USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 972 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 114 LYS NZ :NH3+ -127:sc= -1.02 (180deg=-3.78!) USER MOD Set 1.2: A 119 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00161) USER MOD Single : A 1 GLY N :NH3+ -159:sc= 0 (180deg=-0.169) USER MOD Single : A 4 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.48) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.39) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -80:sc= 1.02 USER MOD Single : A 25 ASN : amide:sc= 0.266 X(o=0.27,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 115:sc= 0.042 USER MOD Single : A 38 ASN : amide:sc= -0.0783 X(o=-0.078,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= -0.0482 (180deg=-0.0547) USER MOD Single : A 46 SER OG : rot -170:sc= -0.251 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -175:sc= 2.15 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -7.4! C(o=-7.4!,f=-12!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.33) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 83 ASN : amide:sc=-0.00452 X(o=-0.0045,f=-0.0045) USER MOD Single : A 84 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.6) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.493 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -42:sc= 0.0108 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.197 -21.674 -11.750 1.00 0.00 N ATOM 2 CA GLY A 1 -5.766 -21.342 -10.415 1.00 0.00 C ATOM 3 C GLY A 1 -5.554 -19.886 -10.038 1.00 0.00 C ATOM 4 O GLY A 1 -6.497 -19.095 -10.074 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.654 -22.533 -12.118 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.365 -20.884 -12.405 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.174 -21.837 -11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.833 -21.563 -10.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.308 -21.980 -9.659 1.00 0.00 H new ATOM 10 N PRO A 2 -4.318 -19.503 -9.671 1.00 0.00 N ATOM 11 CA PRO A 2 -4.000 -18.122 -9.288 1.00 0.00 C ATOM 12 C PRO A 2 -4.351 -17.122 -10.385 1.00 0.00 C ATOM 13 O PRO A 2 -4.037 -17.336 -11.557 1.00 0.00 O ATOM 14 CB PRO A 2 -2.485 -18.149 -9.058 1.00 0.00 C ATOM 15 CG PRO A 2 -2.164 -19.577 -8.783 1.00 0.00 C ATOM 16 CD PRO A 2 -3.138 -20.382 -9.596 1.00 0.00 C ATOM 0 HA PRO A 2 -4.570 -17.804 -8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.946 -17.784 -9.933 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.201 -17.512 -8.220 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.136 -19.807 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.262 -19.802 -7.721 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.743 -20.612 -10.586 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.373 -21.333 -9.118 1.00 0.00 H new ATOM 24 N VAL A 3 -5.004 -16.031 -9.997 1.00 0.00 N ATOM 25 CA VAL A 3 -5.397 -14.996 -10.946 1.00 0.00 C ATOM 26 C VAL A 3 -4.872 -13.631 -10.515 1.00 0.00 C ATOM 27 O VAL A 3 -4.062 -13.019 -11.211 1.00 0.00 O ATOM 28 CB VAL A 3 -6.928 -14.920 -11.097 1.00 0.00 C ATOM 29 CG1 VAL A 3 -7.306 -14.059 -12.293 1.00 0.00 C ATOM 30 CG2 VAL A 3 -7.525 -16.314 -11.226 1.00 0.00 C ATOM 0 H VAL A 3 -5.272 -15.841 -9.031 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.960 -15.266 -11.907 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.338 -14.456 -10.200 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.391 -14.018 -12.383 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.915 -13.051 -12.154 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.883 -14.491 -13.200 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.607 -16.238 -11.332 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.109 -16.808 -12.104 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.287 -16.895 -10.335 1.00 0.00 H new ATOM 40 N ASN A 4 -5.339 -13.162 -9.363 1.00 0.00 N ATOM 41 CA ASN A 4 -4.916 -11.869 -8.835 1.00 0.00 C ATOM 42 C ASN A 4 -4.321 -12.025 -7.435 1.00 0.00 C ATOM 43 O ASN A 4 -4.812 -12.819 -6.634 1.00 0.00 O ATOM 44 CB ASN A 4 -6.100 -10.901 -8.794 1.00 0.00 C ATOM 45 CG ASN A 4 -5.673 -9.456 -8.965 1.00 0.00 C ATOM 46 OD1 ASN A 4 -5.387 -9.008 -10.076 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.626 -8.719 -7.862 1.00 0.00 N ATOM 0 H ASN A 4 -6.011 -13.657 -8.777 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.149 -11.465 -9.495 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.807 -11.163 -9.581 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.624 -11.012 -7.845 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.344 -7.740 -7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.872 -9.132 -6.962 1.00 0.00 H new ATOM 54 N PRO A 5 -3.252 -11.267 -7.122 1.00 0.00 N ATOM 55 CA PRO A 5 -2.597 -11.331 -5.810 1.00 0.00 C ATOM 56 C PRO A 5 -3.550 -10.994 -4.669 1.00 0.00 C ATOM 57 O PRO A 5 -3.464 -11.570 -3.585 1.00 0.00 O ATOM 58 CB PRO A 5 -1.486 -10.278 -5.904 1.00 0.00 C ATOM 59 CG PRO A 5 -1.262 -10.082 -7.364 1.00 0.00 C ATOM 60 CD PRO A 5 -2.597 -10.296 -8.016 1.00 0.00 C ATOM 0 HA PRO A 5 -2.231 -12.334 -5.592 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.783 -9.347 -5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.577 -10.618 -5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.882 -9.081 -7.570 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.524 -10.788 -7.744 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.164 -9.368 -8.088 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.494 -10.686 -9.029 1.00 0.00 H new ATOM 68 N ALA A 6 -4.457 -10.056 -4.921 1.00 0.00 N ATOM 69 CA ALA A 6 -5.427 -9.639 -3.913 1.00 0.00 C ATOM 70 C ALA A 6 -6.424 -10.754 -3.611 1.00 0.00 C ATOM 71 O ALA A 6 -6.829 -10.943 -2.463 1.00 0.00 O ATOM 72 CB ALA A 6 -6.155 -8.384 -4.372 1.00 0.00 C ATOM 0 H ALA A 6 -4.541 -9.570 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.886 -9.417 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.876 -8.083 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.434 -7.581 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.677 -8.588 -5.307 1.00 0.00 H new ATOM 78 N GLU A 7 -6.820 -11.488 -4.647 1.00 0.00 N ATOM 79 CA GLU A 7 -7.769 -12.583 -4.489 1.00 0.00 C ATOM 80 C GLU A 7 -7.140 -13.752 -3.736 1.00 0.00 C ATOM 81 O GLU A 7 -7.722 -14.272 -2.785 1.00 0.00 O ATOM 82 CB GLU A 7 -8.267 -13.053 -5.857 1.00 0.00 C ATOM 83 CG GLU A 7 -9.241 -12.089 -6.514 1.00 0.00 C ATOM 84 CD GLU A 7 -9.727 -12.580 -7.863 1.00 0.00 C ATOM 85 OE1 GLU A 7 -9.052 -12.297 -8.877 1.00 0.00 O ATOM 86 OE2 GLU A 7 -10.781 -13.248 -7.908 1.00 0.00 O ATOM 0 H GLU A 7 -6.498 -11.344 -5.604 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.613 -12.215 -3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.411 -13.197 -6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.750 -14.024 -5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.097 -11.939 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.759 -11.119 -6.637 1.00 0.00 H new ATOM 93 N ASN A 8 -5.950 -14.160 -4.171 1.00 0.00 N ATOM 94 CA ASN A 8 -5.241 -15.269 -3.539 1.00 0.00 C ATOM 95 C ASN A 8 -4.995 -14.988 -2.060 1.00 0.00 C ATOM 96 O ASN A 8 -5.021 -15.898 -1.231 1.00 0.00 O ATOM 97 CB ASN A 8 -3.911 -15.521 -4.250 1.00 0.00 C ATOM 98 CG ASN A 8 -3.550 -16.994 -4.297 1.00 0.00 C ATOM 99 OD1 ASN A 8 -3.909 -17.703 -5.237 1.00 0.00 O ATOM 100 ND2 ASN A 8 -2.837 -17.460 -3.279 1.00 0.00 N ATOM 0 H ASN A 8 -5.457 -13.739 -4.958 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.865 -16.159 -3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.966 -15.131 -5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.120 -14.972 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.565 -18.443 -3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.561 -16.835 -2.521 1.00 0.00 H new ATOM 107 N PHE A 9 -4.755 -13.722 -1.737 1.00 0.00 N ATOM 108 CA PHE A 9 -4.508 -13.320 -0.358 1.00 0.00 C ATOM 109 C PHE A 9 -5.805 -13.334 0.446 1.00 0.00 C ATOM 110 O PHE A 9 -5.852 -13.854 1.561 1.00 0.00 O ATOM 111 CB PHE A 9 -3.876 -11.923 -0.321 1.00 0.00 C ATOM 112 CG PHE A 9 -4.120 -11.175 0.961 1.00 0.00 C ATOM 113 CD1 PHE A 9 -3.506 -11.571 2.139 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.962 -10.075 0.987 1.00 0.00 C ATOM 115 CE1 PHE A 9 -3.728 -10.885 3.317 1.00 0.00 C ATOM 116 CE2 PHE A 9 -5.188 -9.384 2.162 1.00 0.00 C ATOM 117 CZ PHE A 9 -4.570 -9.790 3.329 1.00 0.00 C ATOM 0 H PHE A 9 -4.726 -12.957 -2.411 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.817 -14.032 0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.801 -12.017 -0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.267 -11.336 -1.152 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.846 -12.426 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.448 -9.754 0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.244 -11.204 4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.847 -8.528 2.168 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.745 -9.252 4.249 1.00 0.00 H new ATOM 127 N ARG A 10 -6.855 -12.760 -0.133 1.00 0.00 N ATOM 128 CA ARG A 10 -8.158 -12.698 0.520 1.00 0.00 C ATOM 129 C ARG A 10 -8.678 -14.091 0.862 1.00 0.00 C ATOM 130 O ARG A 10 -9.253 -14.300 1.931 1.00 0.00 O ATOM 131 CB ARG A 10 -9.164 -11.975 -0.377 1.00 0.00 C ATOM 132 CG ARG A 10 -9.174 -10.467 -0.188 1.00 0.00 C ATOM 133 CD ARG A 10 -10.317 -9.819 -0.955 1.00 0.00 C ATOM 134 NE ARG A 10 -10.180 -8.365 -1.015 1.00 0.00 N ATOM 135 CZ ARG A 10 -11.203 -7.524 -0.902 1.00 0.00 C ATOM 136 NH1 ARG A 10 -12.432 -7.989 -0.722 1.00 0.00 N ATOM 137 NH2 ARG A 10 -10.997 -6.215 -0.969 1.00 0.00 N ATOM 0 H ARG A 10 -6.828 -12.329 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.037 -12.143 1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.937 -12.201 -1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.162 -12.364 -0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.266 -10.232 0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.225 -10.050 -0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.349 -10.222 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.264 -10.075 -0.480 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.248 -7.974 -1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.594 -8.995 -0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.215 -7.341 -0.636 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.053 -5.854 -1.107 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.782 -5.570 -0.882 1.00 0.00 H new ATOM 151 N VAL A 11 -8.474 -15.043 -0.046 1.00 0.00 N ATOM 152 CA VAL A 11 -8.940 -16.410 0.171 1.00 0.00 C ATOM 153 C VAL A 11 -8.052 -17.149 1.168 1.00 0.00 C ATOM 154 O VAL A 11 -8.547 -17.862 2.042 1.00 0.00 O ATOM 155 CB VAL A 11 -9.000 -17.213 -1.144 1.00 0.00 C ATOM 156 CG1 VAL A 11 -10.114 -16.691 -2.036 1.00 0.00 C ATOM 157 CG2 VAL A 11 -7.663 -17.168 -1.868 1.00 0.00 C ATOM 0 H VAL A 11 -7.993 -14.894 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.948 -16.329 0.578 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.215 -18.253 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.142 -17.269 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.069 -16.787 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.932 -15.642 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.730 -17.742 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.410 -16.134 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.890 -17.597 -1.231 1.00 0.00 H new ATOM 167 N LEU A 12 -6.742 -16.978 1.030 1.00 0.00 N ATOM 168 CA LEU A 12 -5.785 -17.628 1.920 1.00 0.00 C ATOM 169 C LEU A 12 -6.072 -17.278 3.377 1.00 0.00 C ATOM 170 O LEU A 12 -5.882 -18.101 4.273 1.00 0.00 O ATOM 171 CB LEU A 12 -4.359 -17.211 1.554 1.00 0.00 C ATOM 172 CG LEU A 12 -3.258 -18.137 2.073 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.861 -19.145 1.006 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.050 -17.327 2.518 1.00 0.00 C ATOM 0 H LEU A 12 -6.317 -16.394 0.310 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.885 -18.707 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.282 -17.153 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.180 -16.208 1.940 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.644 -18.683 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.077 -19.795 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.728 -19.746 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.493 -18.617 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.275 -18.000 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.664 -16.755 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.344 -16.644 3.315 1.00 0.00 H new ATOM 186 N VAL A 13 -6.530 -16.053 3.605 1.00 0.00 N ATOM 187 CA VAL A 13 -6.839 -15.588 4.954 1.00 0.00 C ATOM 188 C VAL A 13 -8.322 -15.762 5.274 1.00 0.00 C ATOM 189 O VAL A 13 -8.733 -15.660 6.431 1.00 0.00 O ATOM 190 CB VAL A 13 -6.455 -14.109 5.145 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.955 -13.921 4.975 1.00 0.00 C ATOM 192 CG2 VAL A 13 -7.225 -13.225 4.175 1.00 0.00 C ATOM 0 H VAL A 13 -6.696 -15.362 2.873 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.249 -16.199 5.637 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.723 -13.812 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.702 -12.870 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.427 -14.522 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.660 -14.236 3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.939 -12.184 4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.993 -13.520 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.295 -13.337 4.351 1.00 0.00 H new ATOM 202 N LYS A 14 -9.117 -16.025 4.243 1.00 0.00 N ATOM 203 CA LYS A 14 -10.556 -16.200 4.408 1.00 0.00 C ATOM 204 C LYS A 14 -10.886 -17.431 5.245 1.00 0.00 C ATOM 205 O LYS A 14 -11.828 -17.413 6.038 1.00 0.00 O ATOM 206 CB LYS A 14 -11.237 -16.308 3.043 1.00 0.00 C ATOM 207 CG LYS A 14 -12.352 -15.295 2.838 1.00 0.00 C ATOM 208 CD LYS A 14 -13.282 -15.712 1.709 1.00 0.00 C ATOM 209 CE LYS A 14 -14.157 -14.556 1.253 1.00 0.00 C ATOM 210 NZ LYS A 14 -15.204 -14.221 2.258 1.00 0.00 N ATOM 0 H LYS A 14 -8.789 -16.122 3.282 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.931 -15.323 4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.489 -16.176 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.644 -17.313 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.923 -15.189 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.922 -14.319 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.693 -16.078 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.912 -16.538 2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.535 -13.680 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.632 -14.812 0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.779 -13.428 1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.814 -15.049 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.751 -13.952 3.155 1.00 0.00 H new ATOM 224 N GLN A 15 -10.113 -18.500 5.072 1.00 0.00 N ATOM 225 CA GLN A 15 -10.360 -19.731 5.817 1.00 0.00 C ATOM 226 C GLN A 15 -9.512 -19.800 7.084 1.00 0.00 C ATOM 227 O GLN A 15 -10.048 -20.032 8.165 1.00 0.00 O ATOM 228 CB GLN A 15 -10.072 -20.947 4.933 1.00 0.00 C ATOM 229 CG GLN A 15 -8.879 -20.759 4.007 1.00 0.00 C ATOM 230 CD GLN A 15 -8.661 -21.945 3.090 1.00 0.00 C ATOM 231 OE1 GLN A 15 -8.352 -23.048 3.545 1.00 0.00 O ATOM 232 NE2 GLN A 15 -8.823 -21.727 1.790 1.00 0.00 N ATOM 0 H GLN A 15 -9.320 -18.540 4.431 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.409 -19.735 6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.894 -21.814 5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.955 -21.167 4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.028 -19.862 3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.982 -20.597 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.079 -20.798 1.457 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.691 -22.489 1.125 1.00 0.00 H new ATOM 241 N LYS A 16 -8.198 -19.567 6.923 1.00 0.00 N ATOM 242 CA LYS A 16 -7.211 -19.580 8.020 1.00 0.00 C ATOM 243 C LYS A 16 -5.960 -20.341 7.591 1.00 0.00 C ATOM 244 O LYS A 16 -5.255 -20.913 8.424 1.00 0.00 O ATOM 245 CB LYS A 16 -7.754 -20.208 9.313 1.00 0.00 C ATOM 246 CG LYS A 16 -8.000 -21.709 9.215 1.00 0.00 C ATOM 247 CD LYS A 16 -7.309 -22.460 10.341 1.00 0.00 C ATOM 248 CE LYS A 16 -8.130 -23.654 10.801 1.00 0.00 C ATOM 249 NZ LYS A 16 -8.569 -23.515 12.216 1.00 0.00 N ATOM 0 H LYS A 16 -7.784 -19.361 6.014 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.976 -18.537 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.049 -20.017 10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.688 -19.714 9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.071 -21.906 9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.638 -22.076 8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.329 -22.799 10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.143 -21.786 11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.004 -23.762 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.540 -24.564 10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.126 -24.350 12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.735 -23.437 12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.154 -22.661 12.316 1.00 0.00 H new ATOM 263 N LYS A 17 -5.687 -20.342 6.291 1.00 0.00 N ATOM 264 CA LYS A 17 -4.531 -21.046 5.758 1.00 0.00 C ATOM 265 C LYS A 17 -3.247 -20.604 6.456 1.00 0.00 C ATOM 266 O LYS A 17 -2.766 -21.271 7.373 1.00 0.00 O ATOM 267 CB LYS A 17 -4.417 -20.821 4.249 1.00 0.00 C ATOM 268 CG LYS A 17 -4.297 -22.108 3.450 1.00 0.00 C ATOM 269 CD LYS A 17 -5.034 -22.012 2.124 1.00 0.00 C ATOM 270 CE LYS A 17 -4.730 -23.204 1.230 1.00 0.00 C ATOM 271 NZ LYS A 17 -4.068 -22.791 -0.039 1.00 0.00 N ATOM 0 H LYS A 17 -6.251 -19.863 5.589 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.671 -22.111 5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.292 -20.270 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.547 -20.196 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.245 -22.327 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.699 -22.937 4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.107 -21.957 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.750 -21.092 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.087 -23.904 1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.656 -23.732 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.877 -23.632 -0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.692 -22.143 -0.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.172 -22.309 0.178 1.00 0.00 H new ATOM 285 N ALA A 18 -2.698 -19.477 6.018 1.00 0.00 N ATOM 286 CA ALA A 18 -1.471 -18.948 6.600 1.00 0.00 C ATOM 287 C ALA A 18 -1.754 -18.175 7.884 1.00 0.00 C ATOM 288 O ALA A 18 -1.562 -18.695 8.983 1.00 0.00 O ATOM 289 CB ALA A 18 -0.750 -18.060 5.596 1.00 0.00 C ATOM 0 H ALA A 18 -3.084 -18.912 5.261 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.829 -19.792 6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.165 -17.672 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.501 -18.642 4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.397 -17.229 5.315 1.00 0.00 H new ATOM 295 N SER A 19 -2.233 -16.939 7.726 1.00 0.00 N ATOM 296 CA SER A 19 -2.545 -16.064 8.858 1.00 0.00 C ATOM 297 C SER A 19 -2.671 -14.617 8.395 1.00 0.00 C ATOM 298 O SER A 19 -3.764 -14.050 8.379 1.00 0.00 O ATOM 299 CB SER A 19 -1.463 -16.155 9.938 1.00 0.00 C ATOM 300 OG SER A 19 -1.461 -14.998 10.758 1.00 0.00 O ATOM 0 H SER A 19 -2.415 -16.518 6.815 1.00 0.00 H new ATOM 0 HA SER A 19 -3.494 -16.395 9.279 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.632 -17.039 10.552 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.486 -16.274 9.469 1.00 0.00 H new ATOM 0 HG SER A 19 -0.763 -15.082 11.440 1.00 0.00 H new ATOM 306 N PHE A 20 -1.536 -14.037 8.007 1.00 0.00 N ATOM 307 CA PHE A 20 -1.486 -12.653 7.543 1.00 0.00 C ATOM 308 C PHE A 20 -0.048 -12.234 7.255 1.00 0.00 C ATOM 309 O PHE A 20 0.251 -11.713 6.185 1.00 0.00 O ATOM 310 CB PHE A 20 -2.100 -11.706 8.577 1.00 0.00 C ATOM 311 CG PHE A 20 -2.631 -10.433 7.980 1.00 0.00 C ATOM 312 CD1 PHE A 20 -1.786 -9.362 7.737 1.00 0.00 C ATOM 313 CD2 PHE A 20 -3.973 -10.309 7.658 1.00 0.00 C ATOM 314 CE1 PHE A 20 -2.270 -8.190 7.185 1.00 0.00 C ATOM 315 CE2 PHE A 20 -4.463 -9.140 7.107 1.00 0.00 C ATOM 316 CZ PHE A 20 -3.610 -8.080 6.870 1.00 0.00 C ATOM 0 H PHE A 20 -0.632 -14.510 8.005 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.067 -12.591 6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.909 -12.221 9.095 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.347 -11.461 9.326 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.737 -9.443 7.982 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.644 -11.136 7.840 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.601 -7.362 7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.511 -9.056 6.862 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.991 -7.166 6.439 1.00 0.00 H new ATOM 326 N GLU A 21 0.831 -12.454 8.229 1.00 0.00 N ATOM 327 CA GLU A 21 2.243 -12.103 8.094 1.00 0.00 C ATOM 328 C GLU A 21 2.848 -12.643 6.799 1.00 0.00 C ATOM 329 O GLU A 21 3.347 -11.876 5.974 1.00 0.00 O ATOM 330 CB GLU A 21 3.031 -12.633 9.293 1.00 0.00 C ATOM 331 CG GLU A 21 3.999 -11.621 9.882 1.00 0.00 C ATOM 332 CD GLU A 21 4.739 -12.157 11.091 1.00 0.00 C ATOM 333 OE1 GLU A 21 5.703 -12.928 10.903 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.354 -11.807 12.227 1.00 0.00 O ATOM 0 H GLU A 21 0.589 -12.876 9.125 1.00 0.00 H new ATOM 0 HA GLU A 21 2.307 -11.015 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.331 -12.946 10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.587 -13.520 8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.721 -11.328 9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.451 -10.722 10.165 1.00 0.00 H new ATOM 341 N GLU A 22 2.812 -13.962 6.628 1.00 0.00 N ATOM 342 CA GLU A 22 3.369 -14.597 5.436 1.00 0.00 C ATOM 343 C GLU A 22 2.774 -14.012 4.157 1.00 0.00 C ATOM 344 O GLU A 22 3.504 -13.626 3.242 1.00 0.00 O ATOM 345 CB GLU A 22 3.125 -16.106 5.478 1.00 0.00 C ATOM 346 CG GLU A 22 4.389 -16.922 5.698 1.00 0.00 C ATOM 347 CD GLU A 22 4.139 -18.415 5.632 1.00 0.00 C ATOM 348 OE1 GLU A 22 3.335 -18.919 6.444 1.00 0.00 O ATOM 349 OE2 GLU A 22 4.749 -19.082 4.769 1.00 0.00 O ATOM 0 H GLU A 22 2.403 -14.612 7.299 1.00 0.00 H new ATOM 0 HA GLU A 22 4.441 -14.402 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.416 -16.329 6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.661 -16.417 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.129 -16.648 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.814 -16.671 6.670 1.00 0.00 H new ATOM 356 N ALA A 23 1.447 -13.948 4.101 1.00 0.00 N ATOM 357 CA ALA A 23 0.757 -13.414 2.933 1.00 0.00 C ATOM 358 C ALA A 23 1.099 -11.944 2.718 1.00 0.00 C ATOM 359 O ALA A 23 1.149 -11.466 1.584 1.00 0.00 O ATOM 360 CB ALA A 23 -0.747 -13.591 3.087 1.00 0.00 C ATOM 0 H ALA A 23 0.829 -14.259 4.851 1.00 0.00 H new ATOM 0 HA ALA A 23 1.091 -13.969 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.252 -13.189 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.980 -14.651 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.087 -13.060 3.976 1.00 0.00 H new ATOM 366 N SER A 24 1.338 -11.235 3.816 1.00 0.00 N ATOM 367 CA SER A 24 1.676 -9.819 3.754 1.00 0.00 C ATOM 368 C SER A 24 3.049 -9.628 3.128 1.00 0.00 C ATOM 369 O SER A 24 3.204 -8.880 2.163 1.00 0.00 O ATOM 370 CB SER A 24 1.649 -9.201 5.153 1.00 0.00 C ATOM 371 OG SER A 24 0.351 -8.737 5.480 1.00 0.00 O ATOM 0 H SER A 24 1.304 -11.619 4.760 1.00 0.00 H new ATOM 0 HA SER A 24 0.934 -9.316 3.134 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.970 -9.940 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.357 -8.374 5.203 1.00 0.00 H new ATOM 0 HG SER A 24 0.199 -7.866 5.057 1.00 0.00 H new ATOM 377 N ASN A 25 4.045 -10.307 3.690 1.00 0.00 N ATOM 378 CA ASN A 25 5.407 -10.224 3.181 1.00 0.00 C ATOM 379 C ASN A 25 5.438 -10.545 1.693 1.00 0.00 C ATOM 380 O ASN A 25 6.093 -9.854 0.912 1.00 0.00 O ATOM 381 CB ASN A 25 6.320 -11.186 3.945 1.00 0.00 C ATOM 382 CG ASN A 25 6.911 -10.557 5.190 1.00 0.00 C ATOM 383 OD1 ASN A 25 7.982 -9.950 5.145 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.215 -10.699 6.312 1.00 0.00 N ATOM 0 H ASN A 25 3.933 -10.920 4.497 1.00 0.00 H new ATOM 0 HA ASN A 25 5.769 -9.206 3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.754 -12.075 4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.127 -11.514 3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.563 -10.297 7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.332 -11.210 6.303 1.00 0.00 H new ATOM 391 N GLN A 26 4.726 -11.600 1.308 1.00 0.00 N ATOM 392 CA GLN A 26 4.665 -12.009 -0.091 1.00 0.00 C ATOM 393 C GLN A 26 4.054 -10.907 -0.950 1.00 0.00 C ATOM 394 O GLN A 26 4.581 -10.568 -2.011 1.00 0.00 O ATOM 395 CB GLN A 26 3.849 -13.294 -0.233 1.00 0.00 C ATOM 396 CG GLN A 26 4.677 -14.559 -0.083 1.00 0.00 C ATOM 397 CD GLN A 26 3.844 -15.821 -0.210 1.00 0.00 C ATOM 398 OE1 GLN A 26 2.977 -16.092 0.620 1.00 0.00 O ATOM 399 NE2 GLN A 26 4.102 -16.598 -1.256 1.00 0.00 N ATOM 0 H GLN A 26 4.184 -12.186 1.944 1.00 0.00 H new ATOM 0 HA GLN A 26 5.682 -12.194 -0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.057 -13.297 0.516 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.364 -13.301 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.461 -14.568 -0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.172 -14.551 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.830 -16.334 -1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.572 -17.458 -1.395 1.00 0.00 H new ATOM 408 N LEU A 27 2.936 -10.354 -0.487 1.00 0.00 N ATOM 409 CA LEU A 27 2.253 -9.288 -1.209 1.00 0.00 C ATOM 410 C LEU A 27 3.180 -8.096 -1.432 1.00 0.00 C ATOM 411 O LEU A 27 3.261 -7.562 -2.540 1.00 0.00 O ATOM 412 CB LEU A 27 1.004 -8.841 -0.445 1.00 0.00 C ATOM 413 CG LEU A 27 -0.314 -9.011 -1.204 1.00 0.00 C ATOM 414 CD1 LEU A 27 -1.497 -8.744 -0.286 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.357 -8.087 -2.412 1.00 0.00 C ATOM 0 H LEU A 27 2.485 -10.628 0.386 1.00 0.00 H new ATOM 0 HA LEU A 27 1.955 -9.680 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.945 -9.405 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.118 -7.791 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.378 -10.041 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.425 -8.870 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.476 -9.446 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.438 -7.725 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.301 -8.222 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.270 -7.052 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.470 -8.325 -3.081 1.00 0.00 H new ATOM 427 N ILE A 28 3.877 -7.682 -0.378 1.00 0.00 N ATOM 428 CA ILE A 28 4.795 -6.554 -0.469 1.00 0.00 C ATOM 429 C ILE A 28 5.957 -6.870 -1.407 1.00 0.00 C ATOM 430 O ILE A 28 6.453 -5.992 -2.114 1.00 0.00 O ATOM 431 CB ILE A 28 5.333 -6.150 0.927 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.297 -4.630 1.086 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.745 -6.677 1.153 1.00 0.00 C ATOM 434 CD1 ILE A 28 3.927 -4.093 1.435 1.00 0.00 C ATOM 0 H ILE A 28 3.823 -8.110 0.546 1.00 0.00 H new ATOM 0 HA ILE A 28 4.236 -5.712 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 28 4.687 -6.601 1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.002 -4.337 1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.635 -4.167 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.092 -6.376 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.743 -7.765 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.412 -6.268 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.975 -3.008 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.222 -4.355 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.595 -4.528 2.378 1.00 0.00 H new ATOM 446 N ASN A 29 6.384 -8.131 -1.411 1.00 0.00 N ATOM 447 CA ASN A 29 7.478 -8.562 -2.271 1.00 0.00 C ATOM 448 C ASN A 29 7.067 -8.449 -3.731 1.00 0.00 C ATOM 449 O ASN A 29 7.822 -7.948 -4.565 1.00 0.00 O ATOM 450 CB ASN A 29 7.876 -10.003 -1.947 1.00 0.00 C ATOM 451 CG ASN A 29 9.378 -10.171 -1.811 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.985 -9.679 -0.861 1.00 0.00 O ATOM 453 ND2 ASN A 29 9.983 -10.869 -2.765 1.00 0.00 N ATOM 0 H ASN A 29 5.988 -8.869 -0.829 1.00 0.00 H new ATOM 0 HA ASN A 29 8.338 -7.916 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.393 -10.311 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.509 -10.664 -2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.992 -11.015 -2.728 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.439 -11.259 -3.535 1.00 0.00 H new ATOM 460 N HIS A 30 5.860 -8.922 -4.032 1.00 0.00 N ATOM 461 CA HIS A 30 5.334 -8.862 -5.387 1.00 0.00 C ATOM 462 C HIS A 30 5.280 -7.415 -5.858 1.00 0.00 C ATOM 463 O HIS A 30 5.678 -7.101 -6.980 1.00 0.00 O ATOM 464 CB HIS A 30 3.939 -9.488 -5.450 1.00 0.00 C ATOM 465 CG HIS A 30 3.932 -10.874 -6.016 1.00 0.00 C ATOM 466 ND1 HIS A 30 3.973 -11.134 -7.370 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.887 -12.082 -5.404 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.953 -12.440 -7.567 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.902 -13.037 -6.390 1.00 0.00 N ATOM 0 H HIS A 30 5.230 -9.350 -3.354 1.00 0.00 H new ATOM 0 HA HIS A 30 5.996 -9.427 -6.044 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.514 -9.512 -4.446 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.292 -8.854 -6.055 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.847 -12.260 -4.340 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.975 -12.935 -8.527 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.878 -14.045 -6.238 1.00 0.00 H new ATOM 478 N ILE A 31 4.784 -6.539 -4.987 1.00 0.00 N ATOM 479 CA ILE A 31 4.692 -5.121 -5.306 1.00 0.00 C ATOM 480 C ILE A 31 6.070 -4.570 -5.653 1.00 0.00 C ATOM 481 O ILE A 31 6.246 -3.905 -6.674 1.00 0.00 O ATOM 482 CB ILE A 31 4.099 -4.310 -4.134 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.647 -4.721 -3.882 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.190 -2.817 -4.420 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.075 -4.166 -2.594 1.00 0.00 C ATOM 0 H ILE A 31 4.441 -6.787 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 31 4.026 -5.022 -6.163 1.00 0.00 H new ATOM 0 HB ILE A 31 4.679 -4.524 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.033 -4.385 -4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.585 -5.809 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.768 -2.260 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.234 -2.535 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.633 -2.586 -5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.043 -4.498 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.665 -4.523 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.105 -3.077 -2.622 1.00 0.00 H new ATOM 497 N GLU A 32 7.045 -4.853 -4.790 1.00 0.00 N ATOM 498 CA GLU A 32 8.414 -4.400 -5.005 1.00 0.00 C ATOM 499 C GLU A 32 8.909 -4.822 -6.384 1.00 0.00 C ATOM 500 O GLU A 32 9.505 -4.026 -7.111 1.00 0.00 O ATOM 501 CB GLU A 32 9.337 -4.965 -3.924 1.00 0.00 C ATOM 502 CG GLU A 32 9.179 -4.285 -2.574 1.00 0.00 C ATOM 503 CD GLU A 32 9.986 -4.961 -1.483 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.182 -4.631 -1.336 1.00 0.00 O ATOM 505 OE2 GLU A 32 9.422 -5.822 -0.775 1.00 0.00 O ATOM 0 H GLU A 32 6.910 -5.394 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 32 8.426 -3.312 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.140 -6.031 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.371 -4.866 -4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.489 -3.243 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.126 -4.283 -2.293 1.00 0.00 H new ATOM 512 N GLN A 33 8.654 -6.080 -6.737 1.00 0.00 N ATOM 513 CA GLN A 33 9.064 -6.606 -8.032 1.00 0.00 C ATOM 514 C GLN A 33 8.430 -5.794 -9.154 1.00 0.00 C ATOM 515 O GLN A 33 9.094 -5.433 -10.126 1.00 0.00 O ATOM 516 CB GLN A 33 8.668 -8.077 -8.161 1.00 0.00 C ATOM 517 CG GLN A 33 9.627 -9.029 -7.462 1.00 0.00 C ATOM 518 CD GLN A 33 9.201 -10.478 -7.585 1.00 0.00 C ATOM 519 OE1 GLN A 33 9.340 -11.091 -8.643 1.00 0.00 O ATOM 520 NE2 GLN A 33 8.680 -11.036 -6.498 1.00 0.00 N ATOM 0 H GLN A 33 8.166 -6.751 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 33 10.149 -6.529 -8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.668 -8.213 -7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.615 -8.339 -9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.624 -8.910 -7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.694 -8.762 -6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.583 -10.491 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.377 -12.010 -6.520 1.00 0.00 H new ATOM 529 N PHE A 34 7.135 -5.521 -9.015 1.00 0.00 N ATOM 530 CA PHE A 34 6.407 -4.737 -10.005 1.00 0.00 C ATOM 531 C PHE A 34 7.088 -3.389 -10.225 1.00 0.00 C ATOM 532 O PHE A 34 7.041 -2.831 -11.321 1.00 0.00 O ATOM 533 CB PHE A 34 4.959 -4.522 -9.556 1.00 0.00 C ATOM 534 CG PHE A 34 4.026 -5.620 -9.982 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.670 -5.767 -11.313 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.501 -6.503 -9.051 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.811 -6.776 -11.708 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.641 -7.512 -9.440 1.00 0.00 C ATOM 539 CZ PHE A 34 2.295 -7.649 -10.770 1.00 0.00 C ATOM 0 H PHE A 34 6.569 -5.832 -8.225 1.00 0.00 H new ATOM 0 HA PHE A 34 6.407 -5.288 -10.945 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.934 -4.437 -8.470 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.600 -3.575 -9.959 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.068 -5.086 -12.050 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.767 -6.401 -8.009 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.544 -6.881 -12.749 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.240 -8.193 -8.704 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.623 -8.437 -11.076 1.00 0.00 H new ATOM 549 N LEU A 35 7.720 -2.873 -9.174 1.00 0.00 N ATOM 550 CA LEU A 35 8.416 -1.592 -9.250 1.00 0.00 C ATOM 551 C LEU A 35 9.806 -1.766 -9.855 1.00 0.00 C ATOM 552 O LEU A 35 10.408 -0.808 -10.339 1.00 0.00 O ATOM 553 CB LEU A 35 8.529 -0.966 -7.860 1.00 0.00 C ATOM 554 CG LEU A 35 7.197 -0.630 -7.187 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.225 -1.025 -5.719 1.00 0.00 C ATOM 556 CD2 LEU A 35 6.885 0.851 -7.336 1.00 0.00 C ATOM 0 H LEU A 35 7.764 -3.323 -8.260 1.00 0.00 H new ATOM 0 HA LEU A 35 7.837 -0.929 -9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.081 -1.649 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.119 -0.053 -7.937 1.00 0.00 H new ATOM 0 HG LEU A 35 6.409 -1.200 -7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.269 -0.778 -5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.403 -2.097 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.023 -0.483 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.934 1.073 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.676 1.438 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.821 1.105 -8.394 1.00 0.00 H new ATOM 568 N ASP A 36 10.309 -2.997 -9.820 1.00 0.00 N ATOM 569 CA ASP A 36 11.628 -3.304 -10.361 1.00 0.00 C ATOM 570 C ASP A 36 11.609 -3.298 -11.886 1.00 0.00 C ATOM 571 O ASP A 36 12.636 -3.513 -12.531 1.00 0.00 O ATOM 572 CB ASP A 36 12.107 -4.664 -9.851 1.00 0.00 C ATOM 573 CG ASP A 36 13.606 -4.840 -9.993 1.00 0.00 C ATOM 574 OD1 ASP A 36 14.345 -4.382 -9.097 1.00 0.00 O ATOM 575 OD2 ASP A 36 14.042 -5.437 -11.001 1.00 0.00 O ATOM 0 H ASP A 36 9.821 -3.799 -9.421 1.00 0.00 H new ATOM 0 HA ASP A 36 12.319 -2.532 -10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.829 -4.774 -8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.597 -5.455 -10.401 1.00 0.00 H new ATOM 580 N THR A 37 10.434 -3.050 -12.457 1.00 0.00 N ATOM 581 CA THR A 37 10.275 -3.014 -13.900 1.00 0.00 C ATOM 582 C THR A 37 9.392 -1.845 -14.312 1.00 0.00 C ATOM 583 O THR A 37 8.292 -1.664 -13.788 1.00 0.00 O ATOM 584 CB THR A 37 9.659 -4.320 -14.435 1.00 0.00 C ATOM 585 OG1 THR A 37 8.902 -4.965 -13.404 1.00 0.00 O ATOM 586 CG2 THR A 37 10.742 -5.263 -14.939 1.00 0.00 C ATOM 0 H THR A 37 9.576 -2.871 -11.936 1.00 0.00 H new ATOM 0 HA THR A 37 11.270 -2.894 -14.329 1.00 0.00 H new ATOM 0 HB THR A 37 9.000 -4.069 -15.266 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.955 -4.980 -13.654 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.283 -6.178 -15.312 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.298 -4.782 -15.744 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.422 -5.505 -14.123 1.00 0.00 H new ATOM 594 N ASN A 38 9.884 -1.055 -15.252 1.00 0.00 N ATOM 595 CA ASN A 38 9.151 0.104 -15.746 1.00 0.00 C ATOM 596 C ASN A 38 8.046 -0.330 -16.704 1.00 0.00 C ATOM 597 O ASN A 38 8.320 -0.908 -17.755 1.00 0.00 O ATOM 598 CB ASN A 38 10.103 1.073 -16.450 1.00 0.00 C ATOM 599 CG ASN A 38 9.680 2.520 -16.287 1.00 0.00 C ATOM 600 OD1 ASN A 38 9.386 3.208 -17.265 1.00 0.00 O ATOM 601 ND2 ASN A 38 9.646 2.991 -15.046 1.00 0.00 N ATOM 0 H ASN A 38 10.794 -1.195 -15.692 1.00 0.00 H new ATOM 0 HA ASN A 38 8.696 0.611 -14.895 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.109 0.944 -16.051 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.148 0.828 -17.511 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.368 3.957 -14.875 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.898 2.386 -14.264 1.00 0.00 H new ATOM 608 N GLU A 39 6.800 -0.041 -16.337 1.00 0.00 N ATOM 609 CA GLU A 39 5.652 -0.410 -17.159 1.00 0.00 C ATOM 610 C GLU A 39 4.395 0.317 -16.691 1.00 0.00 C ATOM 611 O GLU A 39 4.278 0.681 -15.521 1.00 0.00 O ATOM 612 CB GLU A 39 5.427 -1.922 -17.105 1.00 0.00 C ATOM 613 CG GLU A 39 5.945 -2.662 -18.325 1.00 0.00 C ATOM 614 CD GLU A 39 5.321 -2.169 -19.616 1.00 0.00 C ATOM 615 OE1 GLU A 39 4.195 -2.605 -19.937 1.00 0.00 O ATOM 616 OE2 GLU A 39 5.960 -1.346 -20.307 1.00 0.00 O ATOM 0 H GLU A 39 6.560 0.448 -15.475 1.00 0.00 H new ATOM 0 HA GLU A 39 5.861 -0.116 -18.187 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.914 -2.321 -16.215 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.360 -2.118 -16.999 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.027 -2.547 -18.382 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.743 -3.727 -18.212 1.00 0.00 H new ATOM 623 N THR A 40 3.458 0.527 -17.611 1.00 0.00 N ATOM 624 CA THR A 40 2.210 1.211 -17.289 1.00 0.00 C ATOM 625 C THR A 40 1.200 0.265 -16.632 1.00 0.00 C ATOM 626 O THR A 40 0.640 0.590 -15.584 1.00 0.00 O ATOM 627 CB THR A 40 1.570 1.849 -18.538 1.00 0.00 C ATOM 628 OG1 THR A 40 2.578 2.479 -19.338 1.00 0.00 O ATOM 629 CG2 THR A 40 0.515 2.872 -18.144 1.00 0.00 C ATOM 0 H THR A 40 3.539 0.234 -18.585 1.00 0.00 H new ATOM 0 HA THR A 40 2.467 2.000 -16.583 1.00 0.00 H new ATOM 0 HB THR A 40 1.089 1.059 -19.116 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.163 2.880 -20.130 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.078 3.308 -19.042 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.266 2.383 -17.561 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.976 3.658 -17.546 1.00 0.00 H new ATOM 637 N PRO A 41 0.947 -0.920 -17.231 1.00 0.00 N ATOM 638 CA PRO A 41 -0.005 -1.890 -16.681 1.00 0.00 C ATOM 639 C PRO A 41 0.513 -2.554 -15.409 1.00 0.00 C ATOM 640 O PRO A 41 -0.219 -3.277 -14.733 1.00 0.00 O ATOM 641 CB PRO A 41 -0.162 -2.936 -17.797 1.00 0.00 C ATOM 642 CG PRO A 41 0.502 -2.349 -18.998 1.00 0.00 C ATOM 643 CD PRO A 41 1.550 -1.413 -18.477 1.00 0.00 C ATOM 0 HA PRO A 41 -0.942 -1.410 -16.399 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.302 -3.881 -17.516 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.214 -3.144 -17.994 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.948 -3.128 -19.617 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.218 -1.820 -19.622 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.496 -1.924 -18.296 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.754 -0.603 -19.177 1.00 0.00 H new ATOM 651 N TYR A 42 1.778 -2.303 -15.088 1.00 0.00 N ATOM 652 CA TYR A 42 2.393 -2.882 -13.898 1.00 0.00 C ATOM 653 C TYR A 42 2.088 -2.044 -12.659 1.00 0.00 C ATOM 654 O TYR A 42 1.763 -2.584 -11.601 1.00 0.00 O ATOM 655 CB TYR A 42 3.907 -3.005 -14.088 1.00 0.00 C ATOM 656 CG TYR A 42 4.331 -4.278 -14.790 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.678 -4.718 -15.935 1.00 0.00 C ATOM 658 CD2 TYR A 42 5.388 -5.040 -14.305 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.066 -5.880 -16.576 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.781 -6.201 -14.940 1.00 0.00 C ATOM 661 CZ TYR A 42 5.117 -6.617 -16.075 1.00 0.00 C ATOM 662 OH TYR A 42 5.507 -7.774 -16.711 1.00 0.00 O ATOM 0 H TYR A 42 2.397 -1.704 -15.634 1.00 0.00 H new ATOM 0 HA TYR A 42 1.971 -3.876 -13.751 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.263 -2.149 -14.661 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.392 -2.960 -13.113 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.854 -4.143 -16.331 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.910 -4.718 -13.416 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.548 -6.208 -17.465 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.604 -6.781 -14.550 1.00 0.00 H new ATOM 0 HH TYR A 42 6.263 -8.173 -16.231 1.00 0.00 H new ATOM 672 N PHE A 43 2.194 -0.726 -12.797 1.00 0.00 N ATOM 673 CA PHE A 43 1.927 0.180 -11.684 1.00 0.00 C ATOM 674 C PHE A 43 0.467 0.086 -11.251 1.00 0.00 C ATOM 675 O PHE A 43 0.139 0.305 -10.083 1.00 0.00 O ATOM 676 CB PHE A 43 2.267 1.621 -12.075 1.00 0.00 C ATOM 677 CG PHE A 43 3.674 2.020 -11.727 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.076 2.104 -10.404 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.592 2.313 -12.724 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.368 2.472 -10.081 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.886 2.681 -12.406 1.00 0.00 C ATOM 682 CZ PHE A 43 6.274 2.761 -11.082 1.00 0.00 C ATOM 0 H PHE A 43 2.462 -0.262 -13.665 1.00 0.00 H new ATOM 0 HA PHE A 43 2.558 -0.116 -10.845 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.118 1.743 -13.148 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.572 2.298 -11.578 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.372 1.879 -9.616 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.293 2.253 -13.760 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.669 2.534 -9.046 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.593 2.906 -13.191 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.284 3.049 -10.831 1.00 0.00 H new ATOM 692 N MET A 44 -0.405 -0.240 -12.199 1.00 0.00 N ATOM 693 CA MET A 44 -1.829 -0.371 -11.914 1.00 0.00 C ATOM 694 C MET A 44 -2.077 -1.551 -10.981 1.00 0.00 C ATOM 695 O MET A 44 -2.997 -1.528 -10.162 1.00 0.00 O ATOM 696 CB MET A 44 -2.618 -0.553 -13.211 1.00 0.00 C ATOM 697 CG MET A 44 -2.669 0.699 -14.073 1.00 0.00 C ATOM 698 SD MET A 44 -3.695 0.492 -15.540 1.00 0.00 S ATOM 699 CE MET A 44 -3.588 2.127 -16.262 1.00 0.00 C ATOM 0 H MET A 44 -0.151 -0.418 -13.171 1.00 0.00 H new ATOM 0 HA MET A 44 -2.167 0.542 -11.423 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.171 -1.363 -13.788 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.636 -0.858 -12.968 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.054 1.528 -13.480 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.657 0.967 -14.377 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.174 2.158 -17.181 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.978 2.862 -15.558 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.547 2.358 -16.488 1.00 0.00 H new ATOM 709 N LYS A 45 -1.245 -2.580 -11.113 1.00 0.00 N ATOM 710 CA LYS A 45 -1.361 -3.770 -10.282 1.00 0.00 C ATOM 711 C LYS A 45 -0.820 -3.500 -8.883 1.00 0.00 C ATOM 712 O LYS A 45 -1.243 -4.127 -7.909 1.00 0.00 O ATOM 713 CB LYS A 45 -0.609 -4.941 -10.918 1.00 0.00 C ATOM 714 CG LYS A 45 -1.332 -6.272 -10.788 1.00 0.00 C ATOM 715 CD LYS A 45 -1.470 -6.965 -12.134 1.00 0.00 C ATOM 716 CE LYS A 45 -2.513 -8.070 -12.087 1.00 0.00 C ATOM 717 NZ LYS A 45 -2.109 -9.177 -11.176 1.00 0.00 N ATOM 0 H LYS A 45 -0.482 -2.612 -11.789 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.416 -4.031 -10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.447 -4.727 -11.974 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.374 -5.025 -10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.787 -6.918 -10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.320 -6.110 -10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.747 -6.234 -12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.508 -7.384 -12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.465 -7.656 -11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.669 -8.465 -13.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.831 -9.926 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.196 -9.567 -11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.018 -8.813 -10.206 1.00 0.00 H new ATOM 731 N SER A 46 0.114 -2.556 -8.786 1.00 0.00 N ATOM 732 CA SER A 46 0.707 -2.201 -7.504 1.00 0.00 C ATOM 733 C SER A 46 -0.329 -1.514 -6.626 1.00 0.00 C ATOM 734 O SER A 46 -0.538 -1.902 -5.477 1.00 0.00 O ATOM 735 CB SER A 46 1.915 -1.286 -7.709 1.00 0.00 C ATOM 736 OG SER A 46 2.561 -1.563 -8.940 1.00 0.00 O ATOM 0 H SER A 46 0.474 -2.026 -9.579 1.00 0.00 H new ATOM 0 HA SER A 46 1.044 -3.112 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.594 -0.245 -7.689 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.619 -1.418 -6.887 1.00 0.00 H new ATOM 0 HG SER A 46 3.414 -1.081 -8.978 1.00 0.00 H new ATOM 742 N ILE A 47 -0.966 -0.481 -7.172 1.00 0.00 N ATOM 743 CA ILE A 47 -1.999 0.247 -6.448 1.00 0.00 C ATOM 744 C ILE A 47 -3.136 -0.693 -6.068 1.00 0.00 C ATOM 745 O ILE A 47 -3.671 -0.625 -4.960 1.00 0.00 O ATOM 746 CB ILE A 47 -2.562 1.413 -7.284 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.422 2.263 -7.848 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.499 2.267 -6.441 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.787 2.995 -9.120 1.00 0.00 C ATOM 0 H ILE A 47 -0.784 -0.131 -8.113 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.541 0.657 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.130 1.000 -8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.115 2.989 -7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.562 1.621 -8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.888 3.086 -7.046 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.327 1.655 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.954 2.673 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.932 3.577 -9.463 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.066 2.273 -9.888 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.627 3.663 -8.927 1.00 0.00 H new ATOM 761 N ASP A 48 -3.503 -1.571 -7.000 1.00 0.00 N ATOM 762 CA ASP A 48 -4.566 -2.536 -6.754 1.00 0.00 C ATOM 763 C ASP A 48 -4.182 -3.445 -5.594 1.00 0.00 C ATOM 764 O ASP A 48 -5.042 -4.014 -4.916 1.00 0.00 O ATOM 765 CB ASP A 48 -4.834 -3.371 -8.007 1.00 0.00 C ATOM 766 CG ASP A 48 -5.974 -2.816 -8.840 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.143 -3.112 -8.517 1.00 0.00 O ATOM 768 OD2 ASP A 48 -5.697 -2.086 -9.815 1.00 0.00 O ATOM 0 H ASP A 48 -3.081 -1.632 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.476 -1.994 -6.498 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.930 -3.410 -8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.066 -4.395 -7.715 1.00 0.00 H new ATOM 773 N CYS A 49 -2.877 -3.568 -5.372 1.00 0.00 N ATOM 774 CA CYS A 49 -2.353 -4.394 -4.295 1.00 0.00 C ATOM 775 C CYS A 49 -2.327 -3.612 -2.987 1.00 0.00 C ATOM 776 O CYS A 49 -2.788 -4.099 -1.953 1.00 0.00 O ATOM 777 CB CYS A 49 -0.947 -4.890 -4.637 1.00 0.00 C ATOM 778 SG CYS A 49 -0.917 -6.463 -5.529 1.00 0.00 S ATOM 0 H CYS A 49 -2.161 -3.102 -5.929 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.009 -5.256 -4.175 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.443 -4.134 -5.238 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.376 -4.997 -3.714 1.00 0.00 H new ATOM 0 HG CYS A 49 0.314 -6.799 -5.775 1.00 0.00 H new ATOM 784 N ILE A 50 -1.788 -2.393 -3.038 1.00 0.00 N ATOM 785 CA ILE A 50 -1.710 -1.543 -1.854 1.00 0.00 C ATOM 786 C ILE A 50 -3.103 -1.234 -1.323 1.00 0.00 C ATOM 787 O ILE A 50 -3.277 -0.920 -0.147 1.00 0.00 O ATOM 788 CB ILE A 50 -0.970 -0.220 -2.158 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.409 0.392 -0.871 1.00 0.00 C ATOM 790 CG2 ILE A 50 -1.891 0.769 -2.860 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.639 1.455 -1.117 1.00 0.00 C ATOM 0 H ILE A 50 -1.401 -1.975 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.148 -2.090 -1.097 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.138 -0.444 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.228 0.826 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.024 -0.400 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.347 1.692 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.239 0.339 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.747 0.986 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.993 1.845 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.476 1.021 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.205 2.266 -1.702 1.00 0.00 H new ATOM 803 N ARG A 51 -4.092 -1.329 -2.206 1.00 0.00 N ATOM 804 CA ARG A 51 -5.475 -1.070 -1.834 1.00 0.00 C ATOM 805 C ARG A 51 -6.032 -2.246 -1.043 1.00 0.00 C ATOM 806 O ARG A 51 -6.539 -2.080 0.067 1.00 0.00 O ATOM 807 CB ARG A 51 -6.328 -0.825 -3.081 1.00 0.00 C ATOM 808 CG ARG A 51 -6.193 0.581 -3.643 1.00 0.00 C ATOM 809 CD ARG A 51 -7.546 1.261 -3.771 1.00 0.00 C ATOM 810 NE ARG A 51 -8.119 1.094 -5.104 1.00 0.00 N ATOM 811 CZ ARG A 51 -7.742 1.804 -6.164 1.00 0.00 C ATOM 812 NH1 ARG A 51 -6.793 2.725 -6.046 1.00 0.00 N ATOM 813 NH2 ARG A 51 -8.311 1.592 -7.342 1.00 0.00 N ATOM 0 H ARG A 51 -3.959 -1.584 -3.185 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.506 -0.176 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.047 -1.544 -3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.374 -1.011 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.547 1.173 -2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.712 0.539 -4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.230 0.850 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.440 2.324 -3.553 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.850 0.393 -5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.351 2.889 -5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.505 3.268 -6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.039 0.884 -7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.021 2.137 -8.154 1.00 0.00 H new ATOM 827 N ALA A 52 -5.938 -3.436 -1.627 1.00 0.00 N ATOM 828 CA ALA A 52 -6.422 -4.644 -0.970 1.00 0.00 C ATOM 829 C ALA A 52 -5.674 -4.882 0.338 1.00 0.00 C ATOM 830 O ALA A 52 -6.222 -5.444 1.288 1.00 0.00 O ATOM 831 CB ALA A 52 -6.270 -5.844 -1.893 1.00 0.00 C ATOM 0 H ALA A 52 -5.533 -3.589 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.479 -4.511 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.635 -6.739 -1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.847 -5.679 -2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.219 -5.975 -2.149 1.00 0.00 H new ATOM 837 N PHE A 53 -4.418 -4.446 0.375 1.00 0.00 N ATOM 838 CA PHE A 53 -3.581 -4.603 1.557 1.00 0.00 C ATOM 839 C PHE A 53 -4.011 -3.655 2.673 1.00 0.00 C ATOM 840 O PHE A 53 -4.333 -4.091 3.778 1.00 0.00 O ATOM 841 CB PHE A 53 -2.115 -4.351 1.201 1.00 0.00 C ATOM 842 CG PHE A 53 -1.145 -4.896 2.211 1.00 0.00 C ATOM 843 CD1 PHE A 53 -0.895 -4.213 3.392 1.00 0.00 C ATOM 844 CD2 PHE A 53 -0.481 -6.090 1.979 1.00 0.00 C ATOM 845 CE1 PHE A 53 -0.003 -4.712 4.321 1.00 0.00 C ATOM 846 CE2 PHE A 53 0.412 -6.593 2.905 1.00 0.00 C ATOM 847 CZ PHE A 53 0.652 -5.904 4.078 1.00 0.00 C ATOM 0 H PHE A 53 -3.957 -3.979 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.698 -5.626 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.904 -4.799 0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.955 -3.278 1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.404 -3.280 3.587 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.664 -6.633 1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.182 -4.171 5.237 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.923 -7.525 2.712 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.350 -6.296 4.803 1.00 0.00 H new ATOM 857 N ARG A 54 -4.013 -2.357 2.379 1.00 0.00 N ATOM 858 CA ARG A 54 -4.394 -1.352 3.368 1.00 0.00 C ATOM 859 C ARG A 54 -5.818 -1.571 3.863 1.00 0.00 C ATOM 860 O ARG A 54 -6.131 -1.301 5.019 1.00 0.00 O ATOM 861 CB ARG A 54 -4.249 0.056 2.791 1.00 0.00 C ATOM 862 CG ARG A 54 -5.234 0.370 1.680 1.00 0.00 C ATOM 863 CD ARG A 54 -6.111 1.561 2.031 1.00 0.00 C ATOM 864 NE ARG A 54 -6.822 2.079 0.866 1.00 0.00 N ATOM 865 CZ ARG A 54 -8.064 2.553 0.911 1.00 0.00 C ATOM 866 NH1 ARG A 54 -8.730 2.574 2.058 1.00 0.00 N ATOM 867 NH2 ARG A 54 -8.642 3.008 -0.193 1.00 0.00 N ATOM 0 H ARG A 54 -3.756 -1.978 1.468 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.720 -1.456 4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.378 0.782 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.235 0.179 2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.690 0.577 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.861 -0.501 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.831 1.268 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.495 2.351 2.460 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.339 2.077 -0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.290 2.226 2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.682 2.938 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.134 2.995 -1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.594 3.371 -0.157 1.00 0.00 H new ATOM 881 N GLU A 55 -6.681 -2.063 2.985 1.00 0.00 N ATOM 882 CA GLU A 55 -8.069 -2.312 3.349 1.00 0.00 C ATOM 883 C GLU A 55 -8.168 -3.430 4.380 1.00 0.00 C ATOM 884 O GLU A 55 -8.678 -3.229 5.482 1.00 0.00 O ATOM 885 CB GLU A 55 -8.887 -2.675 2.108 1.00 0.00 C ATOM 886 CG GLU A 55 -9.647 -1.499 1.514 1.00 0.00 C ATOM 887 CD GLU A 55 -10.571 -1.911 0.386 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.081 -2.078 -0.751 1.00 0.00 O ATOM 889 OE2 GLU A 55 -11.784 -2.067 0.638 1.00 0.00 O ATOM 0 H GLU A 55 -6.446 -2.297 2.020 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.472 -1.399 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.219 -3.085 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.596 -3.461 2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.230 -1.015 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.935 -0.761 1.144 1.00 0.00 H new ATOM 896 N GLU A 56 -7.661 -4.602 4.017 1.00 0.00 N ATOM 897 CA GLU A 56 -7.704 -5.765 4.900 1.00 0.00 C ATOM 898 C GLU A 56 -6.836 -5.575 6.142 1.00 0.00 C ATOM 899 O GLU A 56 -7.080 -6.201 7.177 1.00 0.00 O ATOM 900 CB GLU A 56 -7.252 -7.016 4.143 1.00 0.00 C ATOM 901 CG GLU A 56 -8.250 -7.487 3.097 1.00 0.00 C ATOM 902 CD GLU A 56 -8.884 -8.818 3.454 1.00 0.00 C ATOM 903 OE1 GLU A 56 -8.234 -9.862 3.235 1.00 0.00 O ATOM 904 OE2 GLU A 56 -10.029 -8.816 3.952 1.00 0.00 O ATOM 0 H GLU A 56 -7.214 -4.774 3.116 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.736 -5.884 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.298 -6.812 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.080 -7.821 4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.031 -6.736 2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.747 -7.575 2.134 1.00 0.00 H new ATOM 911 N ALA A 57 -5.829 -4.711 6.048 1.00 0.00 N ATOM 912 CA ALA A 57 -4.925 -4.472 7.169 1.00 0.00 C ATOM 913 C ALA A 57 -5.456 -3.392 8.107 1.00 0.00 C ATOM 914 O ALA A 57 -5.712 -3.650 9.285 1.00 0.00 O ATOM 915 CB ALA A 57 -3.544 -4.090 6.657 1.00 0.00 C ATOM 0 H ALA A 57 -5.619 -4.167 5.211 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.855 -5.398 7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.878 -3.914 7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.146 -4.899 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.616 -3.183 6.057 1.00 0.00 H new ATOM 921 N ILE A 58 -5.619 -2.182 7.577 1.00 0.00 N ATOM 922 CA ILE A 58 -6.104 -1.057 8.370 1.00 0.00 C ATOM 923 C ILE A 58 -7.428 -1.389 9.049 1.00 0.00 C ATOM 924 O ILE A 58 -7.646 -1.034 10.209 1.00 0.00 O ATOM 925 CB ILE A 58 -6.281 0.212 7.510 1.00 0.00 C ATOM 926 CG1 ILE A 58 -4.951 0.607 6.860 1.00 0.00 C ATOM 927 CG2 ILE A 58 -6.832 1.356 8.352 1.00 0.00 C ATOM 928 CD1 ILE A 58 -3.896 1.063 7.846 1.00 0.00 C ATOM 0 H ILE A 58 -5.422 -1.956 6.602 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.348 -0.864 9.131 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.998 -0.003 6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.566 -0.244 6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.132 1.407 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.950 2.242 7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.800 1.071 8.765 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.141 1.574 9.166 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.985 1.325 7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.259 1.935 8.390 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.684 0.258 8.550 1.00 0.00 H new ATOM 940 N LYS A 59 -8.310 -2.066 8.321 1.00 0.00 N ATOM 941 CA LYS A 59 -9.611 -2.443 8.862 1.00 0.00 C ATOM 942 C LYS A 59 -9.458 -3.180 10.186 1.00 0.00 C ATOM 943 O LYS A 59 -10.146 -2.869 11.159 1.00 0.00 O ATOM 944 CB LYS A 59 -10.376 -3.317 7.866 1.00 0.00 C ATOM 945 CG LYS A 59 -11.267 -2.526 6.922 1.00 0.00 C ATOM 946 CD LYS A 59 -12.734 -2.655 7.300 1.00 0.00 C ATOM 947 CE LYS A 59 -13.590 -1.632 6.572 1.00 0.00 C ATOM 948 NZ LYS A 59 -14.945 -1.511 7.176 1.00 0.00 N ATOM 0 H LYS A 59 -8.149 -2.364 7.359 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.177 -1.528 9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.662 -3.895 7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.988 -4.031 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.977 -1.476 6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.121 -2.879 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.085 -3.659 7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.846 -2.525 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.094 -0.662 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.684 -1.917 5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.497 -0.803 6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.428 -2.431 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.857 -1.214 8.169 1.00 0.00 H new ATOM 962 N PHE A 60 -8.550 -4.156 10.223 1.00 0.00 N ATOM 963 CA PHE A 60 -8.322 -4.928 11.443 1.00 0.00 C ATOM 964 C PHE A 60 -7.131 -5.871 11.298 1.00 0.00 C ATOM 965 O PHE A 60 -7.296 -7.051 10.992 1.00 0.00 O ATOM 966 CB PHE A 60 -9.574 -5.731 11.826 1.00 0.00 C ATOM 967 CG PHE A 60 -10.430 -6.145 10.657 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.001 -7.121 9.772 1.00 0.00 C ATOM 969 CD2 PHE A 60 -11.669 -5.558 10.450 1.00 0.00 C ATOM 970 CE1 PHE A 60 -10.788 -7.503 8.703 1.00 0.00 C ATOM 971 CE2 PHE A 60 -12.461 -5.936 9.382 1.00 0.00 C ATOM 972 CZ PHE A 60 -12.020 -6.910 8.507 1.00 0.00 C ATOM 0 H PHE A 60 -7.967 -4.428 9.432 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.100 -4.214 12.236 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.266 -6.624 12.369 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.178 -5.135 12.510 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.039 -7.589 9.920 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -12.019 -4.797 11.131 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.440 -8.265 8.021 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -13.424 -5.470 9.232 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.637 -7.207 7.672 1.00 0.00 H new ATOM 982 N SER A 61 -5.931 -5.347 11.530 1.00 0.00 N ATOM 983 CA SER A 61 -4.722 -6.157 11.431 1.00 0.00 C ATOM 984 C SER A 61 -3.497 -5.401 11.929 1.00 0.00 C ATOM 985 O SER A 61 -3.248 -5.331 13.133 1.00 0.00 O ATOM 986 CB SER A 61 -4.506 -6.624 9.989 1.00 0.00 C ATOM 987 OG SER A 61 -3.556 -7.673 9.933 1.00 0.00 O ATOM 0 H SER A 61 -5.770 -4.373 11.786 1.00 0.00 H new ATOM 0 HA SER A 61 -4.858 -7.029 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.452 -6.962 9.567 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.166 -5.787 9.379 1.00 0.00 H new ATOM 0 HG SER A 61 -3.376 -7.902 8.997 1.00 0.00 H new ATOM 993 N GLU A 62 -2.733 -4.838 11.001 1.00 0.00 N ATOM 994 CA GLU A 62 -1.526 -4.103 11.356 1.00 0.00 C ATOM 995 C GLU A 62 -1.500 -2.737 10.684 1.00 0.00 C ATOM 996 O GLU A 62 -0.671 -2.478 9.813 1.00 0.00 O ATOM 997 CB GLU A 62 -0.284 -4.904 10.961 1.00 0.00 C ATOM 998 CG GLU A 62 0.086 -5.985 11.964 1.00 0.00 C ATOM 999 CD GLU A 62 1.386 -6.683 11.615 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.460 -6.087 11.841 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.330 -7.827 11.116 1.00 0.00 O ATOM 0 H GLU A 62 -2.927 -4.876 10.000 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.527 -3.953 12.436 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.453 -5.365 9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.558 -4.221 10.848 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.171 -5.541 12.956 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.716 -6.721 12.012 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.428 -1.875 11.080 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.507 -0.524 10.528 1.00 0.00 C ATOM 1010 C GLU A 63 -1.158 0.197 10.602 1.00 0.00 C ATOM 1011 O GLU A 63 -0.810 0.971 9.709 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.570 0.287 11.271 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.433 0.230 12.784 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.716 0.605 13.500 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.547 -0.296 13.739 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.890 1.799 13.820 1.00 0.00 O ATOM 0 H GLU A 63 -3.138 -2.085 11.782 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.784 -0.612 9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.513 1.327 10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.557 -0.080 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.136 -0.776 13.081 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.636 0.903 13.099 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.402 -0.063 11.667 1.00 0.00 N ATOM 1024 CA GLN A 64 0.903 0.571 11.855 1.00 0.00 C ATOM 1025 C GLN A 64 1.892 0.125 10.783 1.00 0.00 C ATOM 1026 O GLN A 64 2.903 0.787 10.539 1.00 0.00 O ATOM 1027 CB GLN A 64 1.457 0.242 13.241 1.00 0.00 C ATOM 1028 CG GLN A 64 2.490 1.242 13.737 1.00 0.00 C ATOM 1029 CD GLN A 64 3.042 0.885 15.103 1.00 0.00 C ATOM 1030 OE1 GLN A 64 4.079 0.230 15.216 1.00 0.00 O ATOM 1031 NE2 GLN A 64 2.351 1.316 16.152 1.00 0.00 N ATOM 0 H GLN A 64 -0.669 -0.707 12.412 1.00 0.00 H new ATOM 0 HA GLN A 64 0.767 1.649 11.769 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.632 0.201 13.952 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.907 -0.751 13.217 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.310 1.296 13.021 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.039 2.233 13.780 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.497 1.856 16.013 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.675 1.107 17.097 1.00 0.00 H new ATOM 1040 N ARG A 65 1.594 -1.000 10.144 1.00 0.00 N ATOM 1041 CA ARG A 65 2.453 -1.530 9.094 1.00 0.00 C ATOM 1042 C ARG A 65 2.290 -0.708 7.821 1.00 0.00 C ATOM 1043 O ARG A 65 3.171 -0.694 6.957 1.00 0.00 O ATOM 1044 CB ARG A 65 2.121 -2.999 8.820 1.00 0.00 C ATOM 1045 CG ARG A 65 2.879 -3.584 7.639 1.00 0.00 C ATOM 1046 CD ARG A 65 2.467 -5.021 7.366 1.00 0.00 C ATOM 1047 NE ARG A 65 3.622 -5.904 7.228 1.00 0.00 N ATOM 1048 CZ ARG A 65 3.646 -7.161 7.661 1.00 0.00 C ATOM 1049 NH1 ARG A 65 2.582 -7.681 8.257 1.00 0.00 N ATOM 1050 NH2 ARG A 65 4.735 -7.899 7.496 1.00 0.00 N ATOM 0 H ARG A 65 0.764 -1.562 10.335 1.00 0.00 H new ATOM 0 HA ARG A 65 3.489 -1.466 9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.344 -3.586 9.711 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.051 -3.093 8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.696 -2.978 6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.950 -3.543 7.837 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.833 -5.377 8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.870 -5.060 6.455 1.00 0.00 H new ATOM 0 HE ARG A 65 4.458 -5.536 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.742 -7.117 8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.603 -8.646 8.588 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.555 -7.503 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.753 -8.863 7.828 1.00 0.00 H new ATOM 1064 N PHE A 66 1.165 -0.006 7.722 1.00 0.00 N ATOM 1065 CA PHE A 66 0.890 0.821 6.558 1.00 0.00 C ATOM 1066 C PHE A 66 1.503 2.201 6.738 1.00 0.00 C ATOM 1067 O PHE A 66 2.181 2.705 5.845 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.613 0.940 6.303 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.935 1.318 4.885 1.00 0.00 C ATOM 1070 CD1 PHE A 66 -0.476 0.545 3.831 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -1.687 2.447 4.606 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.760 0.892 2.525 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -1.973 2.800 3.301 1.00 0.00 C ATOM 1074 CZ PHE A 66 -1.510 2.021 2.258 1.00 0.00 C ATOM 0 H PHE A 66 0.433 0.005 8.432 1.00 0.00 H new ATOM 0 HA PHE A 66 1.341 0.340 5.690 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.093 -0.010 6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.033 1.686 6.977 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.111 -0.339 4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.054 3.058 5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.396 0.281 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.558 3.684 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.734 2.294 1.237 1.00 0.00 H new ATOM 1084 N ASN A 67 1.262 2.814 7.897 1.00 0.00 N ATOM 1085 CA ASN A 67 1.830 4.125 8.179 1.00 0.00 C ATOM 1086 C ASN A 67 3.346 4.009 8.208 1.00 0.00 C ATOM 1087 O ASN A 67 4.067 5.001 8.090 1.00 0.00 O ATOM 1088 CB ASN A 67 1.313 4.689 9.506 1.00 0.00 C ATOM 1089 CG ASN A 67 1.025 3.629 10.537 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.941 3.120 11.180 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.251 3.306 10.714 1.00 0.00 N ATOM 0 H ASN A 67 0.685 2.428 8.644 1.00 0.00 H new ATOM 0 HA ASN A 67 1.524 4.816 7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.050 5.385 9.908 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.403 5.260 9.319 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.508 2.606 11.410 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.974 3.758 10.154 1.00 0.00 H new ATOM 1098 N ASN A 68 3.816 2.774 8.363 1.00 0.00 N ATOM 1099 CA ASN A 68 5.246 2.500 8.389 1.00 0.00 C ATOM 1100 C ASN A 68 5.802 2.539 6.970 1.00 0.00 C ATOM 1101 O ASN A 68 6.717 3.308 6.668 1.00 0.00 O ATOM 1102 CB ASN A 68 5.522 1.136 9.026 1.00 0.00 C ATOM 1103 CG ASN A 68 7.004 0.825 9.114 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.689 1.270 10.036 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.507 0.061 8.153 1.00 0.00 N ATOM 0 H ASN A 68 3.226 1.949 8.472 1.00 0.00 H new ATOM 0 HA ASN A 68 5.739 3.264 8.990 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.089 1.111 10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.025 0.360 8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.498 -0.180 8.159 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.902 -0.286 7.408 1.00 0.00 H new ATOM 1112 N PHE A 69 5.239 1.701 6.106 1.00 0.00 N ATOM 1113 CA PHE A 69 5.657 1.638 4.708 1.00 0.00 C ATOM 1114 C PHE A 69 5.400 2.965 3.995 1.00 0.00 C ATOM 1115 O PHE A 69 6.156 3.356 3.105 1.00 0.00 O ATOM 1116 CB PHE A 69 4.920 0.509 3.985 1.00 0.00 C ATOM 1117 CG PHE A 69 5.710 -0.097 2.861 1.00 0.00 C ATOM 1118 CD1 PHE A 69 6.649 -1.086 3.110 1.00 0.00 C ATOM 1119 CD2 PHE A 69 5.515 0.321 1.554 1.00 0.00 C ATOM 1120 CE1 PHE A 69 7.378 -1.645 2.078 1.00 0.00 C ATOM 1121 CE2 PHE A 69 6.241 -0.234 0.518 1.00 0.00 C ATOM 1122 CZ PHE A 69 7.173 -1.219 0.780 1.00 0.00 C ATOM 0 H PHE A 69 4.489 1.053 6.349 1.00 0.00 H new ATOM 0 HA PHE A 69 6.729 1.439 4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.670 -0.271 4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.979 0.893 3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.813 -1.424 4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.787 1.090 1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.107 -2.414 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.080 0.102 -0.496 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.741 -1.655 -0.029 1.00 0.00 H new ATOM 1132 N LEU A 70 4.328 3.648 4.386 1.00 0.00 N ATOM 1133 CA LEU A 70 3.977 4.932 3.783 1.00 0.00 C ATOM 1134 C LEU A 70 5.041 5.980 4.094 1.00 0.00 C ATOM 1135 O LEU A 70 5.547 6.654 3.195 1.00 0.00 O ATOM 1136 CB LEU A 70 2.610 5.415 4.285 1.00 0.00 C ATOM 1137 CG LEU A 70 1.383 4.759 3.637 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.122 5.532 3.996 1.00 0.00 C ATOM 1139 CD2 LEU A 70 1.538 4.675 2.124 1.00 0.00 C ATOM 0 H LEU A 70 3.688 3.336 5.116 1.00 0.00 H new ATOM 0 HA LEU A 70 3.924 4.791 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.561 5.247 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.547 6.492 4.127 1.00 0.00 H new ATOM 0 HG LEU A 70 1.299 3.743 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.741 5.057 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.006 5.536 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.209 6.557 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.653 4.206 1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.653 5.678 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.419 4.081 1.881 1.00 0.00 H new ATOM 1151 N LYS A 71 5.371 6.115 5.376 1.00 0.00 N ATOM 1152 CA LYS A 71 6.379 7.075 5.810 1.00 0.00 C ATOM 1153 C LYS A 71 7.676 6.877 5.035 1.00 0.00 C ATOM 1154 O LYS A 71 8.288 7.841 4.569 1.00 0.00 O ATOM 1155 CB LYS A 71 6.639 6.935 7.310 1.00 0.00 C ATOM 1156 CG LYS A 71 5.951 7.999 8.148 1.00 0.00 C ATOM 1157 CD LYS A 71 6.434 7.972 9.589 1.00 0.00 C ATOM 1158 CE LYS A 71 5.488 8.730 10.507 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.999 10.091 10.829 1.00 0.00 N ATOM 0 H LYS A 71 4.954 5.571 6.132 1.00 0.00 H new ATOM 0 HA LYS A 71 6.003 8.078 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.302 5.952 7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.713 6.981 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.142 8.982 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.873 7.843 8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.520 6.939 9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.430 8.411 9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.510 8.812 10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.349 8.167 11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.326 10.575 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.921 10.012 11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.108 10.638 9.951 1.00 0.00 H new ATOM 1173 N ALA A 72 8.092 5.621 4.903 1.00 0.00 N ATOM 1174 CA ALA A 72 9.311 5.296 4.175 1.00 0.00 C ATOM 1175 C ALA A 72 9.143 5.590 2.689 1.00 0.00 C ATOM 1176 O ALA A 72 10.036 6.148 2.051 1.00 0.00 O ATOM 1177 CB ALA A 72 9.684 3.837 4.390 1.00 0.00 C ATOM 0 H ALA A 72 7.603 4.814 5.290 1.00 0.00 H new ATOM 0 HA ALA A 72 10.118 5.920 4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.597 3.610 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.846 3.656 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.876 3.198 4.032 1.00 0.00 H new ATOM 1183 N LEU A 73 7.988 5.204 2.149 1.00 0.00 N ATOM 1184 CA LEU A 73 7.682 5.429 0.740 1.00 0.00 C ATOM 1185 C LEU A 73 7.931 6.884 0.367 1.00 0.00 C ATOM 1186 O LEU A 73 8.465 7.179 -0.699 1.00 0.00 O ATOM 1187 CB LEU A 73 6.227 5.053 0.446 1.00 0.00 C ATOM 1188 CG LEU A 73 5.795 5.225 -1.012 1.00 0.00 C ATOM 1189 CD1 LEU A 73 5.756 3.879 -1.718 1.00 0.00 C ATOM 1190 CD2 LEU A 73 4.439 5.910 -1.087 1.00 0.00 C ATOM 0 H LEU A 73 7.248 4.733 2.669 1.00 0.00 H new ATOM 0 HA LEU A 73 8.337 4.798 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.071 4.014 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.577 5.660 1.076 1.00 0.00 H new ATOM 0 HG LEU A 73 6.526 5.855 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.447 4.020 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.747 3.427 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.046 3.224 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.147 6.025 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.697 5.305 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.501 6.892 -0.618 1.00 0.00 H new ATOM 1202 N GLN A 74 7.523 7.788 1.250 1.00 0.00 N ATOM 1203 CA GLN A 74 7.716 9.215 1.027 1.00 0.00 C ATOM 1204 C GLN A 74 9.204 9.551 1.014 1.00 0.00 C ATOM 1205 O GLN A 74 9.699 10.230 0.108 1.00 0.00 O ATOM 1206 CB GLN A 74 7.008 10.028 2.111 1.00 0.00 C ATOM 1207 CG GLN A 74 6.623 11.430 1.669 1.00 0.00 C ATOM 1208 CD GLN A 74 7.599 12.484 2.153 1.00 0.00 C ATOM 1209 OE1 GLN A 74 8.306 13.103 1.358 1.00 0.00 O ATOM 1210 NE2 GLN A 74 7.644 12.691 3.464 1.00 0.00 N ATOM 0 H GLN A 74 7.056 7.558 2.127 1.00 0.00 H new ATOM 0 HA GLN A 74 7.285 9.473 0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.110 9.496 2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.658 10.097 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.570 11.462 0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.626 11.664 2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.039 12.155 4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.283 13.387 3.849 1.00 0.00 H new ATOM 1219 N GLU A 75 9.911 9.073 2.030 1.00 0.00 N ATOM 1220 CA GLU A 75 11.346 9.315 2.140 1.00 0.00 C ATOM 1221 C GLU A 75 12.101 8.712 0.957 1.00 0.00 C ATOM 1222 O GLU A 75 13.157 9.212 0.566 1.00 0.00 O ATOM 1223 CB GLU A 75 11.881 8.732 3.450 1.00 0.00 C ATOM 1224 CG GLU A 75 11.832 9.709 4.614 1.00 0.00 C ATOM 1225 CD GLU A 75 13.194 10.282 4.952 1.00 0.00 C ATOM 1226 OE1 GLU A 75 14.016 9.552 5.546 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.441 11.462 4.624 1.00 0.00 O ATOM 0 H GLU A 75 9.517 8.517 2.789 1.00 0.00 H new ATOM 0 HA GLU A 75 11.506 10.393 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.302 7.845 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.911 8.409 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.149 10.523 4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.427 9.204 5.491 1.00 0.00 H new ATOM 1234 N LYS A 76 11.542 7.650 0.380 1.00 0.00 N ATOM 1235 CA LYS A 76 12.168 6.970 -0.749 1.00 0.00 C ATOM 1236 C LYS A 76 11.867 7.703 -2.046 1.00 0.00 C ATOM 1237 O LYS A 76 12.775 8.066 -2.799 1.00 0.00 O ATOM 1238 CB LYS A 76 11.669 5.526 -0.840 1.00 0.00 C ATOM 1239 CG LYS A 76 12.643 4.508 -0.270 1.00 0.00 C ATOM 1240 CD LYS A 76 12.161 3.086 -0.506 1.00 0.00 C ATOM 1241 CE LYS A 76 12.920 2.090 0.356 1.00 0.00 C ATOM 1242 NZ LYS A 76 12.324 0.727 0.283 1.00 0.00 N ATOM 0 H LYS A 76 10.655 7.242 0.677 1.00 0.00 H new ATOM 0 HA LYS A 76 13.247 6.965 -0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.720 5.444 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.473 5.283 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.622 4.643 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.766 4.679 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.095 3.021 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.286 2.828 -1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.960 2.049 0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.920 2.431 1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.870 0.077 0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.339 0.761 0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.347 0.390 -0.701 1.00 0.00 H new ATOM 1256 N VAL A 77 10.579 7.916 -2.297 1.00 0.00 N ATOM 1257 CA VAL A 77 10.139 8.609 -3.494 1.00 0.00 C ATOM 1258 C VAL A 77 10.839 9.953 -3.617 1.00 0.00 C ATOM 1259 O VAL A 77 11.060 10.450 -4.723 1.00 0.00 O ATOM 1260 CB VAL A 77 8.612 8.818 -3.500 1.00 0.00 C ATOM 1261 CG1 VAL A 77 8.187 9.753 -2.379 1.00 0.00 C ATOM 1262 CG2 VAL A 77 8.157 9.351 -4.843 1.00 0.00 C ATOM 0 H VAL A 77 9.822 7.616 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 77 10.401 7.984 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 77 8.135 7.853 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.105 9.884 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.478 9.326 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.673 10.720 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.076 9.493 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.646 10.305 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.421 8.639 -5.625 1.00 0.00 H new ATOM 1272 N GLU A 78 11.188 10.543 -2.475 1.00 0.00 N ATOM 1273 CA GLU A 78 11.885 11.819 -2.466 1.00 0.00 C ATOM 1274 C GLU A 78 13.231 11.662 -3.150 1.00 0.00 C ATOM 1275 O GLU A 78 13.598 12.453 -4.020 1.00 0.00 O ATOM 1276 CB GLU A 78 12.074 12.317 -1.032 1.00 0.00 C ATOM 1277 CG GLU A 78 11.028 13.330 -0.598 1.00 0.00 C ATOM 1278 CD GLU A 78 11.403 14.040 0.688 1.00 0.00 C ATOM 1279 OE1 GLU A 78 11.155 13.473 1.774 1.00 0.00 O ATOM 1280 OE2 GLU A 78 11.943 15.164 0.611 1.00 0.00 O ATOM 0 H GLU A 78 10.999 10.157 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 78 11.289 12.555 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.046 11.464 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.063 12.766 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.891 14.067 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.072 12.825 -0.464 1.00 0.00 H new ATOM 1287 N ILE A 79 13.968 10.630 -2.743 1.00 0.00 N ATOM 1288 CA ILE A 79 15.274 10.346 -3.337 1.00 0.00 C ATOM 1289 C ILE A 79 15.147 10.147 -4.851 1.00 0.00 C ATOM 1290 O ILE A 79 16.149 10.040 -5.561 1.00 0.00 O ATOM 1291 CB ILE A 79 15.926 9.099 -2.702 1.00 0.00 C ATOM 1292 CG1 ILE A 79 16.095 9.300 -1.197 1.00 0.00 C ATOM 1293 CG2 ILE A 79 17.273 8.801 -3.347 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.625 8.123 -0.379 1.00 0.00 C ATOM 0 H ILE A 79 13.686 9.980 -2.009 1.00 0.00 H new ATOM 0 HA ILE A 79 15.914 11.206 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 79 15.269 8.246 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.146 9.488 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.542 10.189 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.712 7.918 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.134 8.619 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.939 9.653 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.774 8.333 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.566 7.948 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.195 7.236 -0.657 1.00 0.00 H new ATOM 1306 N LYS A 80 13.902 10.102 -5.329 1.00 0.00 N ATOM 1307 CA LYS A 80 13.602 9.931 -6.747 1.00 0.00 C ATOM 1308 C LYS A 80 13.721 8.465 -7.165 1.00 0.00 C ATOM 1309 O LYS A 80 14.801 7.870 -7.121 1.00 0.00 O ATOM 1310 CB LYS A 80 14.488 10.849 -7.600 1.00 0.00 C ATOM 1311 CG LYS A 80 15.410 10.131 -8.575 1.00 0.00 C ATOM 1312 CD LYS A 80 16.012 11.095 -9.584 1.00 0.00 C ATOM 1313 CE LYS A 80 17.528 10.989 -9.619 1.00 0.00 C ATOM 1314 NZ LYS A 80 18.164 12.274 -10.024 1.00 0.00 N ATOM 0 H LYS A 80 13.073 10.184 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 80 12.566 10.224 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.846 11.527 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.095 11.463 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.208 9.634 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.853 9.354 -9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.609 10.885 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.723 12.115 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.895 10.696 -8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.821 10.203 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.198 12.161 -10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.834 12.541 -10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.905 13.019 -9.346 1.00 0.00 H new ATOM 1328 N GLN A 81 12.582 7.892 -7.544 1.00 0.00 N ATOM 1329 CA GLN A 81 12.506 6.500 -7.976 1.00 0.00 C ATOM 1330 C GLN A 81 11.070 6.128 -8.326 1.00 0.00 C ATOM 1331 O GLN A 81 10.822 5.390 -9.280 1.00 0.00 O ATOM 1332 CB GLN A 81 13.029 5.568 -6.882 1.00 0.00 C ATOM 1333 CG GLN A 81 14.334 4.879 -7.243 1.00 0.00 C ATOM 1334 CD GLN A 81 14.844 3.977 -6.137 1.00 0.00 C ATOM 1335 OE1 GLN A 81 14.687 4.276 -4.953 1.00 0.00 O ATOM 1336 NE2 GLN A 81 15.462 2.864 -6.517 1.00 0.00 N ATOM 0 H GLN A 81 11.686 8.380 -7.560 1.00 0.00 H new ATOM 0 HA GLN A 81 13.128 6.386 -8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.172 6.141 -5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.274 4.811 -6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.191 4.291 -8.149 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.088 5.633 -7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.571 2.654 -7.509 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.828 2.219 -5.816 1.00 0.00 H new ATOM 1345 N LEU A 82 10.128 6.649 -7.545 1.00 0.00 N ATOM 1346 CA LEU A 82 8.712 6.378 -7.764 1.00 0.00 C ATOM 1347 C LEU A 82 7.898 7.667 -7.702 1.00 0.00 C ATOM 1348 O LEU A 82 6.811 7.701 -7.125 1.00 0.00 O ATOM 1349 CB LEU A 82 8.194 5.385 -6.722 1.00 0.00 C ATOM 1350 CG LEU A 82 8.598 5.691 -5.280 1.00 0.00 C ATOM 1351 CD1 LEU A 82 7.413 5.510 -4.344 1.00 0.00 C ATOM 1352 CD2 LEU A 82 9.756 4.801 -4.853 1.00 0.00 C ATOM 0 H LEU A 82 10.321 7.262 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 82 8.599 5.943 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.106 5.355 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.554 4.389 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 82 8.923 6.730 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.719 5.732 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.611 6.187 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.058 4.481 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.032 5.031 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.456 3.755 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.611 4.978 -5.506 1.00 0.00 H new ATOM 1364 N ASN A 83 8.433 8.726 -8.303 1.00 0.00 N ATOM 1365 CA ASN A 83 7.759 10.020 -8.318 1.00 0.00 C ATOM 1366 C ASN A 83 6.394 9.913 -8.989 1.00 0.00 C ATOM 1367 O ASN A 83 5.544 10.791 -8.834 1.00 0.00 O ATOM 1368 CB ASN A 83 8.618 11.055 -9.046 1.00 0.00 C ATOM 1369 CG ASN A 83 8.123 12.472 -8.830 1.00 0.00 C ATOM 1370 OD1 ASN A 83 7.406 13.025 -9.665 1.00 0.00 O ATOM 1371 ND2 ASN A 83 8.505 13.067 -7.707 1.00 0.00 N ATOM 0 H ASN A 83 9.331 8.713 -8.786 1.00 0.00 H new ATOM 0 HA ASN A 83 7.613 10.339 -7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.648 10.976 -8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.623 10.833 -10.113 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.204 14.021 -7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.100 12.570 -7.043 1.00 0.00 H new ATOM 1378 N HIS A 84 6.193 8.832 -9.734 1.00 0.00 N ATOM 1379 CA HIS A 84 4.931 8.608 -10.431 1.00 0.00 C ATOM 1380 C HIS A 84 3.911 7.937 -9.516 1.00 0.00 C ATOM 1381 O HIS A 84 2.724 8.257 -9.560 1.00 0.00 O ATOM 1382 CB HIS A 84 5.148 7.750 -11.684 1.00 0.00 C ATOM 1383 CG HIS A 84 6.533 7.191 -11.808 1.00 0.00 C ATOM 1384 ND1 HIS A 84 6.943 6.045 -11.159 1.00 0.00 N ATOM 1385 CD2 HIS A 84 7.606 7.629 -12.508 1.00 0.00 C ATOM 1386 CE1 HIS A 84 8.207 5.802 -11.456 1.00 0.00 C ATOM 1387 NE2 HIS A 84 8.633 6.748 -12.272 1.00 0.00 N ATOM 0 H HIS A 84 6.887 8.097 -9.871 1.00 0.00 H new ATOM 0 HA HIS A 84 4.542 9.581 -10.731 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.434 6.926 -11.676 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.930 8.352 -12.566 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.647 8.507 -13.135 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.793 4.970 -11.093 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.572 6.814 -12.664 1.00 0.00 H new ATOM 1396 N PHE A 85 4.381 7.012 -8.683 1.00 0.00 N ATOM 1397 CA PHE A 85 3.499 6.298 -7.765 1.00 0.00 C ATOM 1398 C PHE A 85 2.851 7.253 -6.770 1.00 0.00 C ATOM 1399 O PHE A 85 1.757 6.991 -6.273 1.00 0.00 O ATOM 1400 CB PHE A 85 4.265 5.207 -7.014 1.00 0.00 C ATOM 1401 CG PHE A 85 3.378 4.116 -6.478 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.747 3.235 -7.341 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.175 3.974 -5.112 1.00 0.00 C ATOM 1404 CE1 PHE A 85 1.930 2.232 -6.854 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.357 2.971 -4.620 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.735 2.100 -5.493 1.00 0.00 C ATOM 0 H PHE A 85 5.362 6.741 -8.625 1.00 0.00 H new ATOM 0 HA PHE A 85 2.713 5.832 -8.360 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.006 4.768 -7.682 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.811 5.660 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.895 3.333 -8.406 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.660 4.653 -4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.444 1.552 -7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.206 2.870 -3.555 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.097 1.317 -5.112 1.00 0.00 H new ATOM 1416 N TRP A 86 3.527 8.361 -6.480 1.00 0.00 N ATOM 1417 CA TRP A 86 3.002 9.342 -5.543 1.00 0.00 C ATOM 1418 C TRP A 86 1.978 10.244 -6.221 1.00 0.00 C ATOM 1419 O TRP A 86 0.879 10.445 -5.707 1.00 0.00 O ATOM 1420 CB TRP A 86 4.136 10.181 -4.956 1.00 0.00 C ATOM 1421 CG TRP A 86 3.707 10.993 -3.778 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.728 12.351 -3.673 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.186 10.499 -2.539 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.250 12.736 -2.441 1.00 0.00 N ATOM 1425 CE2 TRP A 86 2.911 11.615 -1.728 1.00 0.00 C ATOM 1426 CE3 TRP A 86 2.925 9.220 -2.039 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.387 11.490 -0.442 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.404 9.098 -0.765 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.140 10.226 0.020 1.00 0.00 C ATOM 0 H TRP A 86 4.435 8.599 -6.879 1.00 0.00 H new ATOM 0 HA TRP A 86 2.507 8.806 -4.733 1.00 0.00 H new ATOM 0 HB2 TRP A 86 4.953 9.523 -4.659 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.526 10.846 -5.727 1.00 0.00 H new ATOM 0 HD1 TRP A 86 4.070 13.026 -4.443 1.00 0.00 H new ATOM 0 HE1 TRP A 86 3.162 13.698 -2.112 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.127 8.344 -2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.184 12.359 0.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.197 8.115 -0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.733 10.096 1.012 1.00 0.00 H new ATOM 1440 N GLU A 87 2.344 10.791 -7.377 1.00 0.00 N ATOM 1441 CA GLU A 87 1.443 11.661 -8.122 1.00 0.00 C ATOM 1442 C GLU A 87 0.191 10.894 -8.537 1.00 0.00 C ATOM 1443 O GLU A 87 -0.854 11.485 -8.807 1.00 0.00 O ATOM 1444 CB GLU A 87 2.145 12.230 -9.357 1.00 0.00 C ATOM 1445 CG GLU A 87 2.965 13.477 -9.069 1.00 0.00 C ATOM 1446 CD GLU A 87 3.536 14.102 -10.326 1.00 0.00 C ATOM 1447 OE1 GLU A 87 4.380 13.455 -10.981 1.00 0.00 O ATOM 1448 OE2 GLU A 87 3.139 15.239 -10.656 1.00 0.00 O ATOM 0 H GLU A 87 3.254 10.647 -7.815 1.00 0.00 H new ATOM 0 HA GLU A 87 1.151 12.489 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.797 11.465 -9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.397 12.464 -10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.340 14.208 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.780 13.223 -8.391 1.00 0.00 H new ATOM 1455 N ILE A 88 0.313 9.571 -8.584 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.806 8.715 -8.953 1.00 0.00 C ATOM 1457 C ILE A 88 -1.643 8.399 -7.721 1.00 0.00 C ATOM 1458 O ILE A 88 -2.838 8.691 -7.676 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.331 7.400 -9.606 1.00 0.00 C ATOM 1460 CG1 ILE A 88 0.206 7.671 -11.014 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.467 6.387 -9.657 1.00 0.00 C ATOM 1462 CD1 ILE A 88 1.056 6.547 -11.565 1.00 0.00 C ATOM 0 H ILE A 88 1.176 9.070 -8.371 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.408 9.255 -9.684 1.00 0.00 H new ATOM 0 HB ILE A 88 0.473 6.984 -9.000 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.634 7.844 -11.687 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.796 8.587 -10.999 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.113 5.466 -10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.811 6.175 -8.645 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.292 6.794 -10.242 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.401 6.809 -12.565 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.916 6.388 -10.914 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.464 5.633 -11.613 1.00 0.00 H new ATOM 1474 N VAL A 89 -0.999 7.790 -6.730 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.660 7.435 -5.481 1.00 0.00 C ATOM 1476 C VAL A 89 -2.461 8.607 -4.917 1.00 0.00 C ATOM 1477 O VAL A 89 -3.508 8.412 -4.301 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.639 6.952 -4.430 1.00 0.00 C ATOM 1479 CG1 VAL A 89 0.135 8.120 -3.837 1.00 0.00 C ATOM 1480 CG2 VAL A 89 -1.333 6.161 -3.338 1.00 0.00 C ATOM 0 H VAL A 89 -0.013 7.531 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.349 6.621 -5.706 1.00 0.00 H new ATOM 0 HB VAL A 89 0.075 6.298 -4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.847 7.748 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.672 8.640 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.559 8.809 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.597 5.829 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.074 6.792 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.827 5.293 -3.775 1.00 0.00 H new ATOM 1490 N VAL A 90 -1.971 9.826 -5.136 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.659 11.015 -4.647 1.00 0.00 C ATOM 1492 C VAL A 90 -3.832 11.362 -5.560 1.00 0.00 C ATOM 1493 O VAL A 90 -4.935 11.640 -5.092 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.704 12.227 -4.532 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.243 12.702 -5.901 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.371 13.358 -3.765 1.00 0.00 C ATOM 0 H VAL A 90 -1.107 10.014 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.032 10.788 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.820 11.907 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.574 13.554 -5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.716 11.894 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.108 12.999 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.686 14.203 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.276 13.668 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.630 13.015 -2.763 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.572 11.359 -6.865 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.604 11.642 -7.856 1.00 0.00 C ATOM 1508 C GLN A 91 -5.802 10.714 -7.668 1.00 0.00 C ATOM 1509 O GLN A 91 -6.950 11.129 -7.820 1.00 0.00 O ATOM 1510 CB GLN A 91 -4.040 11.490 -9.269 1.00 0.00 C ATOM 1511 CG GLN A 91 -3.840 12.813 -9.990 1.00 0.00 C ATOM 1512 CD GLN A 91 -3.689 12.642 -11.490 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -4.608 12.934 -12.255 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -2.526 12.166 -11.917 1.00 0.00 N ATOM 0 H GLN A 91 -2.652 11.163 -7.261 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.937 12.671 -7.717 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.085 10.967 -9.216 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.714 10.865 -9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -4.689 13.466 -9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.954 13.309 -9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.792 11.937 -11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.367 12.029 -12.915 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.522 9.455 -7.337 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.573 8.463 -7.123 1.00 0.00 C ATOM 1525 C ASP A 92 -7.368 8.771 -5.857 1.00 0.00 C ATOM 1526 O ASP A 92 -8.303 8.051 -5.508 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.967 7.063 -7.028 1.00 0.00 C ATOM 1528 CG ASP A 92 -5.741 6.436 -8.389 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -4.673 6.686 -8.989 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -6.631 5.695 -8.856 1.00 0.00 O ATOM 0 H ASP A 92 -4.575 9.098 -7.211 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.253 8.503 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.018 7.117 -6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.627 6.424 -6.442 1.00 0.00 H new ATOM 1535 N GLY A 93 -6.988 9.847 -5.178 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.673 10.243 -3.962 1.00 0.00 C ATOM 1537 C GLY A 93 -7.281 9.409 -2.756 1.00 0.00 C ATOM 1538 O GLY A 93 -7.889 9.535 -1.693 1.00 0.00 O ATOM 0 H GLY A 93 -6.215 10.454 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.457 11.291 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.749 10.163 -4.116 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.270 8.557 -2.909 1.00 0.00 N ATOM 1543 CA ILE A 94 -5.819 7.716 -1.804 1.00 0.00 C ATOM 1544 C ILE A 94 -5.182 8.562 -0.707 1.00 0.00 C ATOM 1545 O ILE A 94 -4.320 9.399 -0.973 1.00 0.00 O ATOM 1546 CB ILE A 94 -4.818 6.644 -2.276 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -5.385 5.882 -3.477 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -4.491 5.688 -1.137 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -4.398 4.927 -4.116 1.00 0.00 C ATOM 0 H ILE A 94 -5.752 8.431 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.699 7.211 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.896 7.136 -2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.264 5.322 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.719 6.600 -4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.783 4.936 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.052 6.245 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.404 5.198 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.872 4.424 -4.959 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.529 5.483 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.082 4.185 -3.382 1.00 0.00 H new ATOM 1561 N THR A 95 -5.616 8.334 0.527 1.00 0.00 N ATOM 1562 CA THR A 95 -5.112 9.080 1.674 1.00 0.00 C ATOM 1563 C THR A 95 -3.972 8.356 2.381 1.00 0.00 C ATOM 1564 O THR A 95 -3.396 7.406 1.854 1.00 0.00 O ATOM 1565 CB THR A 95 -6.231 9.374 2.691 1.00 0.00 C ATOM 1566 OG1 THR A 95 -6.489 8.211 3.487 1.00 0.00 O ATOM 1567 CG2 THR A 95 -7.508 9.803 1.984 1.00 0.00 C ATOM 0 H THR A 95 -6.320 7.634 0.760 1.00 0.00 H new ATOM 0 HA THR A 95 -4.729 10.020 1.276 1.00 0.00 H new ATOM 0 HB THR A 95 -5.900 10.189 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.200 8.407 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.283 10.005 2.723 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.317 10.705 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.840 9.007 1.318 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.663 8.826 3.585 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.587 8.259 4.387 1.00 0.00 C ATOM 1577 C LEU A 96 -3.166 7.503 5.572 1.00 0.00 C ATOM 1578 O LEU A 96 -2.438 7.101 6.478 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.659 9.367 4.889 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.364 9.565 4.093 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.747 8.699 4.665 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.573 9.267 2.614 1.00 0.00 C ATOM 0 H LEU A 96 -4.148 9.605 4.029 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.014 7.571 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.212 10.306 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.397 9.154 5.925 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.070 10.611 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.660 8.851 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.924 8.974 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.455 7.650 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.364 9.417 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.899 8.234 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.333 9.937 2.212 1.00 0.00 H new ATOM 1594 N ILE A 97 -4.491 7.348 5.556 1.00 0.00 N ATOM 1595 CA ILE A 97 -5.218 6.647 6.610 1.00 0.00 C ATOM 1596 C ILE A 97 -5.465 7.575 7.796 1.00 0.00 C ATOM 1597 O ILE A 97 -4.542 8.220 8.298 1.00 0.00 O ATOM 1598 CB ILE A 97 -4.480 5.363 7.067 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -5.197 4.127 6.523 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -4.365 5.299 8.588 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -4.773 3.755 5.115 1.00 0.00 C ATOM 0 H ILE A 97 -5.088 7.706 4.811 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.178 6.340 6.196 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.467 5.388 6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.006 3.284 7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.272 4.305 6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.843 4.387 8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.808 6.164 8.948 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.362 5.300 9.029 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.321 2.870 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.990 4.582 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.703 3.545 5.101 1.00 0.00 H new ATOM 1613 N THR A 98 -6.719 7.646 8.233 1.00 0.00 N ATOM 1614 CA THR A 98 -7.091 8.505 9.351 1.00 0.00 C ATOM 1615 C THR A 98 -7.457 7.690 10.586 1.00 0.00 C ATOM 1616 O THR A 98 -7.964 6.578 10.482 1.00 0.00 O ATOM 1617 CB THR A 98 -8.275 9.420 8.987 1.00 0.00 C ATOM 1618 OG1 THR A 98 -8.320 9.623 7.570 1.00 0.00 O ATOM 1619 CG2 THR A 98 -8.157 10.762 9.693 1.00 0.00 C ATOM 0 H THR A 98 -7.494 7.119 7.830 1.00 0.00 H new ATOM 0 HA THR A 98 -6.218 9.118 9.574 1.00 0.00 H new ATOM 0 HB THR A 98 -9.195 8.935 9.313 1.00 0.00 H new ATOM 0 HG1 THR A 98 -9.077 10.204 7.347 1.00 0.00 H new ATOM 0 HG21 THR A 98 -9.004 11.392 9.421 1.00 0.00 H new ATOM 0 HG22 THR A 98 -8.152 10.606 10.772 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.230 11.251 9.393 1.00 0.00 H new ATOM 1627 N LYS A 99 -7.162 8.251 11.752 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.453 7.610 13.032 1.00 0.00 C ATOM 1629 C LYS A 99 -8.773 6.836 13.034 1.00 0.00 C ATOM 1630 O LYS A 99 -8.782 5.607 13.127 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.480 8.665 14.141 1.00 0.00 C ATOM 1632 CG LYS A 99 -7.995 10.020 13.683 1.00 0.00 C ATOM 1633 CD LYS A 99 -8.265 10.942 14.862 1.00 0.00 C ATOM 1634 CE LYS A 99 -7.027 11.738 15.241 1.00 0.00 C ATOM 1635 NZ LYS A 99 -7.266 12.607 16.426 1.00 0.00 N ATOM 0 H LYS A 99 -6.714 9.163 11.839 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.659 6.884 13.208 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.106 8.305 14.957 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.473 8.785 14.541 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.265 10.482 13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.911 9.887 13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.076 11.626 14.612 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.596 10.353 15.717 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.206 11.053 15.453 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.719 12.353 14.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.398 13.133 16.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.032 13.278 16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.535 12.018 17.240 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.881 7.561 12.934 1.00 0.00 N ATOM 1650 CA GLU A 100 -11.213 6.958 12.971 1.00 0.00 C ATOM 1651 C GLU A 100 -11.429 5.893 11.891 1.00 0.00 C ATOM 1652 O GLU A 100 -12.383 5.119 11.970 1.00 0.00 O ATOM 1653 CB GLU A 100 -12.273 8.051 12.864 1.00 0.00 C ATOM 1654 CG GLU A 100 -13.702 7.531 12.895 1.00 0.00 C ATOM 1655 CD GLU A 100 -14.611 8.374 13.768 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -15.053 9.445 13.303 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -14.880 7.963 14.916 1.00 0.00 O ATOM 0 H GLU A 100 -9.885 8.575 12.826 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.303 6.441 13.926 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -12.136 8.757 13.683 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.118 8.604 11.937 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -14.098 7.508 11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.703 6.504 13.261 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.554 5.840 10.889 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.690 4.837 9.830 1.00 0.00 C ATOM 1666 C GLU A 101 -10.607 3.426 10.409 1.00 0.00 C ATOM 1667 O GLU A 101 -10.763 2.437 9.693 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.617 5.022 8.754 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.798 6.284 7.927 1.00 0.00 C ATOM 1670 CD GLU A 101 -9.690 6.025 6.437 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -8.553 5.885 5.941 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -10.742 5.963 5.768 1.00 0.00 O ATOM 0 H GLU A 101 -9.756 6.467 10.786 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.669 4.973 9.370 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.637 5.047 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.627 4.158 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.772 6.721 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.046 7.017 8.220 1.00 0.00 H new ATOM 1679 N ALA A 102 -10.361 3.348 11.714 1.00 0.00 N ATOM 1680 CA ALA A 102 -10.267 2.072 12.410 1.00 0.00 C ATOM 1681 C ALA A 102 -11.347 1.970 13.485 1.00 0.00 C ATOM 1682 O ALA A 102 -12.348 2.684 13.436 1.00 0.00 O ATOM 1683 CB ALA A 102 -8.884 1.905 13.024 1.00 0.00 C ATOM 0 H ALA A 102 -10.222 4.162 12.313 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.424 1.270 11.689 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.829 0.947 13.541 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.130 1.937 12.237 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.701 2.711 13.734 1.00 0.00 H new ATOM 1689 N SER A 103 -11.141 1.083 14.454 1.00 0.00 N ATOM 1690 CA SER A 103 -12.103 0.900 15.536 1.00 0.00 C ATOM 1691 C SER A 103 -11.962 2.007 16.577 1.00 0.00 C ATOM 1692 O SER A 103 -12.690 2.038 17.570 1.00 0.00 O ATOM 1693 CB SER A 103 -11.907 -0.465 16.197 1.00 0.00 C ATOM 1694 OG SER A 103 -13.095 -0.898 16.837 1.00 0.00 O ATOM 0 H SER A 103 -10.319 0.481 14.512 1.00 0.00 H new ATOM 0 HA SER A 103 -13.106 0.948 15.111 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.608 -1.196 15.446 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.098 -0.407 16.926 1.00 0.00 H new ATOM 0 HG SER A 103 -13.506 -0.144 17.309 1.00 0.00 H new ATOM 1700 N GLY A 104 -11.018 2.913 16.341 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.786 4.011 17.262 1.00 0.00 C ATOM 1702 C GLY A 104 -9.334 4.096 17.683 1.00 0.00 C ATOM 1703 O GLY A 104 -9.000 3.862 18.845 1.00 0.00 O ATOM 0 H GLY A 104 -10.407 2.906 15.524 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.083 4.948 16.792 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.413 3.884 18.144 1.00 0.00 H new ATOM 1707 N SER A 105 -8.469 4.435 16.733 1.00 0.00 N ATOM 1708 CA SER A 105 -7.037 4.533 17.008 1.00 0.00 C ATOM 1709 C SER A 105 -6.477 5.867 16.582 1.00 0.00 C ATOM 1710 O SER A 105 -6.609 6.272 15.432 1.00 0.00 O ATOM 1711 CB SER A 105 -6.280 3.399 16.315 1.00 0.00 C ATOM 1712 OG SER A 105 -6.681 2.136 16.818 1.00 0.00 O ATOM 0 H SER A 105 -8.731 4.646 15.770 1.00 0.00 H new ATOM 0 HA SER A 105 -6.904 4.444 18.086 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.461 3.440 15.241 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.208 3.529 16.463 1.00 0.00 H new ATOM 0 HG SER A 105 -6.184 1.428 16.358 1.00 0.00 H new ATOM 1718 N SER A 106 -5.835 6.540 17.527 1.00 0.00 N ATOM 1719 CA SER A 106 -5.246 7.836 17.272 1.00 0.00 C ATOM 1720 C SER A 106 -4.253 7.768 16.123 1.00 0.00 C ATOM 1721 O SER A 106 -3.461 6.831 16.013 1.00 0.00 O ATOM 1722 CB SER A 106 -4.553 8.363 18.530 1.00 0.00 C ATOM 1723 OG SER A 106 -5.478 8.522 19.592 1.00 0.00 O ATOM 0 H SER A 106 -5.711 6.202 18.482 1.00 0.00 H new ATOM 0 HA SER A 106 -6.048 8.520 16.994 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.764 7.673 18.831 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.076 9.319 18.313 1.00 0.00 H new ATOM 0 HG SER A 106 -5.011 8.858 20.385 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.313 8.776 15.277 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.424 8.887 14.126 1.00 0.00 C ATOM 1731 C VAL A 107 -3.015 10.341 13.926 1.00 0.00 C ATOM 1732 O VAL A 107 -3.856 11.209 13.692 1.00 0.00 O ATOM 1733 CB VAL A 107 -4.069 8.338 12.837 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.320 8.824 11.602 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -4.100 6.819 12.877 1.00 0.00 C ATOM 0 H VAL A 107 -4.978 9.545 15.363 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.542 8.280 14.333 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.091 8.711 12.778 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.795 8.423 10.707 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.343 9.913 11.568 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.285 8.484 11.647 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.557 6.440 11.963 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.083 6.436 12.960 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.682 6.489 13.737 1.00 0.00 H new ATOM 1745 N THR A 108 -1.716 10.591 14.026 1.00 0.00 N ATOM 1746 CA THR A 108 -1.168 11.934 13.891 1.00 0.00 C ATOM 1747 C THR A 108 -1.708 12.675 12.667 1.00 0.00 C ATOM 1748 O THR A 108 -2.059 12.068 11.655 1.00 0.00 O ATOM 1749 CB THR A 108 0.372 11.886 13.824 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.924 13.106 14.335 1.00 0.00 O ATOM 1751 CG2 THR A 108 0.858 11.662 12.398 1.00 0.00 C ATOM 0 H THR A 108 -1.015 9.871 14.202 1.00 0.00 H new ATOM 0 HA THR A 108 -1.485 12.486 14.776 1.00 0.00 H new ATOM 0 HB THR A 108 0.707 11.048 14.435 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.902 13.066 14.290 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.948 11.633 12.385 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.466 10.716 12.024 1.00 0.00 H new ATOM 0 HG23 THR A 108 0.509 12.476 11.763 1.00 0.00 H new ATOM 1759 N ALA A 109 -1.770 13.999 12.788 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.240 14.867 11.713 1.00 0.00 C ATOM 1761 C ALA A 109 -1.130 15.089 10.695 1.00 0.00 C ATOM 1762 O ALA A 109 -1.356 15.614 9.605 1.00 0.00 O ATOM 1763 CB ALA A 109 -2.726 16.196 12.275 1.00 0.00 C ATOM 0 H ALA A 109 -1.496 14.499 13.634 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.078 14.382 11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.073 16.831 11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.546 16.019 12.971 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.908 16.691 12.797 1.00 0.00 H new ATOM 1769 N GLU A 110 0.074 14.685 11.075 1.00 0.00 N ATOM 1770 CA GLU A 110 1.247 14.836 10.226 1.00 0.00 C ATOM 1771 C GLU A 110 1.278 13.728 9.179 1.00 0.00 C ATOM 1772 O GLU A 110 1.991 13.813 8.181 1.00 0.00 O ATOM 1773 CB GLU A 110 2.524 14.805 11.067 1.00 0.00 C ATOM 1774 CG GLU A 110 2.871 16.144 11.697 1.00 0.00 C ATOM 1775 CD GLU A 110 4.029 16.049 12.671 1.00 0.00 C ATOM 1776 OE1 GLU A 110 3.783 15.755 13.860 1.00 0.00 O ATOM 1777 OE2 GLU A 110 5.182 16.268 12.245 1.00 0.00 O ATOM 0 H GLU A 110 0.265 14.246 11.976 1.00 0.00 H new ATOM 0 HA GLU A 110 1.191 15.800 9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.412 14.060 11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.355 14.482 10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.120 16.857 10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.996 16.534 12.216 1.00 0.00 H new ATOM 1784 N GLU A 111 0.494 12.685 9.428 1.00 0.00 N ATOM 1785 CA GLU A 111 0.432 11.542 8.534 1.00 0.00 C ATOM 1786 C GLU A 111 -0.485 11.820 7.349 1.00 0.00 C ATOM 1787 O GLU A 111 -0.095 11.643 6.197 1.00 0.00 O ATOM 1788 CB GLU A 111 -0.061 10.305 9.297 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.677 9.242 8.408 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.785 7.899 9.102 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.206 7.476 9.731 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.862 7.273 9.021 1.00 0.00 O ATOM 0 H GLU A 111 -0.109 12.611 10.247 1.00 0.00 H new ATOM 0 HA GLU A 111 1.436 11.356 8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 111 0.776 9.869 9.842 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.797 10.616 10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.669 9.566 8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.076 9.134 7.505 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.700 12.273 7.636 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.678 12.537 6.590 1.00 0.00 C ATOM 1801 C ALA A 112 -2.568 13.941 5.997 1.00 0.00 C ATOM 1802 O ALA A 112 -2.693 14.116 4.785 1.00 0.00 O ATOM 1803 CB ALA A 112 -4.081 12.309 7.130 1.00 0.00 C ATOM 0 H ALA A 112 -2.030 12.464 8.582 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.466 11.841 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.810 12.508 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.179 11.276 7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.261 12.980 7.970 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.334 14.937 6.843 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.260 16.320 6.378 1.00 0.00 C ATOM 1811 C LYS A 113 -0.906 16.674 5.764 1.00 0.00 C ATOM 1812 O LYS A 113 -0.850 17.250 4.679 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.574 17.282 7.526 1.00 0.00 C ATOM 1814 CG LYS A 113 -3.799 16.885 8.335 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.623 18.098 8.734 1.00 0.00 C ATOM 1816 CE LYS A 113 -6.042 17.707 9.112 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.214 17.596 10.588 1.00 0.00 N ATOM 0 H LYS A 113 -2.193 14.817 7.846 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.005 16.422 5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.712 17.335 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.726 18.282 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.416 16.202 7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.486 16.347 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.147 18.602 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.648 18.810 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.739 18.448 8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.293 16.755 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.195 17.328 10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.567 16.871 10.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.000 18.512 11.032 1.00 0.00 H new ATOM 1831 N LYS A 114 0.180 16.339 6.451 1.00 0.00 N ATOM 1832 CA LYS A 114 1.516 16.672 5.963 1.00 0.00 C ATOM 1833 C LYS A 114 1.860 15.961 4.654 1.00 0.00 C ATOM 1834 O LYS A 114 2.578 16.509 3.817 1.00 0.00 O ATOM 1835 CB LYS A 114 2.560 16.337 7.027 1.00 0.00 C ATOM 1836 CG LYS A 114 3.588 17.435 7.235 1.00 0.00 C ATOM 1837 CD LYS A 114 4.945 17.042 6.675 1.00 0.00 C ATOM 1838 CE LYS A 114 6.051 17.257 7.695 1.00 0.00 C ATOM 1839 NZ LYS A 114 6.073 18.656 8.206 1.00 0.00 N ATOM 0 H LYS A 114 0.164 15.841 7.341 1.00 0.00 H new ATOM 0 HA LYS A 114 1.523 17.743 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.054 16.141 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.074 15.418 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.246 18.351 6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.681 17.650 8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.926 15.995 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.154 17.628 5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.914 16.568 8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.014 17.021 7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.029 19.051 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.395 19.233 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.810 18.662 9.212 1.00 0.00 H new ATOM 1853 N PHE A 115 1.355 14.746 4.476 1.00 0.00 N ATOM 1854 CA PHE A 115 1.642 13.975 3.268 1.00 0.00 C ATOM 1855 C PHE A 115 0.862 14.482 2.055 1.00 0.00 C ATOM 1856 O PHE A 115 1.432 14.682 0.983 1.00 0.00 O ATOM 1857 CB PHE A 115 1.311 12.504 3.496 1.00 0.00 C ATOM 1858 CG PHE A 115 2.415 11.722 4.148 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.742 11.930 5.479 1.00 0.00 C ATOM 1860 CD2 PHE A 115 3.115 10.766 3.432 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.746 11.198 6.081 1.00 0.00 C ATOM 1862 CE2 PHE A 115 4.121 10.033 4.028 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.437 10.248 5.354 1.00 0.00 C ATOM 0 H PHE A 115 0.748 14.274 5.147 1.00 0.00 H new ATOM 0 HA PHE A 115 2.705 14.096 3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.417 12.435 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.071 12.044 2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.206 12.673 6.051 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.871 10.592 2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.991 11.368 7.119 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.661 9.292 3.457 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.223 9.675 5.823 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.440 14.691 2.228 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.290 15.152 1.131 1.00 0.00 C ATOM 1875 C LEU A 116 -1.068 16.632 0.832 1.00 0.00 C ATOM 1876 O LEU A 116 -1.130 17.053 -0.325 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.763 14.899 1.460 1.00 0.00 C ATOM 1878 CG LEU A 116 -3.270 13.493 1.122 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -3.956 12.870 2.327 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -4.218 13.540 -0.068 1.00 0.00 C ATOM 0 H LEU A 116 -0.929 14.550 3.112 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.017 14.586 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.918 15.079 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.370 15.627 0.922 1.00 0.00 H new ATOM 0 HG LEU A 116 -2.414 12.873 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.310 11.872 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -3.249 12.802 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.802 13.489 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.568 12.533 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.071 14.176 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.695 13.945 -0.934 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.812 17.418 1.871 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.586 18.850 1.706 1.00 0.00 C ATOM 1894 C ALA A 117 0.906 19.171 1.636 1.00 0.00 C ATOM 1895 O ALA A 117 1.715 18.532 2.309 1.00 0.00 O ATOM 1896 CB ALA A 117 -1.243 19.623 2.840 1.00 0.00 C ATOM 0 H ALA A 117 -0.756 17.089 2.835 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.039 19.156 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.066 20.690 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -2.316 19.430 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.819 19.304 3.792 1.00 0.00 H new ATOM 1902 N PRO A 118 1.291 20.170 0.819 1.00 0.00 N ATOM 1903 CA PRO A 118 2.693 20.570 0.669 1.00 0.00 C ATOM 1904 C PRO A 118 3.202 21.365 1.869 1.00 0.00 C ATOM 1905 O PRO A 118 2.616 21.316 2.951 1.00 0.00 O ATOM 1906 CB PRO A 118 2.673 21.446 -0.583 1.00 0.00 C ATOM 1907 CG PRO A 118 1.305 22.033 -0.605 1.00 0.00 C ATOM 1908 CD PRO A 118 0.392 20.987 -0.022 1.00 0.00 C ATOM 0 HA PRO A 118 3.359 19.710 0.597 1.00 0.00 H new ATOM 0 HB2 PRO A 118 3.437 22.222 -0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 118 2.868 20.860 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 118 1.266 22.953 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 118 1.007 22.288 -1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -0.408 21.436 0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -0.082 20.389 -0.801 1.00 0.00 H new ATOM 1916 N LYS A 119 4.295 22.094 1.668 1.00 0.00 N ATOM 1917 CA LYS A 119 4.884 22.902 2.731 1.00 0.00 C ATOM 1918 C LYS A 119 5.042 24.353 2.289 1.00 0.00 C ATOM 1919 O LYS A 119 4.414 25.253 2.846 1.00 0.00 O ATOM 1920 CB LYS A 119 6.244 22.331 3.139 1.00 0.00 C ATOM 1921 CG LYS A 119 6.163 21.304 4.255 1.00 0.00 C ATOM 1922 CD LYS A 119 7.544 20.839 4.685 1.00 0.00 C ATOM 1923 CE LYS A 119 7.492 19.472 5.348 1.00 0.00 C ATOM 1924 NZ LYS A 119 8.723 19.188 6.136 1.00 0.00 N ATOM 0 H LYS A 119 4.791 22.142 0.778 1.00 0.00 H new ATOM 0 HA LYS A 119 4.212 22.874 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.712 21.872 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.892 23.149 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.640 21.734 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.577 20.448 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.202 20.798 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.974 21.564 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.622 19.419 6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.364 18.704 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.654 18.240 6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 9.553 19.230 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.823 19.896 6.891 1.00 0.00 H new ATOM 1938 N ASP A 120 5.886 24.570 1.285 1.00 0.00 N ATOM 1939 CA ASP A 120 6.128 25.912 0.767 1.00 0.00 C ATOM 1940 C ASP A 120 5.383 26.132 -0.545 1.00 0.00 C ATOM 1941 O ASP A 120 5.518 25.350 -1.486 1.00 0.00 O ATOM 1942 CB ASP A 120 7.627 26.137 0.559 1.00 0.00 C ATOM 1943 CG ASP A 120 8.363 26.374 1.863 1.00 0.00 C ATOM 1944 OD1 ASP A 120 8.681 25.383 2.553 1.00 0.00 O ATOM 1945 OD2 ASP A 120 8.621 27.550 2.196 1.00 0.00 O ATOM 0 H ASP A 120 6.413 23.835 0.814 1.00 0.00 H new ATOM 0 HA ASP A 120 5.757 26.629 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.055 25.270 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.775 26.993 -0.099 1.00 0.00 H new TER 1950 ASP A 120