USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 791 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 84 HIS : no HD1:sc= -1.72 K(o=-1.8,f=-5.1!) USER MOD Set 1.2: A 86 THR OG1 : rot -102:sc= -0.0355 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 SER OG : rot 75:sc= 1.18 USER MOD Set 3.2: A 61 SER OG : rot 150:sc= 0.385 USER MOD Set 4.1: A 11 SER OG : rot -118:sc= 2.03 USER MOD Set 4.2: A 21 ASN : amide:sc= -0.82! K(o=1.2!,f=-0.078) USER MOD Single : A 1 ILE N :NH3+ 168:sc= -0.595 (180deg=-0.822) USER MOD Single : A 2 GLN : amide:sc= -0.0793 K(o=-0.079,f=-2) USER MOD Single : A 4 THR OG1 : rot 34:sc= 0.23 USER MOD Single : A 6 LYS NZ :NH3+ 173:sc=-0.00268 (180deg=-0.0858) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0417 F(o=-1.6!,f=-0.042) USER MOD Single : A 10 TYR OH : rot -127:sc= 0.051 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.936 F(o=-2!,f=-0.94) USER MOD Single : A 17 ASN : amide:sc= -3.36! C(o=-3.4!,f=-7.2!) USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= 1.28 (180deg=0.288) USER MOD Single : A 24 ASN : amide:sc= -2.89! C(o=-2.9!,f=-4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-3.7!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00462 X(o=-0.0046,f=-0.0046) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.0151 F(o=-0.54,f=-0.015) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00283 USER MOD Single : A 55 SER OG : rot -130:sc=-0.00361 USER MOD Single : A 57 SER OG : rot 32:sc= 0.216 USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= -0.0263 (180deg=-0.213) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -115:sc= 1.28 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -150:sc= 0 USER MOD Single : A 73 THR OG1 : rot -22:sc= 0.767 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -97:sc= -0.307 USER MOD Single : A 83 ASN : amide:sc= -0.382 K(o=-0.38,f=-3!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= -1.23 (180deg=-1.23) USER MOD Single : A 99 MET CE :methyl -165:sc= -0.0611 (180deg=-0.423) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -22.052 -3.872 -4.395 1.00 0.00 N ATOM 2 CA ILE A 1 -21.545 -3.057 -3.271 1.00 0.00 C ATOM 3 C ILE A 1 -20.109 -3.421 -2.921 1.00 0.00 C ATOM 4 O ILE A 1 -19.270 -2.539 -2.762 1.00 0.00 O ATOM 5 CB ILE A 1 -22.452 -3.162 -2.017 1.00 0.00 C ATOM 6 CG1 ILE A 1 -23.118 -4.547 -1.888 1.00 0.00 C ATOM 7 CG2 ILE A 1 -23.505 -2.070 -2.046 1.00 0.00 C ATOM 8 CD1 ILE A 1 -22.263 -5.590 -1.201 1.00 0.00 C ATOM 0 H1 ILE A 1 -23.081 -3.749 -4.477 1.00 0.00 H new ATOM 0 H2 ILE A 1 -21.596 -3.567 -5.278 1.00 0.00 H new ATOM 0 H3 ILE A 1 -21.836 -4.875 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.564 -2.020 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 1 -21.815 -3.032 -1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -24.051 -4.438 -1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -23.378 -4.906 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -24.138 -2.151 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -23.018 -1.095 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -24.117 -2.179 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -22.808 -6.533 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -21.340 -5.732 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -22.024 -5.257 -0.191 1.00 0.00 H new ATOM 19 N GLN A 2 -19.815 -4.712 -2.818 1.00 0.00 N ATOM 20 CA GLN A 2 -18.457 -5.161 -2.523 1.00 0.00 C ATOM 21 C GLN A 2 -17.599 -5.228 -3.782 1.00 0.00 C ATOM 22 O GLN A 2 -17.020 -6.262 -4.108 1.00 0.00 O ATOM 23 CB GLN A 2 -18.465 -6.532 -1.859 1.00 0.00 C ATOM 24 CG GLN A 2 -17.758 -6.561 -0.509 1.00 0.00 C ATOM 25 CD GLN A 2 -18.593 -5.974 0.617 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.422 -5.088 0.408 1.00 0.00 O ATOM 27 NE2 GLN A 2 -18.376 -6.467 1.826 1.00 0.00 N ATOM 0 H GLN A 2 -20.494 -5.464 -2.934 1.00 0.00 H new ATOM 0 HA GLN A 2 -18.028 -4.427 -1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -19.497 -6.856 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.988 -7.252 -2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -17.501 -7.591 -0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.822 -6.008 -0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.681 -7.201 1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.904 -6.113 2.624 1.00 0.00 H new ATOM 36 N ARG A 3 -17.604 -4.149 -4.526 1.00 0.00 N ATOM 37 CA ARG A 3 -16.610 -3.947 -5.585 1.00 0.00 C ATOM 38 C ARG A 3 -15.179 -4.113 -5.059 1.00 0.00 C ATOM 39 O ARG A 3 -14.863 -3.756 -3.922 1.00 0.00 O ATOM 40 CB ARG A 3 -16.803 -2.530 -6.144 1.00 0.00 C ATOM 41 CG ARG A 3 -15.676 -2.021 -7.054 1.00 0.00 C ATOM 42 CD ARG A 3 -16.074 -0.729 -7.768 1.00 0.00 C ATOM 43 NE ARG A 3 -16.614 0.264 -6.832 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.547 1.581 -7.014 1.00 0.00 C ATOM 45 NH1 ARG A 3 -15.971 2.077 -8.103 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.055 2.398 -6.098 1.00 0.00 N ATOM 0 H ARG A 3 -18.279 -3.390 -4.428 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.754 -4.697 -6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.738 -2.503 -6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.911 -1.840 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.778 -1.849 -6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.429 -2.785 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.206 -0.313 -8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.818 -0.950 -8.533 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.071 -0.077 -5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.578 1.448 -8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.922 3.087 -8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.494 2.015 -5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.006 3.408 -6.232 1.00 0.00 H new ATOM 60 N THR A 4 -14.336 -4.684 -5.919 1.00 0.00 N ATOM 61 CA THR A 4 -13.007 -5.150 -5.545 1.00 0.00 C ATOM 62 C THR A 4 -12.024 -3.996 -5.315 1.00 0.00 C ATOM 63 O THR A 4 -11.896 -3.105 -6.156 1.00 0.00 O ATOM 64 CB THR A 4 -12.434 -6.085 -6.641 1.00 0.00 C ATOM 65 OG1 THR A 4 -12.255 -5.361 -7.866 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.356 -7.267 -6.910 1.00 0.00 C ATOM 0 H THR A 4 -14.561 -4.836 -6.902 1.00 0.00 H new ATOM 0 HA THR A 4 -13.121 -5.692 -4.606 1.00 0.00 H new ATOM 0 HB THR A 4 -11.477 -6.458 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.009 -4.434 -7.665 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.921 -7.899 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.481 -7.847 -5.995 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.327 -6.902 -7.244 1.00 0.00 H new ATOM 74 N PRO A 5 -11.317 -3.990 -4.168 1.00 0.00 N ATOM 75 CA PRO A 5 -10.242 -3.039 -3.924 1.00 0.00 C ATOM 76 C PRO A 5 -9.007 -3.381 -4.747 1.00 0.00 C ATOM 77 O PRO A 5 -8.516 -4.515 -4.719 1.00 0.00 O ATOM 78 CB PRO A 5 -9.939 -3.173 -2.420 1.00 0.00 C ATOM 79 CG PRO A 5 -10.983 -4.090 -1.862 1.00 0.00 C ATOM 80 CD PRO A 5 -11.519 -4.884 -3.025 1.00 0.00 C ATOM 0 HA PRO A 5 -10.525 -2.025 -4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.940 -3.578 -2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.972 -2.201 -1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.557 -4.749 -1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.779 -3.524 -1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.983 -5.825 -3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.572 -5.133 -2.891 1.00 0.00 H new ATOM 88 N LYS A 6 -8.512 -2.403 -5.481 1.00 0.00 N ATOM 89 CA LYS A 6 -7.366 -2.609 -6.346 1.00 0.00 C ATOM 90 C LYS A 6 -6.103 -2.073 -5.684 1.00 0.00 C ATOM 91 O LYS A 6 -6.154 -1.117 -4.910 1.00 0.00 O ATOM 92 CB LYS A 6 -7.611 -1.933 -7.702 1.00 0.00 C ATOM 93 CG LYS A 6 -6.421 -1.966 -8.647 1.00 0.00 C ATOM 94 CD LYS A 6 -6.784 -1.414 -10.017 1.00 0.00 C ATOM 95 CE LYS A 6 -5.559 -1.268 -10.907 1.00 0.00 C ATOM 96 NZ LYS A 6 -4.801 -2.540 -11.047 1.00 0.00 N ATOM 0 H LYS A 6 -8.887 -1.455 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.228 -3.677 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.458 -2.418 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.894 -0.894 -7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.602 -1.384 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.064 -2.991 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.505 -2.076 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.268 -0.444 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.870 -0.924 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.903 -0.502 -10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.047 -2.419 -11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.379 -2.795 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.445 -3.296 -11.354 1.00 0.00 H new ATOM 110 N ILE A 7 -4.974 -2.698 -5.988 1.00 0.00 N ATOM 111 CA ILE A 7 -3.726 -2.387 -5.311 1.00 0.00 C ATOM 112 C ILE A 7 -2.958 -1.306 -6.044 1.00 0.00 C ATOM 113 O ILE A 7 -2.562 -1.484 -7.197 1.00 0.00 O ATOM 114 CB ILE A 7 -2.813 -3.624 -5.201 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.634 -4.877 -4.910 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.766 -3.408 -4.116 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.497 -4.762 -3.681 1.00 0.00 C ATOM 0 H ILE A 7 -4.898 -3.424 -6.700 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.999 -2.043 -4.314 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.305 -3.765 -6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.268 -5.093 -5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.958 -5.724 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.127 -4.288 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.159 -2.537 -4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.262 -3.244 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.051 -5.690 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.868 -4.577 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.198 -3.936 -3.804 1.00 0.00 H new ATOM 129 N GLN A 8 -2.743 -0.194 -5.371 1.00 0.00 N ATOM 130 CA GLN A 8 -1.908 0.862 -5.897 1.00 0.00 C ATOM 131 C GLN A 8 -0.805 1.171 -4.894 1.00 0.00 C ATOM 132 O GLN A 8 -1.079 1.579 -3.768 1.00 0.00 O ATOM 133 CB GLN A 8 -2.755 2.102 -6.176 1.00 0.00 C ATOM 134 CG GLN A 8 -3.786 1.900 -7.276 1.00 0.00 C ATOM 135 CD GLN A 8 -4.762 3.055 -7.381 1.00 0.00 C ATOM 136 OE1 GLN A 8 -5.065 3.682 -6.254 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -5.257 3.370 -8.463 1.00 0.00 N flip ATOM 0 H GLN A 8 -3.139 0.001 -4.452 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.453 0.545 -6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.267 2.396 -5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.098 2.926 -6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.274 1.774 -8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.338 0.979 -7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.998 2.863 -9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.926 4.138 -8.513 1.00 0.00 H new ATOM 146 N VAL A 9 0.433 0.959 -5.303 1.00 0.00 N ATOM 147 CA VAL A 9 1.579 1.176 -4.432 1.00 0.00 C ATOM 148 C VAL A 9 2.705 1.849 -5.204 1.00 0.00 C ATOM 149 O VAL A 9 3.070 1.411 -6.298 1.00 0.00 O ATOM 150 CB VAL A 9 2.069 -0.154 -3.783 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.043 -1.301 -4.779 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.470 -0.002 -3.194 1.00 0.00 C ATOM 0 H VAL A 9 0.674 0.634 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 9 1.265 1.834 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 9 1.378 -0.387 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.391 -2.213 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.025 -1.447 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.695 -1.067 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.782 -0.947 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.168 0.276 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.461 0.774 -2.428 1.00 0.00 H new ATOM 162 N TYR A 10 3.227 2.927 -4.643 1.00 0.00 N ATOM 163 CA TYR A 10 4.287 3.686 -5.280 1.00 0.00 C ATOM 164 C TYR A 10 5.047 4.496 -4.240 1.00 0.00 C ATOM 165 O TYR A 10 4.612 4.619 -3.097 1.00 0.00 O ATOM 166 CB TYR A 10 3.713 4.609 -6.368 1.00 0.00 C ATOM 167 CG TYR A 10 2.702 5.624 -5.873 1.00 0.00 C ATOM 168 CD1 TYR A 10 3.110 6.865 -5.401 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.338 5.348 -5.891 1.00 0.00 C ATOM 170 CE1 TYR A 10 2.196 7.801 -4.961 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.417 6.280 -5.452 1.00 0.00 C ATOM 172 CZ TYR A 10 0.851 7.504 -4.987 1.00 0.00 C ATOM 173 OH TYR A 10 -0.062 8.432 -4.542 1.00 0.00 O ATOM 0 H TYR A 10 2.930 3.297 -3.740 1.00 0.00 H new ATOM 0 HA TYR A 10 4.978 2.989 -5.755 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.536 5.140 -6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.243 3.994 -7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.163 7.102 -5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.994 4.391 -6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.533 8.761 -4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.638 6.051 -5.473 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.649 8.019 -3.875 1.00 0.00 H new ATOM 183 N SER A 11 6.184 5.029 -4.635 1.00 0.00 N ATOM 184 CA SER A 11 6.983 5.862 -3.759 1.00 0.00 C ATOM 185 C SER A 11 6.448 7.286 -3.791 1.00 0.00 C ATOM 186 O SER A 11 6.181 7.835 -4.862 1.00 0.00 O ATOM 187 CB SER A 11 8.440 5.815 -4.213 1.00 0.00 C ATOM 188 OG SER A 11 9.267 6.605 -3.381 1.00 0.00 O ATOM 0 H SER A 11 6.579 4.899 -5.566 1.00 0.00 H new ATOM 0 HA SER A 11 6.926 5.495 -2.734 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.792 4.783 -4.204 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.513 6.168 -5.242 1.00 0.00 H new ATOM 0 HG SER A 11 9.670 7.326 -3.909 1.00 0.00 H new ATOM 194 N ARG A 12 6.273 7.871 -2.607 1.00 0.00 N ATOM 195 CA ARG A 12 5.669 9.198 -2.489 1.00 0.00 C ATOM 196 C ARG A 12 6.603 10.248 -3.096 1.00 0.00 C ATOM 197 O ARG A 12 6.192 11.068 -3.910 1.00 0.00 O ATOM 198 CB ARG A 12 5.375 9.483 -0.996 1.00 0.00 C ATOM 199 CG ARG A 12 4.321 10.558 -0.680 1.00 0.00 C ATOM 200 CD ARG A 12 4.690 11.942 -1.186 1.00 0.00 C ATOM 201 NE ARG A 12 4.120 12.224 -2.501 1.00 0.00 N ATOM 202 CZ ARG A 12 3.699 13.427 -2.887 1.00 0.00 C ATOM 203 NH1 ARG A 12 3.727 14.453 -2.045 1.00 0.00 N ATOM 204 NH2 ARG A 12 3.243 13.597 -4.119 1.00 0.00 N ATOM 0 H ARG A 12 6.540 7.449 -1.718 1.00 0.00 H new ATOM 0 HA ARG A 12 4.729 9.240 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.056 8.550 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.310 9.775 -0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.369 10.262 -1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.173 10.603 0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.343 12.691 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.775 12.030 -1.237 1.00 0.00 H new ATOM 0 HE ARG A 12 4.040 11.453 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.073 14.323 -1.094 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.403 15.371 -2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.216 12.809 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.919 14.516 -4.421 1.00 0.00 H new ATOM 218 N HIS A 13 7.860 10.202 -2.699 1.00 0.00 N ATOM 219 CA HIS A 13 8.878 11.084 -3.256 1.00 0.00 C ATOM 220 C HIS A 13 9.842 10.247 -4.114 1.00 0.00 C ATOM 221 O HIS A 13 9.662 9.033 -4.191 1.00 0.00 O ATOM 222 CB HIS A 13 9.621 11.806 -2.120 1.00 0.00 C ATOM 223 CG HIS A 13 8.794 12.833 -1.397 1.00 0.00 C ATOM 224 ND1 HIS A 13 7.643 13.450 -1.771 1.00 0.00 N flip ATOM 225 CD2 HIS A 13 9.158 13.290 -0.153 1.00 0.00 C flip ATOM 226 CE1 HIS A 13 7.294 14.296 -0.748 1.00 0.00 C flip ATOM 227 NE2 HIS A 13 8.232 14.165 0.199 1.00 0.00 N flip ATOM 0 H HIS A 13 8.207 9.559 -1.987 1.00 0.00 H new ATOM 0 HA HIS A 13 8.417 11.845 -3.886 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.970 11.065 -1.401 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.506 12.292 -2.531 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.024 12.994 0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.430 14.943 -0.713 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.232 14.677 1.081 1.00 0.00 H new ATOM 235 N PRO A 14 10.861 10.842 -4.782 1.00 0.00 N ATOM 236 CA PRO A 14 11.809 10.061 -5.595 1.00 0.00 C ATOM 237 C PRO A 14 12.510 8.963 -4.790 1.00 0.00 C ATOM 238 O PRO A 14 13.214 9.241 -3.818 1.00 0.00 O ATOM 239 CB PRO A 14 12.836 11.092 -6.088 1.00 0.00 C ATOM 240 CG PRO A 14 12.612 12.328 -5.255 1.00 0.00 C ATOM 241 CD PRO A 14 11.163 12.288 -4.833 1.00 0.00 C ATOM 0 HA PRO A 14 11.293 9.543 -6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.853 10.719 -5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.698 11.305 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.271 12.338 -4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.827 13.230 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.013 12.764 -3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.522 12.807 -5.546 1.00 0.00 H new ATOM 249 N ALA A 15 12.300 7.716 -5.200 1.00 0.00 N ATOM 250 CA ALA A 15 12.918 6.571 -4.551 1.00 0.00 C ATOM 251 C ALA A 15 14.424 6.580 -4.754 1.00 0.00 C ATOM 252 O ALA A 15 14.909 6.362 -5.866 1.00 0.00 O ATOM 253 CB ALA A 15 12.341 5.283 -5.108 1.00 0.00 C ATOM 0 H ALA A 15 11.699 7.474 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 15 12.709 6.634 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.810 4.431 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.266 5.259 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.532 5.233 -6.180 1.00 0.00 H new ATOM 259 N GLU A 16 15.161 6.814 -3.687 1.00 0.00 N ATOM 260 CA GLU A 16 16.607 6.849 -3.769 1.00 0.00 C ATOM 261 C GLU A 16 17.193 5.683 -2.973 1.00 0.00 C ATOM 262 O GLU A 16 16.880 5.508 -1.796 1.00 0.00 O ATOM 263 CB GLU A 16 17.128 8.201 -3.221 1.00 0.00 C ATOM 264 CG GLU A 16 18.255 8.870 -4.019 1.00 0.00 C ATOM 265 CD GLU A 16 19.371 9.427 -3.174 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.269 10.597 -2.750 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.378 8.717 -2.973 1.00 0.00 O ATOM 0 H GLU A 16 14.783 6.982 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 16 16.918 6.753 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.289 8.894 -3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.478 8.044 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.672 8.142 -4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.831 9.677 -4.617 1.00 0.00 H new ATOM 274 N ASN A 17 18.023 4.885 -3.626 1.00 0.00 N ATOM 275 CA ASN A 17 18.647 3.726 -2.988 1.00 0.00 C ATOM 276 C ASN A 17 19.790 4.173 -2.085 1.00 0.00 C ATOM 277 O ASN A 17 20.724 4.848 -2.522 1.00 0.00 O ATOM 278 CB ASN A 17 19.111 2.718 -4.060 1.00 0.00 C ATOM 279 CG ASN A 17 20.285 1.833 -3.647 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.432 1.452 -2.488 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.128 1.491 -4.612 1.00 0.00 N ATOM 0 H ASN A 17 18.284 5.016 -4.603 1.00 0.00 H new ATOM 0 HA ASN A 17 17.916 3.220 -2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.269 2.079 -4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.389 3.268 -4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.928 0.894 -4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.976 1.825 -5.564 1.00 0.00 H new ATOM 288 N GLY A 18 19.692 3.794 -0.818 1.00 0.00 N ATOM 289 CA GLY A 18 20.632 4.252 0.182 1.00 0.00 C ATOM 290 C GLY A 18 20.185 5.570 0.774 1.00 0.00 C ATOM 291 O GLY A 18 20.989 6.325 1.324 1.00 0.00 O ATOM 0 H GLY A 18 18.968 3.169 -0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.723 3.506 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.620 4.365 -0.265 1.00 0.00 H new ATOM 295 N LYS A 19 18.893 5.839 0.654 1.00 0.00 N ATOM 296 CA LYS A 19 18.327 7.108 1.075 1.00 0.00 C ATOM 297 C LYS A 19 17.034 6.883 1.831 1.00 0.00 C ATOM 298 O LYS A 19 16.321 5.910 1.587 1.00 0.00 O ATOM 299 CB LYS A 19 18.035 7.966 -0.151 1.00 0.00 C ATOM 300 CG LYS A 19 18.373 9.437 0.011 1.00 0.00 C ATOM 301 CD LYS A 19 19.880 9.668 0.029 1.00 0.00 C ATOM 302 CE LYS A 19 20.234 11.088 0.447 1.00 0.00 C ATOM 303 NZ LYS A 19 19.620 12.087 -0.463 1.00 0.00 N ATOM 0 H LYS A 19 18.213 5.187 0.264 1.00 0.00 H new ATOM 0 HA LYS A 19 19.043 7.610 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.595 7.569 -0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 19 16.977 7.875 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.927 10.005 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.936 9.812 0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.347 8.961 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.289 9.469 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.893 11.265 1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 19 21.317 11.210 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.206 12.946 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.557 11.690 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.666 12.326 -0.124 1.00 0.00 H new ATOM 317 N SER A 20 16.741 7.788 2.743 1.00 0.00 N ATOM 318 CA SER A 20 15.499 7.750 3.484 1.00 0.00 C ATOM 319 C SER A 20 14.364 8.291 2.620 1.00 0.00 C ATOM 320 O SER A 20 14.522 9.304 1.935 1.00 0.00 O ATOM 321 CB SER A 20 15.646 8.572 4.754 1.00 0.00 C ATOM 322 OG SER A 20 16.660 8.040 5.591 1.00 0.00 O ATOM 0 H SER A 20 17.354 8.565 2.989 1.00 0.00 H new ATOM 0 HA SER A 20 15.263 6.721 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.886 9.604 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.698 8.589 5.292 1.00 0.00 H new ATOM 0 HG SER A 20 16.736 8.587 6.400 1.00 0.00 H new ATOM 328 N ASN A 21 13.228 7.618 2.652 1.00 0.00 N ATOM 329 CA ASN A 21 12.138 7.927 1.737 1.00 0.00 C ATOM 330 C ASN A 21 10.801 7.486 2.339 1.00 0.00 C ATOM 331 O ASN A 21 10.774 6.870 3.404 1.00 0.00 O ATOM 332 CB ASN A 21 12.408 7.199 0.405 1.00 0.00 C ATOM 333 CG ASN A 21 11.561 7.699 -0.745 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.865 8.714 -1.362 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.510 6.966 -1.053 1.00 0.00 N ATOM 0 H ASN A 21 13.034 6.854 3.300 1.00 0.00 H new ATOM 0 HA ASN A 21 12.082 9.002 1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.461 7.313 0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.227 6.133 0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.911 7.236 -1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.296 6.129 -0.511 1.00 0.00 H new ATOM 342 N PHE A 22 9.693 7.787 1.658 1.00 0.00 N ATOM 343 CA PHE A 22 8.363 7.463 2.163 1.00 0.00 C ATOM 344 C PHE A 22 7.633 6.568 1.167 1.00 0.00 C ATOM 345 O PHE A 22 7.551 6.891 -0.021 1.00 0.00 O ATOM 346 CB PHE A 22 7.537 8.737 2.368 1.00 0.00 C ATOM 347 CG PHE A 22 7.932 9.576 3.549 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.110 10.307 3.549 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.101 9.650 4.652 1.00 0.00 C ATOM 350 CE1 PHE A 22 9.452 11.091 4.634 1.00 0.00 C ATOM 351 CE2 PHE A 22 7.438 10.431 5.738 1.00 0.00 C ATOM 352 CZ PHE A 22 8.614 11.154 5.730 1.00 0.00 C ATOM 0 H PHE A 22 9.694 8.256 0.752 1.00 0.00 H new ATOM 0 HA PHE A 22 8.480 6.949 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.612 9.348 1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.489 8.457 2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.767 10.263 2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.178 9.090 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.374 11.654 4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.782 10.477 6.595 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.878 11.767 6.579 1.00 0.00 H new ATOM 362 N LEU A 23 7.112 5.449 1.648 1.00 0.00 N ATOM 363 CA LEU A 23 6.330 4.544 0.810 1.00 0.00 C ATOM 364 C LEU A 23 4.886 5.011 0.801 1.00 0.00 C ATOM 365 O LEU A 23 4.468 5.755 1.689 1.00 0.00 O ATOM 366 CB LEU A 23 6.400 3.118 1.360 1.00 0.00 C ATOM 367 CG LEU A 23 6.691 1.983 0.349 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.632 0.631 1.050 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.719 1.988 -0.826 1.00 0.00 C ATOM 0 H LEU A 23 7.215 5.143 2.616 1.00 0.00 H new ATOM 0 HA LEU A 23 6.734 4.549 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.171 3.090 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.452 2.898 1.851 1.00 0.00 H new ATOM 0 HG LEU A 23 7.691 2.157 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.838 -0.161 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.376 0.601 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.639 0.485 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.966 1.173 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.702 1.857 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.794 2.938 -1.356 1.00 0.00 H new ATOM 381 N ASN A 24 4.136 4.598 -0.196 1.00 0.00 N ATOM 382 CA ASN A 24 2.728 4.941 -0.275 1.00 0.00 C ATOM 383 C ASN A 24 1.919 3.777 -0.832 1.00 0.00 C ATOM 384 O ASN A 24 2.247 3.225 -1.883 1.00 0.00 O ATOM 385 CB ASN A 24 2.538 6.195 -1.135 1.00 0.00 C ATOM 386 CG ASN A 24 1.084 6.544 -1.355 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.451 6.060 -2.290 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.550 7.402 -0.503 1.00 0.00 N ATOM 0 H ASN A 24 4.476 4.023 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 24 2.365 5.151 0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.040 7.036 -0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.020 6.043 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.424 7.686 -0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.112 7.780 0.260 1.00 0.00 H new ATOM 395 N CYS A 25 0.873 3.404 -0.115 1.00 0.00 N ATOM 396 CA CYS A 25 -0.018 2.344 -0.547 1.00 0.00 C ATOM 397 C CYS A 25 -1.458 2.849 -0.476 1.00 0.00 C ATOM 398 O CYS A 25 -1.939 3.250 0.589 1.00 0.00 O ATOM 399 CB CYS A 25 0.191 1.103 0.321 1.00 0.00 C ATOM 400 SG CYS A 25 -0.240 -0.467 -0.495 1.00 0.00 S ATOM 0 H CYS A 25 0.619 3.826 0.778 1.00 0.00 H new ATOM 0 HA CYS A 25 0.199 2.062 -1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.235 1.063 0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.406 1.203 1.227 1.00 0.00 H new ATOM 405 N TYR A 26 -2.127 2.842 -1.619 1.00 0.00 N ATOM 406 CA TYR A 26 -3.457 3.415 -1.750 1.00 0.00 C ATOM 407 C TYR A 26 -4.424 2.339 -2.198 1.00 0.00 C ATOM 408 O TYR A 26 -4.465 1.985 -3.377 1.00 0.00 O ATOM 409 CB TYR A 26 -3.463 4.544 -2.792 1.00 0.00 C ATOM 410 CG TYR A 26 -3.498 5.958 -2.239 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.661 6.494 -1.697 1.00 0.00 C ATOM 412 CD2 TYR A 26 -2.379 6.774 -2.308 1.00 0.00 C ATOM 413 CE1 TYR A 26 -4.700 7.798 -1.237 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.409 8.075 -1.843 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.572 8.583 -1.311 1.00 0.00 C ATOM 416 OH TYR A 26 -3.611 9.880 -0.854 1.00 0.00 O ATOM 0 H TYR A 26 -1.762 2.439 -2.482 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.755 3.820 -0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.575 4.441 -3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.327 4.407 -3.442 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.549 5.882 -1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.466 6.385 -2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.613 8.199 -0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.523 8.691 -1.897 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.733 10.297 -0.977 1.00 0.00 H new ATOM 426 N VAL A 27 -5.197 1.819 -1.269 1.00 0.00 N ATOM 427 CA VAL A 27 -6.174 0.806 -1.605 1.00 0.00 C ATOM 428 C VAL A 27 -7.558 1.440 -1.633 1.00 0.00 C ATOM 429 O VAL A 27 -8.043 1.936 -0.616 1.00 0.00 O ATOM 430 CB VAL A 27 -6.148 -0.372 -0.610 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.849 -1.573 -1.211 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.722 -0.733 -0.225 1.00 0.00 C ATOM 0 H VAL A 27 -5.169 2.078 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.926 0.403 -2.587 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.674 -0.066 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.826 -2.400 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.884 -1.316 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.342 -1.868 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.735 -1.566 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.165 -1.019 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.242 0.127 0.242 1.00 0.00 H new ATOM 442 N SER A 28 -8.174 1.450 -2.804 1.00 0.00 N ATOM 443 CA SER A 28 -9.444 2.128 -2.989 1.00 0.00 C ATOM 444 C SER A 28 -10.262 1.423 -4.064 1.00 0.00 C ATOM 445 O SER A 28 -9.823 0.415 -4.626 1.00 0.00 O ATOM 446 CB SER A 28 -9.205 3.591 -3.376 1.00 0.00 C ATOM 447 OG SER A 28 -10.409 4.341 -3.350 1.00 0.00 O ATOM 0 H SER A 28 -7.813 0.994 -3.642 1.00 0.00 H new ATOM 0 HA SER A 28 -10.001 2.100 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.483 4.036 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.768 3.637 -4.374 1.00 0.00 H new ATOM 0 HG SER A 28 -10.662 4.521 -2.421 1.00 0.00 H new ATOM 453 N GLY A 29 -11.451 1.950 -4.340 1.00 0.00 N ATOM 454 CA GLY A 29 -12.303 1.365 -5.346 1.00 0.00 C ATOM 455 C GLY A 29 -13.296 0.401 -4.750 1.00 0.00 C ATOM 456 O GLY A 29 -13.942 -0.340 -5.470 1.00 0.00 O ATOM 0 H GLY A 29 -11.836 2.775 -3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.836 2.155 -5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.691 0.846 -6.083 1.00 0.00 H new ATOM 460 N PHE A 30 -13.419 0.404 -3.431 1.00 0.00 N ATOM 461 CA PHE A 30 -14.194 -0.631 -2.757 1.00 0.00 C ATOM 462 C PHE A 30 -15.280 -0.075 -1.840 1.00 0.00 C ATOM 463 O PHE A 30 -15.489 1.137 -1.744 1.00 0.00 O ATOM 464 CB PHE A 30 -13.260 -1.513 -1.931 1.00 0.00 C ATOM 465 CG PHE A 30 -12.607 -0.771 -0.790 1.00 0.00 C ATOM 466 CD1 PHE A 30 -13.129 -0.833 0.493 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.478 0.002 -1.006 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.537 -0.141 1.534 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.882 0.693 0.030 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.414 0.623 1.302 1.00 0.00 C ATOM 0 H PHE A 30 -13.000 1.099 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.691 -1.203 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.823 -2.357 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.487 -1.923 -2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -14.009 -1.429 0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.058 0.065 -1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.955 -0.199 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.000 1.288 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.951 1.166 2.113 1.00 0.00 H new ATOM 480 N HIS A 31 -15.958 -1.009 -1.177 1.00 0.00 N ATOM 481 CA HIS A 31 -16.965 -0.719 -0.156 1.00 0.00 C ATOM 482 C HIS A 31 -17.148 -2.025 0.635 1.00 0.00 C ATOM 483 O HIS A 31 -16.995 -3.093 0.042 1.00 0.00 O ATOM 484 CB HIS A 31 -18.298 -0.220 -0.794 1.00 0.00 C ATOM 485 CG HIS A 31 -19.391 0.080 0.187 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.516 1.322 0.761 1.00 0.00 N ATOM 487 CD2 HIS A 31 -20.387 -0.720 0.643 1.00 0.00 C ATOM 488 CE1 HIS A 31 -20.575 1.253 1.548 1.00 0.00 C ATOM 489 NE2 HIS A 31 -21.135 0.036 1.509 1.00 0.00 N ATOM 0 H HIS A 31 -15.821 -2.007 -1.336 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.648 0.090 0.503 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.092 0.680 -1.374 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.655 -0.976 -1.494 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.558 -1.752 0.376 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -20.943 2.073 2.147 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -21.960 -0.270 2.025 1.00 0.00 H new ATOM 497 N PRO A 32 -17.445 -2.023 1.961 1.00 0.00 N ATOM 498 CA PRO A 32 -17.747 -0.831 2.778 1.00 0.00 C ATOM 499 C PRO A 32 -16.516 0.003 3.133 1.00 0.00 C ATOM 500 O PRO A 32 -15.432 -0.186 2.589 1.00 0.00 O ATOM 501 CB PRO A 32 -18.336 -1.437 4.051 1.00 0.00 C ATOM 502 CG PRO A 32 -17.661 -2.748 4.180 1.00 0.00 C ATOM 503 CD PRO A 32 -17.494 -3.253 2.777 1.00 0.00 C ATOM 0 HA PRO A 32 -18.400 -0.142 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.145 -0.804 4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.417 -1.552 3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -16.697 -2.646 4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.256 -3.439 4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.582 -3.840 2.670 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.324 -3.895 2.482 1.00 0.00 H new ATOM 511 N SER A 33 -16.719 0.916 4.074 1.00 0.00 N ATOM 512 CA SER A 33 -15.703 1.896 4.479 1.00 0.00 C ATOM 513 C SER A 33 -14.532 1.297 5.280 1.00 0.00 C ATOM 514 O SER A 33 -13.997 1.961 6.170 1.00 0.00 O ATOM 515 CB SER A 33 -16.371 3.003 5.309 1.00 0.00 C ATOM 516 OG SER A 33 -17.071 2.461 6.422 1.00 0.00 O ATOM 0 H SER A 33 -17.597 1.003 4.585 1.00 0.00 H new ATOM 0 HA SER A 33 -15.273 2.290 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.614 3.705 5.659 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.062 3.565 4.681 1.00 0.00 H new ATOM 0 HG SER A 33 -17.485 3.187 6.933 1.00 0.00 H new ATOM 522 N ASP A 34 -14.120 0.070 4.975 1.00 0.00 N ATOM 523 CA ASP A 34 -12.995 -0.530 5.693 1.00 0.00 C ATOM 524 C ASP A 34 -12.287 -1.613 4.875 1.00 0.00 C ATOM 525 O ASP A 34 -12.917 -2.422 4.187 1.00 0.00 O ATOM 526 CB ASP A 34 -13.454 -1.115 7.049 1.00 0.00 C ATOM 527 CG ASP A 34 -14.243 -2.406 6.911 1.00 0.00 C ATOM 528 OD1 ASP A 34 -15.449 -2.338 6.604 1.00 0.00 O ATOM 529 OD2 ASP A 34 -13.664 -3.494 7.130 1.00 0.00 O ATOM 0 H ASP A 34 -14.535 -0.519 4.253 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.279 0.273 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.579 -1.297 7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.066 -0.377 7.567 1.00 0.00 H new ATOM 534 N ILE A 35 -10.962 -1.576 4.942 1.00 0.00 N ATOM 535 CA ILE A 35 -10.106 -2.631 4.409 1.00 0.00 C ATOM 536 C ILE A 35 -8.823 -2.673 5.231 1.00 0.00 C ATOM 537 O ILE A 35 -8.451 -1.672 5.849 1.00 0.00 O ATOM 538 CB ILE A 35 -9.733 -2.424 2.917 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.210 -3.738 2.320 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.679 -1.333 2.768 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.307 -3.560 1.113 1.00 0.00 C ATOM 0 H ILE A 35 -10.446 -0.808 5.371 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.664 -3.565 4.473 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.629 -2.114 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.664 -4.282 3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.060 -4.358 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.434 -1.206 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.067 -0.395 3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.782 -1.617 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.982 -4.537 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.854 -3.046 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.435 -2.969 1.395 1.00 0.00 H new ATOM 553 N GLU A 36 -8.165 -3.818 5.264 1.00 0.00 N ATOM 554 CA GLU A 36 -6.898 -3.942 5.965 1.00 0.00 C ATOM 555 C GLU A 36 -5.792 -4.227 4.961 1.00 0.00 C ATOM 556 O GLU A 36 -5.861 -5.200 4.202 1.00 0.00 O ATOM 557 CB GLU A 36 -6.952 -5.072 6.990 1.00 0.00 C ATOM 558 CG GLU A 36 -5.857 -4.995 8.054 1.00 0.00 C ATOM 559 CD GLU A 36 -6.076 -3.859 9.030 1.00 0.00 C ATOM 560 OE1 GLU A 36 -6.264 -4.133 10.233 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.083 -2.689 8.601 1.00 0.00 O ATOM 0 H GLU A 36 -8.486 -4.675 4.814 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.698 -3.007 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.925 -5.057 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.873 -6.026 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.819 -5.937 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.890 -4.870 7.567 1.00 0.00 H new ATOM 568 N VAL A 37 -4.783 -3.380 4.956 1.00 0.00 N ATOM 569 CA VAL A 37 -3.658 -3.535 4.049 1.00 0.00 C ATOM 570 C VAL A 37 -2.347 -3.408 4.815 1.00 0.00 C ATOM 571 O VAL A 37 -2.199 -2.558 5.692 1.00 0.00 O ATOM 572 CB VAL A 37 -3.731 -2.550 2.840 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.777 -1.488 3.092 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.379 -1.906 2.506 1.00 0.00 C ATOM 0 H VAL A 37 -4.717 -2.571 5.574 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.706 -4.536 3.619 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.015 -3.141 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.817 -0.808 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.750 -1.960 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.519 -0.929 3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.497 -1.232 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.021 -1.344 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.658 -2.684 2.255 1.00 0.00 H new ATOM 584 N ASP A 38 -1.424 -4.285 4.488 1.00 0.00 N ATOM 585 CA ASP A 38 -0.158 -4.369 5.192 1.00 0.00 C ATOM 586 C ASP A 38 0.990 -4.347 4.198 1.00 0.00 C ATOM 587 O ASP A 38 0.877 -4.869 3.094 1.00 0.00 O ATOM 588 CB ASP A 38 -0.139 -5.619 6.097 1.00 0.00 C ATOM 589 CG ASP A 38 0.852 -6.693 5.694 1.00 0.00 C ATOM 590 OD1 ASP A 38 0.404 -7.760 5.219 1.00 0.00 O ATOM 591 OD2 ASP A 38 2.061 -6.505 5.904 1.00 0.00 O ATOM 0 H ASP A 38 -1.527 -4.959 3.730 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.036 -3.503 5.842 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.084 -5.306 7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.138 -6.055 6.108 1.00 0.00 H new ATOM 596 N LEU A 39 2.078 -3.704 4.578 1.00 0.00 N ATOM 597 CA LEU A 39 3.206 -3.532 3.682 1.00 0.00 C ATOM 598 C LEU A 39 4.235 -4.618 3.951 1.00 0.00 C ATOM 599 O LEU A 39 4.480 -4.967 5.097 1.00 0.00 O ATOM 600 CB LEU A 39 3.844 -2.154 3.872 1.00 0.00 C ATOM 601 CG LEU A 39 2.895 -0.955 3.827 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.682 0.336 3.989 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.091 -0.928 2.540 1.00 0.00 C ATOM 0 H LEU A 39 2.205 -3.292 5.502 1.00 0.00 H new ATOM 0 HA LEU A 39 2.852 -3.607 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.360 -2.146 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.602 -2.019 3.101 1.00 0.00 H new ATOM 0 HG LEU A 39 2.190 -1.051 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.999 1.185 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.203 0.327 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.409 0.423 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.428 -0.063 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.769 -0.863 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.498 -1.839 2.462 1.00 0.00 H new ATOM 615 N LEU A 40 4.829 -5.146 2.900 1.00 0.00 N ATOM 616 CA LEU A 40 5.745 -6.267 3.022 1.00 0.00 C ATOM 617 C LEU A 40 7.170 -5.922 2.628 1.00 0.00 C ATOM 618 O LEU A 40 7.476 -4.824 2.169 1.00 0.00 O ATOM 619 CB LEU A 40 5.295 -7.438 2.163 1.00 0.00 C ATOM 620 CG LEU A 40 3.821 -7.806 2.248 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.508 -8.885 1.230 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.466 -8.271 3.650 1.00 0.00 C ATOM 0 H LEU A 40 4.694 -4.815 1.945 1.00 0.00 H new ATOM 0 HA LEU A 40 5.731 -6.533 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.532 -7.211 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.883 -8.313 2.441 1.00 0.00 H new ATOM 0 HG LEU A 40 3.220 -6.924 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.452 -9.148 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.732 -8.517 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.114 -9.767 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.408 -8.530 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.063 -9.146 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.672 -7.471 4.362 1.00 0.00 H new ATOM 634 N LYS A 41 8.010 -6.933 2.793 1.00 0.00 N ATOM 635 CA LYS A 41 9.417 -6.885 2.450 1.00 0.00 C ATOM 636 C LYS A 41 9.852 -8.256 1.988 1.00 0.00 C ATOM 637 O LYS A 41 10.062 -9.158 2.799 1.00 0.00 O ATOM 638 CB LYS A 41 10.274 -6.451 3.618 1.00 0.00 C ATOM 639 CG LYS A 41 9.863 -5.093 4.176 1.00 0.00 C ATOM 640 CD LYS A 41 10.871 -4.565 5.214 1.00 0.00 C ATOM 641 CE LYS A 41 10.815 -3.051 5.325 1.00 0.00 C ATOM 642 NZ LYS A 41 11.951 -2.508 6.118 1.00 0.00 N ATOM 0 H LYS A 41 7.721 -7.831 3.180 1.00 0.00 H new ATOM 0 HA LYS A 41 9.548 -6.148 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.209 -7.199 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.317 -6.409 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.776 -4.377 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.878 -5.173 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.660 -5.010 6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.878 -4.873 4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.828 -2.614 4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.874 -2.756 5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.875 -1.472 6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.925 -2.905 7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.849 -2.767 5.661 1.00 0.00 H new ATOM 656 N ASN A 42 9.917 -8.407 0.676 1.00 0.00 N ATOM 657 CA ASN A 42 10.233 -9.688 0.015 1.00 0.00 C ATOM 658 C ASN A 42 9.158 -10.752 0.270 1.00 0.00 C ATOM 659 O ASN A 42 9.100 -11.766 -0.424 1.00 0.00 O ATOM 660 CB ASN A 42 11.615 -10.215 0.436 1.00 0.00 C ATOM 661 CG ASN A 42 12.755 -9.454 -0.215 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.182 -9.780 -1.322 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.276 -8.451 0.473 1.00 0.00 N ATOM 0 H ASN A 42 9.752 -7.642 0.021 1.00 0.00 H new ATOM 0 HA ASN A 42 10.253 -9.485 -1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.710 -10.147 1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.692 -11.270 0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.057 -7.920 0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.896 -8.209 1.388 1.00 0.00 H new ATOM 670 N GLY A 43 8.311 -10.504 1.257 1.00 0.00 N ATOM 671 CA GLY A 43 7.228 -11.411 1.579 1.00 0.00 C ATOM 672 C GLY A 43 6.740 -11.232 2.999 1.00 0.00 C ATOM 673 O GLY A 43 5.695 -11.755 3.378 1.00 0.00 O ATOM 0 H GLY A 43 8.356 -9.676 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.401 -11.247 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.562 -12.439 1.438 1.00 0.00 H new ATOM 677 N GLU A 44 7.481 -10.455 3.767 1.00 0.00 N ATOM 678 CA GLU A 44 7.272 -10.359 5.197 1.00 0.00 C ATOM 679 C GLU A 44 6.680 -9.018 5.596 1.00 0.00 C ATOM 680 O GLU A 44 7.042 -7.985 5.048 1.00 0.00 O ATOM 681 CB GLU A 44 8.616 -10.564 5.854 1.00 0.00 C ATOM 682 CG GLU A 44 9.281 -11.836 5.394 1.00 0.00 C ATOM 683 CD GLU A 44 8.577 -13.075 5.909 1.00 0.00 C ATOM 684 OE1 GLU A 44 8.795 -13.441 7.083 1.00 0.00 O ATOM 685 OE2 GLU A 44 7.797 -13.682 5.154 1.00 0.00 O ATOM 0 H GLU A 44 8.243 -9.874 3.417 1.00 0.00 H new ATOM 0 HA GLU A 44 6.556 -11.115 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.262 -9.715 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.490 -10.592 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.301 -11.859 4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.317 -11.844 5.732 1.00 0.00 H new ATOM 692 N ARG A 45 5.785 -9.058 6.568 1.00 0.00 N ATOM 693 CA ARG A 45 5.054 -7.885 7.019 1.00 0.00 C ATOM 694 C ARG A 45 5.968 -6.832 7.642 1.00 0.00 C ATOM 695 O ARG A 45 6.884 -7.156 8.400 1.00 0.00 O ATOM 696 CB ARG A 45 4.005 -8.333 8.033 1.00 0.00 C ATOM 697 CG ARG A 45 3.184 -7.232 8.638 1.00 0.00 C ATOM 698 CD ARG A 45 1.920 -7.848 9.235 1.00 0.00 C ATOM 699 NE ARG A 45 1.286 -8.756 8.280 1.00 0.00 N ATOM 700 CZ ARG A 45 0.722 -9.915 8.605 1.00 0.00 C ATOM 701 NH1 ARG A 45 0.694 -10.319 9.871 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.186 -10.675 7.659 1.00 0.00 N ATOM 0 H ARG A 45 5.543 -9.912 7.071 1.00 0.00 H new ATOM 0 HA ARG A 45 4.584 -7.418 6.153 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.332 -9.040 7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.507 -8.872 8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.754 -6.713 9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.925 -6.492 7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.169 -8.389 10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.221 -7.059 9.513 1.00 0.00 H new ATOM 0 HE ARG A 45 1.276 -8.481 7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.107 -9.738 10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.259 -11.210 10.113 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.208 -10.369 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.248 -11.565 7.905 1.00 0.00 H new ATOM 716 N ILE A 46 5.703 -5.574 7.314 1.00 0.00 N ATOM 717 CA ILE A 46 6.373 -4.446 7.929 1.00 0.00 C ATOM 718 C ILE A 46 5.539 -3.987 9.106 1.00 0.00 C ATOM 719 O ILE A 46 4.316 -3.867 9.007 1.00 0.00 O ATOM 720 CB ILE A 46 6.537 -3.253 6.966 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.307 -3.641 5.708 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.257 -2.109 7.673 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.266 -2.559 4.646 1.00 0.00 C ATOM 0 H ILE A 46 5.013 -5.311 6.610 1.00 0.00 H new ATOM 0 HA ILE A 46 7.369 -4.774 8.227 1.00 0.00 H new ATOM 0 HB ILE A 46 5.539 -2.934 6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.344 -3.849 5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.890 -4.562 5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.369 -1.270 6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.676 -1.794 8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.241 -2.445 7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.829 -2.886 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.231 -2.368 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.708 -1.644 5.041 1.00 0.00 H new ATOM 735 N GLU A 47 6.182 -3.727 10.215 1.00 0.00 N ATOM 736 CA GLU A 47 5.458 -3.421 11.433 1.00 0.00 C ATOM 737 C GLU A 47 5.381 -1.915 11.727 1.00 0.00 C ATOM 738 O GLU A 47 4.371 -1.456 12.258 1.00 0.00 O ATOM 739 CB GLU A 47 6.015 -4.212 12.634 1.00 0.00 C ATOM 740 CG GLU A 47 7.531 -4.386 12.674 1.00 0.00 C ATOM 741 CD GLU A 47 8.073 -5.367 11.651 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.557 -4.919 10.588 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.045 -6.587 11.915 1.00 0.00 O ATOM 0 H GLU A 47 7.198 -3.720 10.306 1.00 0.00 H new ATOM 0 HA GLU A 47 4.431 -3.746 11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.702 -3.711 13.550 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.555 -5.200 12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.001 -3.416 12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.821 -4.720 13.670 1.00 0.00 H new ATOM 750 N LYS A 48 6.425 -1.138 11.398 1.00 0.00 N ATOM 751 CA LYS A 48 6.381 0.317 11.573 1.00 0.00 C ATOM 752 C LYS A 48 5.452 1.023 10.582 1.00 0.00 C ATOM 753 O LYS A 48 5.419 2.253 10.535 1.00 0.00 O ATOM 754 CB LYS A 48 7.786 0.883 11.445 1.00 0.00 C ATOM 755 CG LYS A 48 8.783 0.176 12.337 1.00 0.00 C ATOM 756 CD LYS A 48 8.782 0.706 13.768 1.00 0.00 C ATOM 757 CE LYS A 48 7.489 0.370 14.500 1.00 0.00 C ATOM 758 NZ LYS A 48 7.566 0.661 15.955 1.00 0.00 N ATOM 0 H LYS A 48 7.301 -1.491 11.013 1.00 0.00 H new ATOM 0 HA LYS A 48 5.975 0.503 12.567 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.112 0.804 10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.770 1.944 11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.558 -0.891 12.350 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.782 0.286 11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.627 0.283 14.312 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.920 1.787 13.754 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.669 0.939 14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.257 -0.685 14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.662 0.415 16.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.330 0.099 16.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.760 1.673 16.097 1.00 0.00 H new ATOM 772 N VAL A 49 4.726 0.256 9.783 1.00 0.00 N ATOM 773 CA VAL A 49 3.715 0.818 8.899 1.00 0.00 C ATOM 774 C VAL A 49 2.666 1.578 9.699 1.00 0.00 C ATOM 775 O VAL A 49 2.203 1.104 10.738 1.00 0.00 O ATOM 776 CB VAL A 49 3.004 -0.278 8.091 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.930 0.326 7.198 1.00 0.00 C ATOM 778 CG2 VAL A 49 4.005 -1.062 7.268 1.00 0.00 C ATOM 0 H VAL A 49 4.818 -0.758 9.728 1.00 0.00 H new ATOM 0 HA VAL A 49 4.230 1.494 8.216 1.00 0.00 H new ATOM 0 HB VAL A 49 2.521 -0.962 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.438 -0.466 6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.194 0.844 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.387 1.033 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.485 -1.834 6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.516 -0.389 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.735 -1.527 7.930 1.00 0.00 H new ATOM 788 N GLU A 50 2.289 2.749 9.213 1.00 0.00 N ATOM 789 CA GLU A 50 1.279 3.546 9.872 1.00 0.00 C ATOM 790 C GLU A 50 0.253 4.046 8.864 1.00 0.00 C ATOM 791 O GLU A 50 0.576 4.333 7.709 1.00 0.00 O ATOM 792 CB GLU A 50 1.905 4.729 10.613 1.00 0.00 C ATOM 793 CG GLU A 50 2.919 4.333 11.675 1.00 0.00 C ATOM 794 CD GLU A 50 3.444 5.526 12.439 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.679 5.682 12.546 1.00 0.00 O ATOM 796 OE2 GLU A 50 2.620 6.322 12.944 1.00 0.00 O ATOM 0 H GLU A 50 2.670 3.165 8.363 1.00 0.00 H new ATOM 0 HA GLU A 50 0.778 2.911 10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.391 5.381 9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.111 5.310 11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.458 3.633 12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.752 3.812 11.203 1.00 0.00 H new ATOM 803 N HIS A 51 -0.981 4.126 9.317 1.00 0.00 N ATOM 804 CA HIS A 51 -2.080 4.632 8.506 1.00 0.00 C ATOM 805 C HIS A 51 -2.588 5.962 9.054 1.00 0.00 C ATOM 806 O HIS A 51 -2.843 6.100 10.254 1.00 0.00 O ATOM 807 CB HIS A 51 -3.225 3.614 8.425 1.00 0.00 C ATOM 808 CG HIS A 51 -3.678 3.063 9.750 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.061 2.187 10.583 1.00 0.00 N flip ATOM 810 CD2 HIS A 51 -4.897 3.402 10.286 1.00 0.00 C flip ATOM 811 CE1 HIS A 51 -3.906 1.980 11.642 1.00 0.00 C flip ATOM 812 NE2 HIS A 51 -4.993 2.730 11.420 1.00 0.00 N flip ATOM 0 H HIS A 51 -1.255 3.843 10.258 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.700 4.795 7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.076 4.085 7.934 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.910 2.785 7.792 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.627 4.079 9.867 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.729 1.337 12.491 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.795 2.777 12.048 1.00 0.00 H new ATOM 820 N SER A 52 -2.726 6.941 8.168 1.00 0.00 N ATOM 821 CA SER A 52 -3.211 8.261 8.553 1.00 0.00 C ATOM 822 C SER A 52 -4.736 8.239 8.644 1.00 0.00 C ATOM 823 O SER A 52 -5.361 7.236 8.294 1.00 0.00 O ATOM 824 CB SER A 52 -2.738 9.314 7.542 1.00 0.00 C ATOM 825 OG SER A 52 -2.956 10.636 8.013 1.00 0.00 O ATOM 0 H SER A 52 -2.508 6.845 7.176 1.00 0.00 H new ATOM 0 HA SER A 52 -2.807 8.525 9.530 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.677 9.171 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.265 9.173 6.598 1.00 0.00 H new ATOM 0 HG SER A 52 -2.641 11.278 7.343 1.00 0.00 H new ATOM 831 N ASP A 53 -5.325 9.334 9.120 1.00 0.00 N ATOM 832 CA ASP A 53 -6.772 9.417 9.308 1.00 0.00 C ATOM 833 C ASP A 53 -7.525 9.076 8.024 1.00 0.00 C ATOM 834 O ASP A 53 -7.293 9.705 6.992 1.00 0.00 O ATOM 835 CB ASP A 53 -7.175 10.809 9.795 1.00 0.00 C ATOM 836 CG ASP A 53 -8.668 10.922 9.999 1.00 0.00 C ATOM 837 OD1 ASP A 53 -9.315 11.708 9.277 1.00 0.00 O ATOM 838 OD2 ASP A 53 -9.207 10.203 10.868 1.00 0.00 O ATOM 0 H ASP A 53 -4.820 10.180 9.384 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.044 8.683 10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.663 11.029 10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.850 11.556 9.071 1.00 0.00 H new ATOM 843 N LEU A 54 -8.431 8.093 8.154 1.00 0.00 N ATOM 844 CA LEU A 54 -9.186 7.464 7.046 1.00 0.00 C ATOM 845 C LEU A 54 -9.299 8.351 5.797 1.00 0.00 C ATOM 846 O LEU A 54 -8.352 8.439 5.009 1.00 0.00 O ATOM 847 CB LEU A 54 -10.593 7.059 7.542 1.00 0.00 C ATOM 848 CG LEU A 54 -11.217 5.804 6.906 1.00 0.00 C ATOM 849 CD1 LEU A 54 -11.608 6.038 5.456 1.00 0.00 C ATOM 850 CD2 LEU A 54 -10.262 4.627 7.010 1.00 0.00 C ATOM 0 H LEU A 54 -8.670 7.697 9.063 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.622 6.583 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.542 6.904 8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.268 7.898 7.372 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.128 5.576 7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.044 5.127 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.337 6.846 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.723 6.308 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.718 3.747 6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.334 4.864 6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.048 4.424 8.059 1.00 0.00 H new ATOM 862 N SER A 55 -10.462 8.978 5.614 1.00 0.00 N ATOM 863 CA SER A 55 -10.716 9.846 4.466 1.00 0.00 C ATOM 864 C SER A 55 -12.196 10.207 4.416 1.00 0.00 C ATOM 865 O SER A 55 -12.975 9.815 5.286 1.00 0.00 O ATOM 866 CB SER A 55 -10.319 9.159 3.152 1.00 0.00 C ATOM 867 OG SER A 55 -10.191 10.095 2.092 1.00 0.00 O ATOM 0 H SER A 55 -11.251 8.898 6.256 1.00 0.00 H new ATOM 0 HA SER A 55 -10.113 10.747 4.582 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.375 8.630 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.068 8.412 2.890 1.00 0.00 H new ATOM 0 HG SER A 55 -10.700 9.781 1.315 1.00 0.00 H new ATOM 873 N PHE A 56 -12.567 10.956 3.394 1.00 0.00 N ATOM 874 CA PHE A 56 -13.959 11.249 3.115 1.00 0.00 C ATOM 875 C PHE A 56 -14.257 10.942 1.653 1.00 0.00 C ATOM 876 O PHE A 56 -13.526 11.366 0.757 1.00 0.00 O ATOM 877 CB PHE A 56 -14.298 12.707 3.457 1.00 0.00 C ATOM 878 CG PHE A 56 -13.433 13.734 2.777 1.00 0.00 C ATOM 879 CD1 PHE A 56 -13.868 14.369 1.624 1.00 0.00 C ATOM 880 CD2 PHE A 56 -12.187 14.066 3.292 1.00 0.00 C ATOM 881 CE1 PHE A 56 -13.079 15.315 0.998 1.00 0.00 C ATOM 882 CE2 PHE A 56 -11.395 15.010 2.668 1.00 0.00 C ATOM 883 CZ PHE A 56 -11.841 15.635 1.520 1.00 0.00 C ATOM 0 H PHE A 56 -11.912 11.377 2.735 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.587 10.618 3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -15.338 12.895 3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -14.216 12.841 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -14.834 14.122 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.833 13.581 4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -13.430 15.804 0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.427 15.259 3.078 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.222 16.373 1.031 1.00 0.00 H new ATOM 893 N SER A 57 -15.308 10.171 1.422 1.00 0.00 N ATOM 894 CA SER A 57 -15.678 9.768 0.077 1.00 0.00 C ATOM 895 C SER A 57 -16.095 10.976 -0.752 1.00 0.00 C ATOM 896 O SER A 57 -16.925 11.784 -0.327 1.00 0.00 O ATOM 897 CB SER A 57 -16.818 8.747 0.132 1.00 0.00 C ATOM 898 OG SER A 57 -17.160 8.285 -1.167 1.00 0.00 O ATOM 0 H SER A 57 -15.921 9.811 2.153 1.00 0.00 H new ATOM 0 HA SER A 57 -14.811 9.309 -0.398 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.523 7.902 0.755 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.692 9.199 0.601 1.00 0.00 H new ATOM 0 HG SER A 57 -16.359 8.275 -1.732 1.00 0.00 H new ATOM 904 N LYS A 58 -15.496 11.097 -1.928 1.00 0.00 N ATOM 905 CA LYS A 58 -15.850 12.155 -2.858 1.00 0.00 C ATOM 906 C LYS A 58 -17.010 11.715 -3.747 1.00 0.00 C ATOM 907 O LYS A 58 -18.162 12.075 -3.506 1.00 0.00 O ATOM 908 CB LYS A 58 -14.632 12.547 -3.704 1.00 0.00 C ATOM 909 CG LYS A 58 -14.935 13.588 -4.766 1.00 0.00 C ATOM 910 CD LYS A 58 -13.679 14.018 -5.508 1.00 0.00 C ATOM 911 CE LYS A 58 -14.006 14.897 -6.709 1.00 0.00 C ATOM 912 NZ LYS A 58 -14.925 16.011 -6.359 1.00 0.00 N ATOM 0 H LYS A 58 -14.761 10.473 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.169 13.029 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.852 12.929 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.234 11.654 -4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.657 13.184 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.398 14.458 -4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.023 14.561 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.133 13.135 -5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.083 15.306 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.459 14.287 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.998 16.666 -7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.866 15.628 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.555 16.519 -5.531 1.00 0.00 H new ATOM 926 N ASP A 59 -16.709 10.923 -4.765 1.00 0.00 N ATOM 927 CA ASP A 59 -17.740 10.450 -5.675 1.00 0.00 C ATOM 928 C ASP A 59 -17.551 8.984 -6.006 1.00 0.00 C ATOM 929 O ASP A 59 -18.432 8.161 -5.760 1.00 0.00 O ATOM 930 CB ASP A 59 -17.751 11.270 -6.964 1.00 0.00 C ATOM 931 CG ASP A 59 -18.823 10.800 -7.931 1.00 0.00 C ATOM 932 OD1 ASP A 59 -19.976 11.267 -7.816 1.00 0.00 O ATOM 933 OD2 ASP A 59 -18.515 9.965 -8.811 1.00 0.00 O ATOM 0 H ASP A 59 -15.767 10.597 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.698 10.573 -5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -17.916 12.320 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.775 11.202 -7.445 1.00 0.00 H new ATOM 938 N TRP A 60 -16.389 8.663 -6.553 1.00 0.00 N ATOM 939 CA TRP A 60 -16.141 7.331 -7.068 1.00 0.00 C ATOM 940 C TRP A 60 -15.888 6.352 -5.932 1.00 0.00 C ATOM 941 O TRP A 60 -16.224 5.168 -6.039 1.00 0.00 O ATOM 942 CB TRP A 60 -14.956 7.347 -8.036 1.00 0.00 C ATOM 943 CG TRP A 60 -14.818 6.090 -8.843 1.00 0.00 C ATOM 944 CD1 TRP A 60 -13.831 5.147 -8.745 1.00 0.00 C ATOM 945 CD2 TRP A 60 -15.704 5.638 -9.871 1.00 0.00 C ATOM 946 NE1 TRP A 60 -14.049 4.143 -9.658 1.00 0.00 N ATOM 947 CE2 TRP A 60 -15.193 4.421 -10.360 1.00 0.00 C ATOM 948 CE3 TRP A 60 -16.878 6.149 -10.427 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -15.817 3.706 -11.377 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -17.502 5.442 -11.437 1.00 0.00 C ATOM 951 CH2 TRP A 60 -16.967 4.225 -11.906 1.00 0.00 C ATOM 0 H TRP A 60 -15.605 9.308 -6.650 1.00 0.00 H new ATOM 0 HA TRP A 60 -17.028 7.002 -7.609 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -15.064 8.193 -8.714 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -14.038 7.507 -7.470 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -13.003 5.186 -8.053 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -13.456 3.324 -9.791 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -17.292 7.082 -10.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -15.408 2.773 -11.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -18.412 5.827 -11.873 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -17.474 3.693 -12.697 1.00 0.00 H new ATOM 962 N SER A 61 -15.301 6.849 -4.848 1.00 0.00 N ATOM 963 CA SER A 61 -14.983 6.010 -3.706 1.00 0.00 C ATOM 964 C SER A 61 -14.344 6.834 -2.594 1.00 0.00 C ATOM 965 O SER A 61 -14.412 8.066 -2.589 1.00 0.00 O ATOM 966 CB SER A 61 -14.032 4.886 -4.145 1.00 0.00 C ATOM 967 OG SER A 61 -13.989 3.830 -3.194 1.00 0.00 O ATOM 0 H SER A 61 -15.037 7.828 -4.740 1.00 0.00 H new ATOM 0 HA SER A 61 -15.905 5.575 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.354 4.494 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.030 5.291 -4.284 1.00 0.00 H new ATOM 0 HG SER A 61 -13.806 2.984 -3.653 1.00 0.00 H new ATOM 973 N PHE A 62 -13.755 6.129 -1.646 1.00 0.00 N ATOM 974 CA PHE A 62 -13.041 6.721 -0.529 1.00 0.00 C ATOM 975 C PHE A 62 -11.693 6.038 -0.406 1.00 0.00 C ATOM 976 O PHE A 62 -11.483 4.976 -0.996 1.00 0.00 O ATOM 977 CB PHE A 62 -13.848 6.570 0.762 1.00 0.00 C ATOM 978 CG PHE A 62 -14.633 5.292 0.828 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.999 5.301 0.597 1.00 0.00 C ATOM 980 CD2 PHE A 62 -14.012 4.086 1.117 1.00 0.00 C ATOM 981 CE1 PHE A 62 -16.734 4.133 0.655 1.00 0.00 C ATOM 982 CE2 PHE A 62 -14.741 2.915 1.175 1.00 0.00 C ATOM 983 CZ PHE A 62 -16.104 2.938 0.945 1.00 0.00 C ATOM 0 H PHE A 62 -13.759 5.109 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.896 7.787 -0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.169 6.615 1.614 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -14.532 7.413 0.855 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.495 6.233 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.948 4.063 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.799 4.154 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -14.247 1.981 1.400 1.00 0.00 H new ATOM 0 HZ PHE A 62 -16.676 2.023 0.992 1.00 0.00 H new ATOM 993 N TYR A 63 -10.778 6.624 0.344 1.00 0.00 N ATOM 994 CA TYR A 63 -9.413 6.135 0.344 1.00 0.00 C ATOM 995 C TYR A 63 -8.951 5.758 1.743 1.00 0.00 C ATOM 996 O TYR A 63 -9.381 6.345 2.734 1.00 0.00 O ATOM 997 CB TYR A 63 -8.479 7.208 -0.233 1.00 0.00 C ATOM 998 CG TYR A 63 -9.074 7.987 -1.391 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.224 7.413 -2.651 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.485 9.303 -1.219 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -9.768 8.133 -3.701 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.029 10.025 -2.262 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.166 9.436 -3.498 1.00 0.00 C ATOM 1004 OH TYR A 63 -10.701 10.155 -4.541 1.00 0.00 O ATOM 0 H TYR A 63 -10.951 7.425 0.951 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.380 5.238 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.210 7.905 0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.557 6.732 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.912 6.392 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.377 9.770 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.880 7.676 -4.673 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.345 11.046 -2.109 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.932 11.056 -4.233 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.093 4.757 1.809 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.368 4.447 3.026 1.00 0.00 C ATOM 1016 C LEU A 64 -5.899 4.246 2.679 1.00 0.00 C ATOM 1017 O LEU A 64 -5.562 3.519 1.741 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.003 3.231 3.733 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.155 2.529 4.792 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.024 2.135 5.969 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.495 1.302 4.195 1.00 0.00 C ATOM 0 H LEU A 64 -7.880 4.140 1.025 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.430 5.271 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.931 3.558 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.272 2.498 2.972 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.379 3.212 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.413 1.635 6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.475 3.027 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.809 1.459 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.892 0.807 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.261 0.615 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.856 1.601 3.364 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.029 4.913 3.427 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.616 4.978 3.087 1.00 0.00 C ATOM 1035 C LEU A 65 -2.782 4.226 4.119 1.00 0.00 C ATOM 1036 O LEU A 65 -2.987 4.374 5.322 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.168 6.443 3.044 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.129 6.831 1.977 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.893 8.337 2.009 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.806 6.095 2.169 1.00 0.00 C ATOM 0 H LEU A 65 -5.280 5.418 4.277 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.470 4.515 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.053 7.062 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.760 6.700 4.022 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.529 6.538 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.157 8.606 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.829 8.856 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.524 8.627 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.104 6.400 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.393 6.338 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.975 5.020 2.103 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.839 3.441 3.636 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.899 2.731 4.497 1.00 0.00 C ATOM 1054 C TYR A 66 0.523 2.982 4.016 1.00 0.00 C ATOM 1055 O TYR A 66 0.877 2.621 2.896 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.204 1.231 4.513 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.108 0.770 5.641 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.588 0.503 6.902 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.466 0.560 5.440 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.395 0.045 7.926 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.275 0.106 6.460 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.734 -0.154 7.698 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.536 -0.606 8.718 1.00 0.00 O ATOM 0 H TYR A 66 -1.699 3.274 2.640 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.002 3.105 5.516 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.666 0.960 3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.263 0.685 4.576 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.535 0.656 7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.896 0.756 4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.975 -0.155 8.900 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.330 -0.045 6.288 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.883 -1.494 8.492 1.00 0.00 H new ATOM 1073 N TYR A 67 1.332 3.624 4.850 1.00 0.00 N ATOM 1074 CA TYR A 67 2.681 4.003 4.448 1.00 0.00 C ATOM 1075 C TYR A 67 3.704 3.660 5.524 1.00 0.00 C ATOM 1076 O TYR A 67 3.352 3.405 6.675 1.00 0.00 O ATOM 1077 CB TYR A 67 2.738 5.506 4.113 1.00 0.00 C ATOM 1078 CG TYR A 67 2.347 6.430 5.253 1.00 0.00 C ATOM 1079 CD1 TYR A 67 1.033 6.855 5.405 1.00 0.00 C ATOM 1080 CD2 TYR A 67 3.292 6.891 6.165 1.00 0.00 C ATOM 1081 CE1 TYR A 67 0.670 7.706 6.431 1.00 0.00 C ATOM 1082 CE2 TYR A 67 2.935 7.741 7.195 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.623 8.145 7.322 1.00 0.00 C ATOM 1084 OH TYR A 67 1.258 8.985 8.349 1.00 0.00 O ATOM 0 H TYR A 67 1.080 3.891 5.802 1.00 0.00 H new ATOM 0 HA TYR A 67 2.934 3.431 3.556 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.750 5.754 3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.080 5.700 3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.282 6.514 4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.321 6.579 6.066 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.357 8.025 6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.680 8.087 7.896 1.00 0.00 H new ATOM 0 HH TYR A 67 2.046 9.202 8.890 1.00 0.00 H new ATOM 1094 N THR A 68 4.973 3.645 5.132 1.00 0.00 N ATOM 1095 CA THR A 68 6.064 3.399 6.061 1.00 0.00 C ATOM 1096 C THR A 68 7.300 4.176 5.622 1.00 0.00 C ATOM 1097 O THR A 68 7.506 4.409 4.425 1.00 0.00 O ATOM 1098 CB THR A 68 6.406 1.886 6.174 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.367 1.665 7.214 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.949 1.325 4.860 1.00 0.00 C ATOM 0 H THR A 68 5.271 3.802 4.169 1.00 0.00 H new ATOM 0 HA THR A 68 5.741 3.738 7.045 1.00 0.00 H new ATOM 0 HB THR A 68 5.478 1.366 6.412 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.915 0.883 6.992 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.175 0.266 4.982 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.202 1.448 4.076 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.857 1.860 4.584 1.00 0.00 H new ATOM 1108 N GLU A 69 8.093 4.604 6.594 1.00 0.00 N ATOM 1109 CA GLU A 69 9.350 5.275 6.316 1.00 0.00 C ATOM 1110 C GLU A 69 10.435 4.214 6.186 1.00 0.00 C ATOM 1111 O GLU A 69 10.564 3.343 7.047 1.00 0.00 O ATOM 1112 CB GLU A 69 9.661 6.280 7.442 1.00 0.00 C ATOM 1113 CG GLU A 69 10.833 7.218 7.172 1.00 0.00 C ATOM 1114 CD GLU A 69 12.168 6.644 7.591 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.413 6.549 8.814 1.00 0.00 O ATOM 1116 OE2 GLU A 69 12.989 6.322 6.709 1.00 0.00 O ATOM 0 H GLU A 69 7.884 4.497 7.587 1.00 0.00 H new ATOM 0 HA GLU A 69 9.296 5.839 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.771 6.881 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.865 5.724 8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.864 7.452 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.667 8.157 7.700 1.00 0.00 H new ATOM 1123 N PHE A 70 11.176 4.261 5.094 1.00 0.00 N ATOM 1124 CA PHE A 70 12.123 3.203 4.781 1.00 0.00 C ATOM 1125 C PHE A 70 13.371 3.770 4.117 1.00 0.00 C ATOM 1126 O PHE A 70 13.371 4.911 3.649 1.00 0.00 O ATOM 1127 CB PHE A 70 11.471 2.123 3.892 1.00 0.00 C ATOM 1128 CG PHE A 70 11.032 2.571 2.513 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.771 3.900 2.225 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.872 1.637 1.507 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.365 4.284 0.959 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.464 2.009 0.241 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.209 3.337 -0.036 1.00 0.00 C ATOM 0 H PHE A 70 11.142 5.017 4.410 1.00 0.00 H new ATOM 0 HA PHE A 70 12.422 2.733 5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.177 1.301 3.777 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.602 1.726 4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.886 4.646 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.070 0.596 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.170 5.325 0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.345 1.263 -0.530 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.890 3.634 -1.024 1.00 0.00 H new ATOM 1143 N THR A 71 14.430 2.980 4.087 1.00 0.00 N ATOM 1144 CA THR A 71 15.632 3.341 3.356 1.00 0.00 C ATOM 1145 C THR A 71 15.892 2.321 2.239 1.00 0.00 C ATOM 1146 O THR A 71 16.624 1.348 2.440 1.00 0.00 O ATOM 1147 CB THR A 71 16.853 3.403 4.296 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.544 4.211 5.441 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.066 3.982 3.580 1.00 0.00 C ATOM 0 H THR A 71 14.482 2.079 4.563 1.00 0.00 H new ATOM 0 HA THR A 71 15.481 4.329 2.920 1.00 0.00 H new ATOM 0 HB THR A 71 17.090 2.387 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.322 4.246 6.036 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.912 4.014 4.266 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.316 3.356 2.724 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.839 4.991 3.237 1.00 0.00 H new ATOM 1157 N PRO A 72 15.252 2.514 1.065 1.00 0.00 N ATOM 1158 CA PRO A 72 15.378 1.611 -0.095 1.00 0.00 C ATOM 1159 C PRO A 72 16.817 1.294 -0.469 1.00 0.00 C ATOM 1160 O PRO A 72 17.712 2.126 -0.303 1.00 0.00 O ATOM 1161 CB PRO A 72 14.714 2.395 -1.245 1.00 0.00 C ATOM 1162 CG PRO A 72 14.462 3.771 -0.712 1.00 0.00 C ATOM 1163 CD PRO A 72 14.335 3.622 0.773 1.00 0.00 C ATOM 0 HA PRO A 72 14.922 0.645 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.362 2.428 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.783 1.920 -1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.280 4.444 -0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.554 4.195 -1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.621 4.534 1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.312 3.391 1.071 1.00 0.00 H new ATOM 1171 N THR A 73 17.028 0.089 -0.978 1.00 0.00 N ATOM 1172 CA THR A 73 18.331 -0.329 -1.450 1.00 0.00 C ATOM 1173 C THR A 73 18.174 -1.117 -2.743 1.00 0.00 C ATOM 1174 O THR A 73 17.054 -1.341 -3.205 1.00 0.00 O ATOM 1175 CB THR A 73 19.097 -1.197 -0.422 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.477 -2.475 -0.294 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.154 -0.527 0.944 1.00 0.00 C ATOM 0 H THR A 73 16.301 -0.621 -1.073 1.00 0.00 H new ATOM 0 HA THR A 73 18.915 0.577 -1.612 1.00 0.00 H new ATOM 0 HB THR A 73 20.116 -1.316 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.544 -2.417 -0.589 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.699 -1.165 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.663 0.433 0.857 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.141 -0.369 1.314 1.00 0.00 H new ATOM 1185 N GLU A 74 19.285 -1.495 -3.342 1.00 0.00 N ATOM 1186 CA GLU A 74 19.270 -2.337 -4.527 1.00 0.00 C ATOM 1187 C GLU A 74 18.701 -3.721 -4.205 1.00 0.00 C ATOM 1188 O GLU A 74 17.834 -4.240 -4.911 1.00 0.00 O ATOM 1189 CB GLU A 74 20.702 -2.471 -5.046 1.00 0.00 C ATOM 1190 CG GLU A 74 20.830 -2.889 -6.500 1.00 0.00 C ATOM 1191 CD GLU A 74 20.325 -4.287 -6.775 1.00 0.00 C ATOM 1192 OE1 GLU A 74 19.305 -4.425 -7.480 1.00 0.00 O ATOM 1193 OE2 GLU A 74 20.948 -5.253 -6.289 1.00 0.00 O ATOM 0 H GLU A 74 20.218 -1.231 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 74 18.634 -1.881 -5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.209 -1.515 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.228 -3.199 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 74 20.279 -2.184 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 74 21.877 -2.825 -6.797 1.00 0.00 H new ATOM 1200 N LYS A 75 19.160 -4.276 -3.102 1.00 0.00 N ATOM 1201 CA LYS A 75 18.966 -5.675 -2.815 1.00 0.00 C ATOM 1202 C LYS A 75 17.681 -5.964 -2.056 1.00 0.00 C ATOM 1203 O LYS A 75 17.162 -7.077 -2.141 1.00 0.00 O ATOM 1204 CB LYS A 75 20.160 -6.189 -2.033 1.00 0.00 C ATOM 1205 CG LYS A 75 21.429 -6.265 -2.865 1.00 0.00 C ATOM 1206 CD LYS A 75 22.642 -5.866 -2.055 1.00 0.00 C ATOM 1207 CE LYS A 75 23.932 -6.093 -2.830 1.00 0.00 C ATOM 1208 NZ LYS A 75 25.127 -5.641 -2.068 1.00 0.00 N ATOM 0 H LYS A 75 19.676 -3.768 -2.384 1.00 0.00 H new ATOM 0 HA LYS A 75 18.877 -6.192 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.333 -5.538 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.930 -7.179 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.559 -7.279 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.337 -5.611 -3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.564 -4.815 -1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.667 -6.441 -1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.032 -7.153 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.884 -5.559 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.984 -5.814 -2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 25.045 -4.624 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.189 -6.169 -1.174 1.00 0.00 H new ATOM 1222 N ASP A 76 17.153 -4.997 -1.316 1.00 0.00 N ATOM 1223 CA ASP A 76 15.931 -5.264 -0.569 1.00 0.00 C ATOM 1224 C ASP A 76 14.709 -4.928 -1.422 1.00 0.00 C ATOM 1225 O ASP A 76 14.832 -4.318 -2.484 1.00 0.00 O ATOM 1226 CB ASP A 76 15.907 -4.545 0.799 1.00 0.00 C ATOM 1227 CG ASP A 76 15.716 -3.045 0.747 1.00 0.00 C ATOM 1228 OD1 ASP A 76 15.947 -2.429 -0.309 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.350 -2.474 1.799 1.00 0.00 O ATOM 0 H ASP A 76 17.534 -4.056 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 76 15.902 -6.329 -0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.106 -4.974 1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.843 -4.756 1.317 1.00 0.00 H new ATOM 1234 N GLU A 77 13.539 -5.364 -0.979 1.00 0.00 N ATOM 1235 CA GLU A 77 12.346 -5.294 -1.807 1.00 0.00 C ATOM 1236 C GLU A 77 11.128 -5.218 -0.907 1.00 0.00 C ATOM 1237 O GLU A 77 11.086 -5.867 0.138 1.00 0.00 O ATOM 1238 CB GLU A 77 12.281 -6.547 -2.686 1.00 0.00 C ATOM 1239 CG GLU A 77 11.274 -6.511 -3.830 1.00 0.00 C ATOM 1240 CD GLU A 77 11.814 -5.807 -5.055 1.00 0.00 C ATOM 1241 OE1 GLU A 77 11.409 -4.662 -5.311 1.00 0.00 O ATOM 1242 OE2 GLU A 77 12.627 -6.410 -5.784 1.00 0.00 O ATOM 0 H GLU A 77 13.391 -5.768 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 77 12.373 -4.411 -2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.271 -6.724 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.048 -7.401 -2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.993 -7.530 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.367 -6.007 -3.496 1.00 0.00 H new ATOM 1249 N TYR A 78 10.141 -4.435 -1.294 1.00 0.00 N ATOM 1250 CA TYR A 78 8.962 -4.269 -0.462 1.00 0.00 C ATOM 1251 C TYR A 78 7.707 -4.555 -1.261 1.00 0.00 C ATOM 1252 O TYR A 78 7.725 -4.535 -2.490 1.00 0.00 O ATOM 1253 CB TYR A 78 8.882 -2.859 0.156 1.00 0.00 C ATOM 1254 CG TYR A 78 10.213 -2.242 0.536 1.00 0.00 C ATOM 1255 CD1 TYR A 78 11.056 -1.695 -0.427 1.00 0.00 C ATOM 1256 CD2 TYR A 78 10.613 -2.184 1.864 1.00 0.00 C ATOM 1257 CE1 TYR A 78 12.256 -1.109 -0.074 1.00 0.00 C ATOM 1258 CE2 TYR A 78 11.813 -1.602 2.221 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.627 -1.067 1.249 1.00 0.00 C ATOM 1260 OH TYR A 78 13.818 -0.483 1.605 1.00 0.00 O ATOM 0 H TYR A 78 10.129 -3.909 -2.168 1.00 0.00 H new ATOM 0 HA TYR A 78 9.042 -4.985 0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.383 -2.198 -0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.254 -2.905 1.046 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.767 -1.729 -1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.976 -2.601 2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.899 -0.687 -0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 78 12.111 -1.567 3.258 1.00 0.00 H new ATOM 0 HH TYR A 78 14.503 -1.176 1.711 1.00 0.00 H new ATOM 1270 N ALA A 79 6.623 -4.834 -0.558 1.00 0.00 N ATOM 1271 CA ALA A 79 5.364 -5.201 -1.206 1.00 0.00 C ATOM 1272 C ALA A 79 4.160 -4.606 -0.486 1.00 0.00 C ATOM 1273 O ALA A 79 4.280 -4.109 0.624 1.00 0.00 O ATOM 1274 CB ALA A 79 5.236 -6.713 -1.294 1.00 0.00 C ATOM 0 H ALA A 79 6.584 -4.815 0.461 1.00 0.00 H new ATOM 0 HA ALA A 79 5.380 -4.786 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.294 -6.971 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.065 -7.115 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.256 -7.139 -0.291 1.00 0.00 H new ATOM 1280 N CYS A 80 3.017 -4.606 -1.152 1.00 0.00 N ATOM 1281 CA CYS A 80 1.760 -4.185 -0.545 1.00 0.00 C ATOM 1282 C CYS A 80 0.782 -5.362 -0.497 1.00 0.00 C ATOM 1283 O CYS A 80 0.580 -6.046 -1.501 1.00 0.00 O ATOM 1284 CB CYS A 80 1.139 -3.038 -1.346 1.00 0.00 C ATOM 1285 SG CYS A 80 1.561 -1.379 -0.732 1.00 0.00 S ATOM 0 H CYS A 80 2.932 -4.897 -2.126 1.00 0.00 H new ATOM 0 HA CYS A 80 1.964 -3.841 0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.460 -3.120 -2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.055 -3.150 -1.338 1.00 0.00 H new ATOM 1290 N ARG A 81 0.196 -5.599 0.669 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.781 -6.667 0.856 1.00 0.00 C ATOM 1292 C ARG A 81 -2.125 -6.072 1.237 1.00 0.00 C ATOM 1293 O ARG A 81 -2.180 -5.179 2.073 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.348 -7.586 1.993 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.024 -8.948 1.987 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.642 -9.761 3.217 1.00 0.00 C ATOM 1297 NE ARG A 81 0.771 -10.129 3.230 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.208 -11.377 3.399 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.338 -12.369 3.542 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.508 -11.632 3.430 1.00 0.00 N ATOM 0 H ARG A 81 0.383 -5.057 1.513 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.854 -7.226 -0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.731 -7.729 1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.557 -7.094 2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.106 -8.819 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.741 -9.493 1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.872 -9.186 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.250 -10.665 3.253 1.00 0.00 H new ATOM 0 HE ARG A 81 1.462 -9.390 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.663 -12.176 3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.671 -13.324 3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.180 -10.872 3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.837 -12.589 3.560 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.208 -6.549 0.643 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.531 -6.130 1.094 1.00 0.00 C ATOM 1316 C VAL A 82 -5.450 -7.321 1.259 1.00 0.00 C ATOM 1317 O VAL A 82 -5.386 -8.293 0.502 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.203 -5.090 0.175 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.186 -4.116 -0.350 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.971 -5.738 -0.959 1.00 0.00 C ATOM 0 H VAL A 82 -3.203 -7.210 -0.134 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.366 -5.647 2.057 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.930 -4.545 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.678 -3.389 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.714 -3.598 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.428 -4.653 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.426 -4.965 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.290 -6.335 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.750 -6.381 -0.550 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.271 -7.239 2.279 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.227 -8.284 2.593 1.00 0.00 C ATOM 1332 C ASN A 83 -8.653 -7.759 2.495 1.00 0.00 C ATOM 1333 O ASN A 83 -9.051 -6.894 3.279 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.006 -8.802 4.027 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.567 -9.190 4.340 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.209 -10.362 4.312 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.731 -8.204 4.637 1.00 0.00 N ATOM 0 H ASN A 83 -6.298 -6.445 2.919 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.079 -9.090 1.874 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.324 -8.033 4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.647 -9.668 4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.755 -8.410 4.852 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.064 -7.240 4.651 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.425 -8.274 1.544 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.837 -7.973 1.476 1.00 0.00 C ATOM 1346 C HIS A 84 -11.563 -9.234 1.046 1.00 0.00 C ATOM 1347 O HIS A 84 -10.985 -10.089 0.369 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.100 -6.848 0.478 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.334 -6.050 0.781 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.458 -6.149 0.000 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.559 -5.142 1.765 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.334 -5.302 0.518 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.835 -4.671 1.589 1.00 0.00 N ATOM 0 H HIS A 84 -9.090 -8.901 0.813 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.194 -7.642 2.451 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.240 -6.179 0.463 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.190 -7.274 -0.521 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.866 -4.847 2.539 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.327 -5.140 0.126 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.312 -3.975 2.163 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.824 -9.345 1.433 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.605 -10.550 1.167 1.00 0.00 C ATOM 1363 C VAL A 85 -13.796 -10.758 -0.329 1.00 0.00 C ATOM 1364 O VAL A 85 -14.112 -11.859 -0.779 1.00 0.00 O ATOM 1365 CB VAL A 85 -14.993 -10.495 1.838 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.857 -10.336 3.342 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.834 -9.371 1.252 1.00 0.00 C ATOM 0 H VAL A 85 -13.332 -8.616 1.933 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.041 -11.383 1.587 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.502 -11.438 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.848 -10.299 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.303 -11.182 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.323 -9.412 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.808 -9.352 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.330 -8.418 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.968 -9.536 0.183 1.00 0.00 H new ATOM 1377 N THR A 86 -13.623 -9.685 -1.084 1.00 0.00 N ATOM 1378 CA THR A 86 -13.811 -9.699 -2.519 1.00 0.00 C ATOM 1379 C THR A 86 -12.738 -10.505 -3.223 1.00 0.00 C ATOM 1380 O THR A 86 -13.030 -11.356 -4.064 1.00 0.00 O ATOM 1381 CB THR A 86 -13.768 -8.261 -3.038 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.560 -7.632 -2.596 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.946 -7.467 -2.522 1.00 0.00 C ATOM 0 H THR A 86 -13.347 -8.776 -0.713 1.00 0.00 H new ATOM 0 HA THR A 86 -14.774 -10.164 -2.728 1.00 0.00 H new ATOM 0 HB THR A 86 -13.808 -8.288 -4.127 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.757 -7.041 -1.839 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.893 -6.448 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.873 -7.933 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.922 -7.447 -1.432 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.494 -10.215 -2.871 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.355 -10.852 -3.504 1.00 0.00 C ATOM 1393 C LEU A 87 -10.362 -12.345 -3.229 1.00 0.00 C ATOM 1394 O LEU A 87 -9.842 -13.132 -4.021 1.00 0.00 O ATOM 1395 CB LEU A 87 -9.041 -10.219 -3.027 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.839 -8.755 -3.432 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.454 -8.268 -3.028 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -9.042 -8.589 -4.931 1.00 0.00 C ATOM 0 H LEU A 87 -11.250 -9.539 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.432 -10.699 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.996 -10.288 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.210 -10.806 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.579 -8.150 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.333 -7.226 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.340 -8.352 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.696 -8.876 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.895 -7.544 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.323 -9.209 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.054 -8.895 -5.197 1.00 0.00 H new ATOM 1410 N SER A 88 -10.958 -12.717 -2.091 1.00 0.00 N ATOM 1411 CA SER A 88 -11.056 -14.109 -1.657 1.00 0.00 C ATOM 1412 C SER A 88 -9.684 -14.650 -1.232 1.00 0.00 C ATOM 1413 O SER A 88 -9.589 -15.610 -0.464 1.00 0.00 O ATOM 1414 CB SER A 88 -11.717 -14.966 -2.741 1.00 0.00 C ATOM 1415 OG SER A 88 -11.536 -16.354 -2.514 1.00 0.00 O ATOM 0 H SER A 88 -11.387 -12.055 -1.444 1.00 0.00 H new ATOM 0 HA SER A 88 -11.697 -14.158 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.783 -14.742 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.302 -14.702 -3.714 1.00 0.00 H new ATOM 0 HG SER A 88 -11.975 -16.862 -3.228 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.629 -13.996 -1.701 1.00 0.00 N ATOM 1422 CA GLN A 89 -7.264 -14.308 -1.335 1.00 0.00 C ATOM 1423 C GLN A 89 -6.527 -12.979 -1.264 1.00 0.00 C ATOM 1424 O GLN A 89 -6.499 -12.256 -2.261 1.00 0.00 O ATOM 1425 CB GLN A 89 -6.594 -15.182 -2.402 1.00 0.00 C ATOM 1426 CG GLN A 89 -7.487 -16.256 -3.001 1.00 0.00 C ATOM 1427 CD GLN A 89 -6.887 -16.869 -4.248 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -5.667 -16.951 -4.389 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -7.737 -17.295 -5.170 1.00 0.00 N ATOM 0 H GLN A 89 -8.706 -13.220 -2.359 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.241 -14.852 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.235 -14.539 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.719 -15.661 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.659 -17.037 -2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.459 -15.825 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.742 -17.210 -5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.387 -17.709 -6.034 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.968 -12.601 -0.102 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.252 -11.325 0.041 1.00 0.00 C ATOM 1440 C PRO A 90 -4.258 -11.086 -1.078 1.00 0.00 C ATOM 1441 O PRO A 90 -3.618 -12.014 -1.576 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.537 -11.478 1.368 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.458 -12.338 2.155 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.989 -13.354 1.170 1.00 0.00 C ATOM 0 HA PRO A 90 -5.927 -10.470 -0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.558 -11.942 1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.375 -10.514 1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.936 -12.824 2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.267 -11.752 2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.361 -14.244 1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.994 -13.685 1.430 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.107 -9.835 -1.445 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.400 -9.490 -2.645 1.00 0.00 C ATOM 1454 C LYS A 91 -2.055 -8.888 -2.323 1.00 0.00 C ATOM 1455 O LYS A 91 -1.960 -7.982 -1.502 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.206 -8.495 -3.448 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.716 -8.387 -4.860 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.832 -9.733 -5.532 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.406 -9.609 -6.928 1.00 0.00 C ATOM 1460 NZ LYS A 91 -3.488 -8.885 -7.845 1.00 0.00 N ATOM 0 H LYS A 91 -4.469 -9.038 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.250 -10.402 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.254 -8.794 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.155 -7.517 -2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.300 -7.645 -5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.680 -8.049 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.849 -10.202 -5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.467 -10.386 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.607 -10.603 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.361 -9.085 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.919 -8.822 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.316 -7.927 -7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.586 -9.398 -7.910 1.00 0.00 H new ATOM 1474 N ILE A 92 -1.024 -9.396 -2.964 1.00 0.00 N ATOM 1475 CA ILE A 92 0.301 -8.822 -2.825 1.00 0.00 C ATOM 1476 C ILE A 92 0.760 -8.237 -4.148 1.00 0.00 C ATOM 1477 O ILE A 92 0.709 -8.894 -5.186 1.00 0.00 O ATOM 1478 CB ILE A 92 1.366 -9.843 -2.354 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.056 -10.374 -0.948 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.759 -9.219 -2.386 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.027 -11.481 -0.913 1.00 0.00 C ATOM 0 H ILE A 92 -1.075 -10.203 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 92 0.213 -8.050 -2.060 1.00 0.00 H new ATOM 0 HB ILE A 92 1.339 -10.686 -3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.980 -10.738 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.705 -9.548 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.494 -9.952 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.995 -8.907 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.785 -8.352 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.132 -11.797 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.912 -11.118 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.382 -12.327 -1.501 1.00 0.00 H new ATOM 1493 N VAL A 93 1.189 -6.999 -4.100 1.00 0.00 N ATOM 1494 CA VAL A 93 1.812 -6.357 -5.235 1.00 0.00 C ATOM 1495 C VAL A 93 3.147 -5.794 -4.790 1.00 0.00 C ATOM 1496 O VAL A 93 3.225 -5.066 -3.802 1.00 0.00 O ATOM 1497 CB VAL A 93 0.929 -5.239 -5.836 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.660 -4.510 -6.954 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.378 -5.822 -6.349 1.00 0.00 C ATOM 0 H VAL A 93 1.117 -6.407 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 93 1.950 -7.098 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 93 0.708 -4.517 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.017 -3.729 -7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.572 -4.062 -6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.915 -5.217 -7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.991 -5.025 -6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.168 -6.564 -7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.913 -6.296 -5.526 1.00 0.00 H new ATOM 1509 N LYS A 94 4.188 -6.154 -5.504 1.00 0.00 N ATOM 1510 CA LYS A 94 5.523 -5.786 -5.109 1.00 0.00 C ATOM 1511 C LYS A 94 5.849 -4.394 -5.629 1.00 0.00 C ATOM 1512 O LYS A 94 5.437 -4.016 -6.728 1.00 0.00 O ATOM 1513 CB LYS A 94 6.531 -6.833 -5.595 1.00 0.00 C ATOM 1514 CG LYS A 94 7.405 -6.410 -6.757 1.00 0.00 C ATOM 1515 CD LYS A 94 8.584 -7.350 -6.852 1.00 0.00 C ATOM 1516 CE LYS A 94 9.764 -6.747 -7.595 1.00 0.00 C ATOM 1517 NZ LYS A 94 9.868 -5.273 -7.427 1.00 0.00 N ATOM 0 H LYS A 94 4.134 -6.702 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 94 5.587 -5.758 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.176 -7.106 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.985 -7.731 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.833 -6.428 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.750 -5.386 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.899 -7.631 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.273 -8.265 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.684 -7.213 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.675 -6.980 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.691 -4.920 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.004 -4.821 -7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.982 -5.046 -6.419 1.00 0.00 H new ATOM 1531 N TRP A 95 6.565 -3.631 -4.829 1.00 0.00 N ATOM 1532 CA TRP A 95 6.941 -2.286 -5.197 1.00 0.00 C ATOM 1533 C TRP A 95 8.204 -2.352 -6.029 1.00 0.00 C ATOM 1534 O TRP A 95 9.093 -3.148 -5.741 1.00 0.00 O ATOM 1535 CB TRP A 95 7.186 -1.437 -3.940 1.00 0.00 C ATOM 1536 CG TRP A 95 7.589 -0.029 -4.253 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.773 1.004 -4.613 1.00 0.00 C ATOM 1538 CD2 TRP A 95 8.921 0.494 -4.243 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.517 2.136 -4.826 1.00 0.00 N ATOM 1540 CE2 TRP A 95 8.837 1.849 -4.604 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.175 -0.053 -3.958 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 9.959 2.664 -4.697 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.291 0.754 -4.049 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.175 2.104 -4.415 1.00 0.00 C ATOM 0 H TRP A 95 6.900 -3.925 -3.912 1.00 0.00 H new ATOM 0 HA TRP A 95 6.138 -1.823 -5.770 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.279 -1.423 -3.335 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.964 -1.906 -3.338 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.700 0.939 -4.715 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.147 3.045 -5.105 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.269 -1.090 -3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 9.874 3.702 -4.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.266 0.341 -3.836 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.064 2.714 -4.475 1.00 0.00 H new ATOM 1555 N ASP A 96 8.283 -1.550 -7.068 1.00 0.00 N ATOM 1556 CA ASP A 96 9.467 -1.545 -7.899 1.00 0.00 C ATOM 1557 C ASP A 96 9.892 -0.134 -8.245 1.00 0.00 C ATOM 1558 O ASP A 96 9.080 0.789 -8.309 1.00 0.00 O ATOM 1559 CB ASP A 96 9.244 -2.353 -9.180 1.00 0.00 C ATOM 1560 CG ASP A 96 8.235 -1.723 -10.121 1.00 0.00 C ATOM 1561 OD1 ASP A 96 7.018 -1.906 -9.904 1.00 0.00 O ATOM 1562 OD2 ASP A 96 8.658 -1.073 -11.097 1.00 0.00 O ATOM 0 H ASP A 96 7.551 -0.900 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 96 10.266 -2.014 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.195 -2.465 -9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.906 -3.355 -8.915 1.00 0.00 H new ATOM 1567 N ARG A 97 11.186 0.011 -8.447 1.00 0.00 N ATOM 1568 CA ARG A 97 11.762 1.262 -8.873 1.00 0.00 C ATOM 1569 C ARG A 97 12.444 1.068 -10.223 1.00 0.00 C ATOM 1570 O ARG A 97 12.551 1.997 -11.019 1.00 0.00 O ATOM 1571 CB ARG A 97 12.732 1.780 -7.807 1.00 0.00 C ATOM 1572 CG ARG A 97 14.082 1.071 -7.731 1.00 0.00 C ATOM 1573 CD ARG A 97 15.166 1.856 -8.462 1.00 0.00 C ATOM 1574 NE ARG A 97 15.184 3.264 -8.062 1.00 0.00 N ATOM 1575 CZ ARG A 97 15.070 4.281 -8.918 1.00 0.00 C ATOM 1576 NH1 ARG A 97 14.985 4.046 -10.221 1.00 0.00 N ATOM 1577 NH2 ARG A 97 15.053 5.532 -8.470 1.00 0.00 N ATOM 0 H ARG A 97 11.866 -0.739 -8.319 1.00 0.00 H new ATOM 0 HA ARG A 97 10.982 2.014 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.910 2.840 -7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.247 1.702 -6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.367 0.940 -6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.996 0.075 -8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.139 1.408 -8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.002 1.786 -9.537 1.00 0.00 H new ATOM 0 HE ARG A 97 15.290 3.480 -7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.007 3.087 -10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.898 4.824 -10.875 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.127 5.716 -7.470 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.966 6.308 -9.127 1.00 0.00 H new ATOM 1591 N ASP A 98 12.912 -0.154 -10.454 1.00 0.00 N ATOM 1592 CA ASP A 98 13.413 -0.572 -11.759 1.00 0.00 C ATOM 1593 C ASP A 98 13.097 -2.041 -11.989 1.00 0.00 C ATOM 1594 O ASP A 98 13.028 -2.506 -13.125 1.00 0.00 O ATOM 1595 CB ASP A 98 14.927 -0.372 -11.864 1.00 0.00 C ATOM 1596 CG ASP A 98 15.313 0.987 -12.400 1.00 0.00 C ATOM 1597 OD1 ASP A 98 15.263 1.178 -13.635 1.00 0.00 O ATOM 1598 OD2 ASP A 98 15.691 1.864 -11.597 1.00 0.00 O ATOM 0 H ASP A 98 12.955 -0.883 -9.742 1.00 0.00 H new ATOM 0 HA ASP A 98 12.923 0.043 -12.514 1.00 0.00 H new ATOM 0 HB2 ASP A 98 15.374 -0.507 -10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 98 15.345 -1.143 -12.512 1.00 0.00 H new ATOM 1603 N MET A 99 12.911 -2.764 -10.890 1.00 0.00 N ATOM 1604 CA MET A 99 12.766 -4.212 -10.931 1.00 0.00 C ATOM 1605 C MET A 99 11.300 -4.606 -11.032 1.00 0.00 C ATOM 1606 CB MET A 99 13.382 -4.827 -9.669 1.00 0.00 C ATOM 1607 CG MET A 99 14.654 -4.128 -9.208 1.00 0.00 C ATOM 1608 SD MET A 99 15.975 -4.183 -10.438 1.00 0.00 S ATOM 1609 CE MET A 99 16.291 -5.946 -10.527 1.00 0.00 C ATOM 0 H MET A 99 12.857 -2.365 -9.953 1.00 0.00 H new ATOM 0 HA MET A 99 13.285 -4.588 -11.813 1.00 0.00 H new ATOM 0 HB2 MET A 99 12.648 -4.795 -8.864 1.00 0.00 H new ATOM 0 HB3 MET A 99 13.603 -5.878 -9.858 1.00 0.00 H new ATOM 0 HG2 MET A 99 14.426 -3.088 -8.974 1.00 0.00 H new ATOM 0 HG3 MET A 99 15.004 -4.593 -8.286 1.00 0.00 H new ATOM 0 HE1 MET A 99 17.242 -6.120 -11.031 1.00 0.00 H new ATOM 0 HE2 MET A 99 16.333 -6.359 -9.519 1.00 0.00 H new ATOM 0 HE3 MET A 99 15.490 -6.431 -11.085 1.00 0.00 H new TER 1619 MET A 99