ATOM 0 H ALA A 81 -17.805 0.498 3.619 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.361 -0.147 6.217 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.470 1.120 5.847 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.076 1.918 5.081 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.225 0.988 4.089 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.935 -2.136 4.201 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.783 -3.322 4.139 1.00 0.90 C ATOM 1314 C ALA A 82 -20.109 -4.538 4.772 1.00 0.88 C ATOM 1315 O ALA A 82 -20.756 -5.558 5.010 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.164 -3.622 2.696 1.00 0.94 C ATOM 0 H ALA A 82 -19.473 -1.900 3.323 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.685 -3.111 4.713 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.797 -4.509 2.664 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.707 -2.774 2.279 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.262 -3.798 2.111 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.810 -4.433 5.042 1.00 0.82 N ATOM 1323 CA GLY A 83 -18.091 -5.541 5.639 1.00 0.86 C ATOM 1324 C GLY A 83 -17.317 -6.348 4.614 1.00 0.78 C ATOM 1325 O GLY A 83 -16.409 -7.101 4.966 1.00 0.93 O ATOM 0 H GLY A 83 -18.246 -3.603 4.858 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -17.402 -5.160 6.393 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.797 -6.193 6.153 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.674 -6.188 3.343 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.004 -6.905 2.267 1.00 0.78 C ATOM 1331 C ALA A 84 -15.511 -6.610 2.279 1.00 0.76 C ATOM 1332 O ALA A 84 -14.977 -6.124 3.277 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.610 -6.525 0.926 1.00 0.92 C ATOM 0 H ALA A 84 -18.423 -5.568 3.035 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.144 -7.975 2.422 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.101 -7.068 0.130 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.669 -6.781 0.920 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.495 -5.453 0.766 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.834 -6.897 1.174 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.404 -6.646 1.092 1.00 0.40 C ATOM 1341 C ILE A 85 -12.980 -6.213 -0.305 1.00 0.38 C ATOM 1342 O ILE A 85 -12.913 -7.024 -1.229 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.576 -7.877 1.525 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.108 -7.484 1.714 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.702 -9.007 0.513 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.658 -7.509 3.159 1.00 0.79 C ATOM 0 H ILE A 85 -15.247 -7.299 0.333 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.202 -5.829 1.785 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.970 -8.237 2.476 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.481 -8.162 1.135 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.953 -6.483 1.311 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.109 -9.860 0.844 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.747 -9.304 0.427 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.340 -8.668 -0.458 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.609 -7.220 3.218 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.260 -6.810 3.740 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.781 -8.515 3.561 1.00 0.79 H new ATOM 1358 N SER A 86 -12.681 -4.927 -0.456 1.00 0.39 N ATOM 1359 CA SER A 86 -12.247 -4.408 -1.743 1.00 0.45 C ATOM 1360 C SER A 86 -10.923 -5.074 -2.120 1.00 0.44 C ATOM 1361 O SER A 86 -9.934 -4.950 -1.382 1.00 0.43 O ATOM 1362 CB SER A 86 -12.097 -2.878 -1.698 1.00 0.54 C ATOM 1363 OG SER A 86 -10.742 -2.486 -1.559 1.00 0.59 O ATOM 0 H SER A 86 -12.731 -4.233 0.290 1.00 0.39 H new ATOM 0 HA SER A 86 -12.999 -4.637 -2.498 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.509 -2.445 -2.610 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.678 -2.480 -0.866 1.00 0.54 H new ATOM 0 HG SER A 86 -10.484 -2.528 -0.614 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.885 -5.798 -3.257 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.684 -6.499 -3.713 1.00 0.61 C ATOM 1371 C PRO A 87 -8.435 -5.624 -3.700 1.00 0.54 C ATOM 1372 O PRO A 87 -8.521 -4.395 -3.703 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.022 -6.941 -5.143 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.309 -6.268 -5.486 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.005 -6.005 -4.184 1.00 0.59 C ATOM 0 HA PRO A 87 -9.443 -7.329 -3.049 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.233 -6.652 -5.838 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.120 -8.025 -5.204 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.130 -5.338 -6.026 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.918 -6.900 -6.132 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.652 -5.129 -4.240 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.631 -6.845 -3.882 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.251 -6.261 -3.680 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.966 -5.554 -3.658 1.00 0.56 C ATOM 1385 C PRO A 88 -5.729 -4.700 -4.894 1.00 0.48 C ATOM 1386 O PRO A 88 -6.211 -5.008 -5.984 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.928 -6.683 -3.603 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.644 -7.895 -4.088 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.073 -7.725 -3.668 1.00 0.72 C ATOM 0 HA PRO A 88 -5.920 -4.859 -2.819 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.066 -6.457 -4.231 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.555 -6.826 -2.589 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.564 -7.988 -5.171 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.216 -8.800 -3.657 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.758 -8.220 -4.357 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.256 -8.146 -2.679 1.00 0.72 H new ATOM 1397 N SER A 89 -4.967 -3.628 -4.709 1.00 0.43 N ATOM 1398 CA SER A 89 -4.635 -2.718 -5.795 1.00 0.42 C ATOM 1399 C SER A 89 -3.179 -2.916 -6.203 1.00 0.35 C ATOM 1400 O SER A 89 -2.300 -2.976 -5.339 1.00 0.51 O ATOM 1401 CB SER A 89 -4.872 -1.269 -5.368 1.00 0.56 C ATOM 1402 OG SER A 89 -6.216 -1.066 -4.971 1.00 1.28 O ATOM 0 H SER A 89 -4.565 -3.368 -3.808 1.00 0.43 H new ATOM 0 HA SER A 89 -5.278 -2.935 -6.648 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.204 -1.016 -4.544 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.628 -0.599 -6.193 1.00 0.56 H new ATOM 0 HG SER A 89 -6.355 -1.450 -4.080 1.00 1.28 H new ATOM 1408 N GLU A 90 -2.942 -3.023 -7.520 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.596 -3.229 -8.084 1.00 0.37 C ATOM 1410 C GLU A 90 -0.500 -2.599 -7.219 1.00 0.34 C ATOM 1411 O GLU A 90 -0.418 -1.380 -7.105 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.524 -2.653 -9.496 1.00 0.49 C ATOM 1413 CG GLU A 90 -0.515 -3.362 -10.383 1.00 0.90 C ATOM 1414 CD GLU A 90 -0.558 -2.884 -11.820 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.907 -1.706 -12.043 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -0.241 -3.688 -12.722 1.00 1.77 O ATOM 0 H GLU A 90 -3.677 -2.969 -8.225 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.422 -4.305 -8.110 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.510 -2.715 -9.957 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.266 -1.596 -9.437 1.00 0.49 H new ATOM 0 HG2 GLU A 90 0.487 -3.206 -9.983 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -0.705 -4.435 -10.356 1.00 0.90 H new ATOM 1423 N PRO A 91 0.349 -3.427 -6.585 1.00 0.30 N ATOM 1424 CA PRO A 91 1.422 -2.947 -5.716 1.00 0.29 C ATOM 1425 C PRO A 91 2.229 -1.789 -6.295 1.00 0.31 C ATOM 1426 O PRO A 91 2.559 -1.778 -7.481 1.00 0.55 O ATOM 1427 CB PRO A 91 2.316 -4.171 -5.545 1.00 0.36 C ATOM 1428 CG PRO A 91 1.414 -5.340 -5.715 1.00 0.36 C ATOM 1429 CD PRO A 91 0.317 -4.902 -6.652 1.00 0.39 C ATOM 0 HA PRO A 91 1.012 -2.547 -4.789 1.00 0.29 H new ATOM 0 HB2 PRO A 91 3.116 -4.180 -6.285 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.789 -4.179 -4.563 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.956 -6.192 -6.124 1.00 0.36 H new ATOM 0 HG3 PRO A 91 1.002 -5.655 -4.756 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.494 -5.258 -7.667 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.652 -5.294 -6.341 1.00 0.39 H new ATOM 1437 N SER A 92 2.564 -0.821 -5.433 1.00 0.27 N ATOM 1438 CA SER A 92 3.353 0.329 -5.842 1.00 0.31 C ATOM 1439 C SER A 92 4.622 -0.160 -6.504 1.00 0.27 C ATOM 1440 O SER A 92 5.167 -1.196 -6.091 1.00 0.24 O ATOM 1441 CB SER A 92 3.678 1.234 -4.642 1.00 0.39 C ATOM 1442 OG SER A 92 5.059 1.201 -4.310 1.00 1.23 O ATOM 0 H SER A 92 2.297 -0.819 -4.449 1.00 0.27 H new ATOM 0 HA SER A 92 2.777 0.926 -6.550 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.384 2.259 -4.870 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.090 0.918 -3.780 1.00 0.39 H new ATOM 0 HG SER A 92 5.181 0.720 -3.465 1.00 1.23 H new ATOM 1448 N ASP A 93 5.052 0.599 -7.524 1.00 0.33 N ATOM 1449 CA ASP A 93 6.246 0.323 -8.336 1.00 0.36 C ATOM 1450 C ASP A 93 7.177 -0.708 -7.725 1.00 0.32 C ATOM 1451 O ASP A 93 7.056 -1.899 -7.994 1.00 0.56 O ATOM 1452 CB ASP A 93 6.990 1.632 -8.630 1.00 0.45 C ATOM 1453 CG ASP A 93 6.385 2.389 -9.795 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.656 2.010 -10.954 1.00 1.63 O ATOM 1455 OD2 ASP A 93 5.641 3.361 -9.549 1.00 1.55 O ATOM 0 H ASP A 93 4.564 1.446 -7.814 1.00 0.33 H new ATOM 0 HA ASP A 93 5.896 -0.119 -9.269 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.974 2.264 -7.742 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.036 1.412 -8.846 1.00 0.45 H new ATOM 1460 N ALA A 94 8.106 -0.230 -6.926 1.00 0.33 N ATOM 1461 CA ALA A 94 9.099 -1.050 -6.254 1.00 0.28 C ATOM 1462 C ALA A 94 10.290 -0.183 -5.872 1.00 0.29 C ATOM 1463 O ALA A 94 11.074 0.217 -6.733 1.00 0.41 O ATOM 1464 CB ALA A 94 9.556 -2.177 -7.152 1.00 0.34 C ATOM 0 H ALA A 94 8.197 0.765 -6.718 1.00 0.33 H new ATOM 0 HA ALA A 94 8.653 -1.482 -5.358 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.300 -2.779 -6.630 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.702 -2.802 -7.415 1.00 0.34 H new ATOM 0 HB3 ALA A 94 9.996 -1.764 -8.059 1.00 0.34 H new ATOM 1470 N ILE A 95 10.416 0.122 -4.592 1.00 0.25 N ATOM 1471 CA ILE A 95 11.513 0.961 -4.131 1.00 0.28 C ATOM 1472 C ILE A 95 12.662 0.138 -3.573 1.00 0.26 C ATOM 1473 O ILE A 95 12.529 -0.507 -2.532 1.00 0.25 O ATOM 1474 CB ILE A 95 11.038 1.960 -3.064 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.864 2.773 -3.605 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.179 2.874 -2.642 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.518 2.173 -3.278 1.00 0.44 C ATOM 0 H ILE A 95 9.781 -0.194 -3.859 1.00 0.25 H new ATOM 0 HA ILE A 95 11.871 1.509 -5.003 1.00 0.28 H new ATOM 0 HB ILE A 95 10.707 1.409 -2.184 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.912 3.783 -3.197 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.961 2.861 -4.687 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.824 3.574 -1.886 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.991 2.275 -2.229 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.541 3.428 -3.508 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.729 2.801 -3.692 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.450 1.174 -3.709 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.401 2.110 -2.196 1.00 0.44 H new ATOM 1489 N THR A 96 13.795 0.172 -4.273 1.00 0.29 N ATOM 1490 CA THR A 96 14.987 -0.561 -3.856 1.00 0.32 C ATOM 1491 C THR A 96 15.261 -0.325 -2.378 1.00 0.32 C ATOM 1492 O THR A 96 15.764 -1.204 -1.678 1.00 0.38 O ATOM 1493 CB THR A 96 16.195 -0.120 -4.693 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.051 -0.541 -6.037 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.521 -0.654 -4.187 1.00 0.43 C ATOM 0 H THR A 96 13.911 0.703 -5.136 1.00 0.29 H new ATOM 0 HA THR A 96 14.817 -1.626 -4.014 1.00 0.32 H new ATOM 0 HB THR A 96 16.212 0.967 -4.612 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.829 -0.250 -6.556 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.326 -0.299 -4.831 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.689 -0.304 -3.169 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.502 -1.744 -4.198 1.00 0.43 H new ATOM 1503 N CYS A 97 14.920 0.869 -1.910 1.00 0.32 N ATOM 1504 CA CYS A 97 15.124 1.221 -0.517 1.00 0.36 C ATOM 1505 C CYS A 97 16.586 1.027 -0.135 1.00 0.43 C ATOM 1506 O CYS A 97 16.965 -0.001 0.421 1.00 0.64 O ATOM 1507 CB CYS A 97 14.218 0.365 0.368 1.00 0.38 C ATOM 1508 SG CYS A 97 12.460 0.768 0.228 1.00 1.10 S ATOM 0 H CYS A 97 14.502 1.607 -2.476 1.00 0.32 H new ATOM 0 HA CYS A 97 14.869 2.270 -0.370 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.361 -0.684 0.110 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.526 0.483 1.407 1.00 0.38 H new ATOM 0 HG CYS A 97 12.024 1.212 1.369 1.00 1.10 H new ATOM 1514 N ARG A 98 17.402 2.024 -0.453 1.00 0.53 N ATOM 1515 CA ARG A 98 18.831 1.972 -0.161 1.00 0.63 C ATOM 1516 C ARG A 98 19.202 2.922 0.973 1.00 0.80 C ATOM 1517 O ARG A 98 19.217 2.533 2.140 1.00 1.04 O ATOM 1518 CB ARG A 98 19.647 2.299 -1.420 1.00 0.68 C ATOM 1519 CG ARG A 98 18.911 3.178 -2.423 1.00 0.74 C ATOM 1520 CD ARG A 98 19.854 3.763 -3.459 1.00 0.92 C ATOM 1521 NE ARG A 98 20.551 2.723 -4.214 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.045 2.897 -5.436 1.00 2.31 C ATOM 1523 NH1 ARG A 98 20.922 4.066 -6.051 1.00 3.00 N ATOM 1524 NH2 ARG A 98 21.666 1.898 -6.049 1.00 2.68 N ATOM 0 H ARG A 98 17.098 2.881 -0.915 1.00 0.53 H new ATOM 0 HA ARG A 98 19.069 0.958 0.161 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.570 2.798 -1.123 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.931 1.367 -1.909 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.140 2.592 -2.923 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.405 3.986 -1.895 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.291 4.394 -4.146 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.584 4.403 -2.964 1.00 0.92 H new ATOM 0 HE ARG A 98 20.665 1.809 -3.777 1.00 1.64 H new ATOM 0 HH11 ARG A 98 20.446 4.839 -5.586 1.00 3.00 H new ATOM 0 HH12 ARG A 98 21.304 4.192 -6.989 1.00 3.00 H new ATOM 0 HH21 ARG A 98 21.765 0.996 -5.583 1.00 2.68 H new ATOM 0 HH22 ARG A 98 22.045 2.032 -6.987 1.00 2.68 H new ATOM 1538 N ASP A 99 19.502 4.164 0.628 1.00 0.92 N ATOM 1539 CA ASP A 99 19.874 5.163 1.622 1.00 1.20 C ATOM 1540 C ASP A 99 18.984 6.403 1.533 1.00 1.03 C ATOM 1541 O ASP A 99 19.255 7.412 2.183 1.00 1.20 O ATOM 1542 CB ASP A 99 21.339 5.563 1.446 1.00 1.61 C ATOM 1543 CG ASP A 99 21.567 6.395 0.199 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.276 7.609 0.233 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.038 5.832 -0.811 1.00 2.14 O ATOM 0 H ASP A 99 19.496 4.506 -0.333 1.00 0.92 H new ATOM 0 HA ASP A 99 19.735 4.717 2.607 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.666 6.126 2.320 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.954 4.665 1.397 1.00 1.61 H new ATOM 1550 N ASP A 100 17.922 6.330 0.733 1.00 0.85 N ATOM 1551 CA ASP A 100 17.010 7.458 0.582 1.00 0.92 C ATOM 1552 C ASP A 100 17.777 8.740 0.269 1.00 1.22 C ATOM 1553 O ASP A 100 17.317 9.842 0.567 1.00 1.38 O ATOM 1554 CB ASP A 100 16.193 7.639 1.858 1.00 0.87 C ATOM 1555 CG ASP A 100 15.184 8.766 1.748 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.813 9.125 0.610 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.765 9.293 2.802 1.00 2.03 O ATOM 0 H ASP A 100 17.674 5.507 0.184 1.00 0.85 H new ATOM 0 HA ASP A 100 16.339 7.248 -0.251 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.671 6.710 2.086 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.867 7.839 2.691 1.00 0.87 H new ATOM 1562 N VAL A 101 18.953 8.590 -0.330 1.00 1.43 N ATOM 1563 CA VAL A 101 19.784 9.738 -0.678 1.00 1.90 C ATOM 1564 C VAL A 101 20.495 9.535 -2.014 1.00 2.23 C ATOM 1565 O VAL A 101 21.428 10.265 -2.345 1.00 2.80 O ATOM 1566 CB VAL A 101 20.839 10.009 0.409 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.810 8.843 0.509 1.00 2.22 C ATOM 1568 CG2 VAL A 101 21.581 11.307 0.127 1.00 2.67 C ATOM 0 H VAL A 101 19.352 7.687 -0.585 1.00 1.43 H new ATOM 0 HA VAL A 101 19.114 10.594 -0.758 1.00 1.90 H new ATOM 0 HB VAL A 101 20.328 10.113 1.366 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.550 9.051 1.282 1.00 2.22 H new ATOM 0 HG12 VAL A 101 21.263 7.935 0.764 1.00 2.22 H new ATOM 0 HG13 VAL A 101 22.314 8.706 -0.448 1.00 2.22 H new ATOM 0 HG21 VAL A 101 22.322 11.479 0.908 1.00 2.67 H new ATOM 0 HG22 VAL A 101 22.081 11.238 -0.839 1.00 2.67 H new ATOM 0 HG23 VAL A 101 20.872 12.135 0.110 1.00 2.67 H new ATOM 1578 N GLU A 102 20.054 8.542 -2.778 1.00 1.99 N ATOM 1579 CA GLU A 102 20.657 8.254 -4.072 1.00 2.40 C ATOM 1580 C GLU A 102 19.579 7.987 -5.109 1.00 2.00 C ATOM 1581 O GLU A 102 19.497 8.670 -6.131 1.00 2.49 O ATOM 1582 CB GLU A 102 21.595 7.046 -3.987 1.00 3.22 C ATOM 1583 CG GLU A 102 22.040 6.695 -2.577 1.00 3.87 C ATOM 1584 CD GLU A 102 23.412 6.051 -2.542 1.00 4.18 C ATOM 1585 OE1 GLU A 102 23.966 5.779 -3.628 1.00 4.58 O ATOM 1586 OE2 GLU A 102 23.932 5.818 -1.431 1.00 4.47 O ATOM 0 H GLU A 102 19.283 7.925 -2.524 1.00 1.99 H new ATOM 0 HA GLU A 102 21.239 9.126 -4.370 1.00 2.40 H new ATOM 0 HB2 GLU A 102 21.095 6.181 -4.423 1.00 3.22 H new ATOM 0 HB3 GLU A 102 22.478 7.243 -4.595 1.00 3.22 H new ATOM 0 HG2 GLU A 102 22.051 7.599 -1.968 1.00 3.87 H new ATOM 0 HG3 GLU A 102 21.313 6.018 -2.129 1.00 3.87 H new ATOM 1593 N ALA A 103 18.748 6.988 -4.836 1.00 1.84 N ATOM 1594 CA ALA A 103 17.667 6.627 -5.740 1.00 2.56 C ATOM 1595 C ALA A 103 18.208 6.048 -7.043 1.00 3.21 C ATOM 1596 O ALA A 103 18.915 6.778 -7.767 1.00 3.72 O ATOM 1597 CB ALA A 103 16.805 7.847 -6.016 1.00 3.26 C ATOM 1598 OXT ALA A 103 17.918 4.866 -7.327 1.00 3.79 O ATOM 0 H ALA A 103 18.804 6.414 -3.995 1.00 1.84 H new ATOM 0 HA ALA A 103 17.059 5.857 -5.265 1.00 2.56 H new ATOM 0 HB1 ALA A 103 15.996 7.575 -6.693 1.00 3.26 H new ATOM 0 HB2 ALA A 103 16.386 8.216 -5.080 1.00 3.26 H new ATOM 0 HB3 ALA A 103 17.414 8.627 -6.473 1.00 3.26 H new TER 1604 ALA A 103