USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1081 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 124 MET CE :methyl -139:sc= -5.96! (180deg=-9.57!) USER MOD Set 1.2: A 128 TYR OH : rot 24:sc= 0.636 USER MOD Set 2.1: A 73 THR OG1 : rot 113:sc= -0.0331 USER MOD Set 2.2: A 76 GLN : amide:sc= 0.228 K(o=0.19,f=-3.5!) USER MOD Single : A 1 GLU N :NH3+ -168:sc= -0.0305 (180deg=-0.185) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.000785 X(o=-0.00079,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 81:sc= 1.08 USER MOD Single : A 19 ASN : amide:sc= -2.02 K(o=-2,f=-3) USER MOD Single : A 20 SER OG : rot 173:sc= 0.178 USER MOD Single : A 22 THR OG1 : rot 82:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -43:sc= 0.573 USER MOD Single : A 29 THR OG1 : rot 120:sc= -0.18 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.82! USER MOD Single : A 40 SER OG : rot 49:sc= 0.954 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0219 K(o=-0.022,f=-0.85) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS :FLIP no HE2:sc= -2.11! C(o=-4.4!,f=-2.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 78 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.0037) USER MOD Single : A 80 HIS : no HE2:sc= -1.94 K(o=-1.9,f=-5.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -1.75 F(o=-3!,f=-1.7) USER MOD Single : A 101 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.19) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 161:sc= -0.929 (180deg=-1.49) USER MOD Single : A 110 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.7!) USER MOD Single : A 111 SER OG : rot -96:sc= -0.2 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.00137 USER MOD Single : A 115 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.072) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -91:sc= -1.05 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= -0.0414 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 133 SER OG : rot -34:sc= 0.236! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -19.475 15.680 10.885 1.00 4.52 N ATOM 2 CA GLU A 1 -18.388 16.207 10.011 1.00 4.25 C ATOM 3 C GLU A 1 -18.547 15.640 8.598 1.00 2.87 C ATOM 4 O GLU A 1 -18.173 16.263 7.624 1.00 2.37 O ATOM 5 CB GLU A 1 -17.030 15.789 10.580 1.00 5.46 C ATOM 6 CG GLU A 1 -16.619 14.438 9.991 1.00 5.56 C ATOM 7 CD GLU A 1 -15.478 13.846 10.821 1.00 7.10 C ATOM 8 OE1 GLU A 1 -15.474 14.057 12.022 1.00 8.06 O ATOM 9 OE2 GLU A 1 -14.627 13.193 10.240 1.00 7.40 O ATOM 0 H1 GLU A 1 -19.492 16.213 11.778 1.00 4.52 H new ATOM 0 H2 GLU A 1 -20.390 15.784 10.402 1.00 4.52 H new ATOM 0 H3 GLU A 1 -19.302 14.674 11.086 1.00 4.52 H new ATOM 0 HA GLU A 1 -18.447 17.295 9.973 1.00 4.25 H new ATOM 0 HB2 GLU A 1 -16.279 16.543 10.345 1.00 5.46 H new ATOM 0 HB3 GLU A 1 -17.085 15.722 11.667 1.00 5.46 H new ATOM 0 HG2 GLU A 1 -17.470 13.757 9.986 1.00 5.56 H new ATOM 0 HG3 GLU A 1 -16.303 14.562 8.955 1.00 5.56 H new ATOM 18 N ALA A 2 -19.097 14.463 8.477 1.00 2.70 N ATOM 19 CA ALA A 2 -19.276 13.861 7.126 1.00 1.86 C ATOM 20 C ALA A 2 -20.476 14.509 6.432 1.00 1.13 C ATOM 21 O ALA A 2 -21.442 14.886 7.065 1.00 1.73 O ATOM 22 CB ALA A 2 -19.519 12.357 7.266 1.00 3.03 C ATOM 0 H ALA A 2 -19.430 13.893 9.255 1.00 2.70 H new ATOM 0 HA ALA A 2 -18.378 14.031 6.532 1.00 1.86 H new ATOM 0 HB1 ALA A 2 -19.650 11.916 6.278 1.00 3.03 H new ATOM 0 HB2 ALA A 2 -18.664 11.895 7.759 1.00 3.03 H new ATOM 0 HB3 ALA A 2 -20.416 12.187 7.861 1.00 3.03 H new ATOM 28 N GLU A 3 -20.423 14.641 5.135 1.00 1.88 N ATOM 29 CA GLU A 3 -21.562 15.263 4.403 1.00 3.18 C ATOM 30 C GLU A 3 -22.060 14.297 3.326 1.00 3.21 C ATOM 31 O GLU A 3 -23.140 13.748 3.422 1.00 2.82 O ATOM 32 CB GLU A 3 -21.099 16.566 3.748 1.00 4.71 C ATOM 33 CG GLU A 3 -21.000 17.664 4.810 1.00 5.57 C ATOM 34 CD GLU A 3 -20.335 18.903 4.207 1.00 7.25 C ATOM 35 OE1 GLU A 3 -19.334 18.743 3.528 1.00 7.94 O ATOM 36 OE2 GLU A 3 -20.838 19.991 4.433 1.00 7.97 O ATOM 0 H GLU A 3 -19.641 14.345 4.551 1.00 1.88 H new ATOM 0 HA GLU A 3 -22.371 15.478 5.102 1.00 3.18 H new ATOM 0 HB2 GLU A 3 -20.131 16.421 3.269 1.00 4.71 H new ATOM 0 HB3 GLU A 3 -21.800 16.862 2.968 1.00 4.71 H new ATOM 0 HG2 GLU A 3 -21.994 17.916 5.181 1.00 5.57 H new ATOM 0 HG3 GLU A 3 -20.423 17.308 5.663 1.00 5.57 H new ATOM 43 N ALA A 4 -21.280 14.080 2.302 1.00 3.97 N ATOM 44 CA ALA A 4 -21.710 13.146 1.224 1.00 4.22 C ATOM 45 C ALA A 4 -21.279 11.723 1.584 1.00 3.40 C ATOM 46 O ALA A 4 -22.086 10.818 1.654 1.00 3.53 O ATOM 47 CB ALA A 4 -21.061 13.555 -0.099 1.00 5.28 C ATOM 0 H ALA A 4 -20.365 14.509 2.166 1.00 3.97 H new ATOM 0 HA ALA A 4 -22.794 13.185 1.122 1.00 4.22 H new ATOM 0 HB1 ALA A 4 -21.377 12.870 -0.886 1.00 5.28 H new ATOM 0 HB2 ALA A 4 -21.367 14.569 -0.356 1.00 5.28 H new ATOM 0 HB3 ALA A 4 -19.976 13.517 0.001 1.00 5.28 H new ATOM 53 N HIS A 5 -20.012 11.521 1.812 1.00 2.85 N ATOM 54 CA HIS A 5 -19.524 10.158 2.169 1.00 2.12 C ATOM 55 C HIS A 5 -18.016 10.206 2.423 1.00 2.19 C ATOM 56 O HIS A 5 -17.352 11.168 2.091 1.00 2.90 O ATOM 57 CB HIS A 5 -19.814 9.196 1.015 1.00 2.03 C ATOM 58 CG HIS A 5 -20.482 7.959 1.549 1.00 1.31 C ATOM 59 ND1 HIS A 5 -21.860 7.805 1.552 1.00 1.09 N ATOM 60 CD2 HIS A 5 -19.976 6.809 2.103 1.00 1.94 C ATOM 61 CE1 HIS A 5 -22.132 6.603 2.092 1.00 0.67 C ATOM 62 NE2 HIS A 5 -21.019 5.954 2.445 1.00 1.86 N ATOM 0 H HIS A 5 -19.291 12.241 1.767 1.00 2.85 H new ATOM 0 HA HIS A 5 -20.034 9.814 3.069 1.00 2.12 H new ATOM 0 HB2 HIS A 5 -20.455 9.679 0.277 1.00 2.03 H new ATOM 0 HB3 HIS A 5 -18.887 8.931 0.507 1.00 2.03 H new ATOM 0 HD2 HIS A 5 -18.927 6.600 2.251 1.00 1.94 H new ATOM 0 HE1 HIS A 5 -23.129 6.210 2.224 1.00 0.67 H new ATOM 0 HE2 HIS A 5 -20.949 5.031 2.873 1.00 1.86 H new ATOM 70 N LYS A 6 -17.467 9.176 3.009 1.00 1.65 N ATOM 71 CA LYS A 6 -16.000 9.168 3.279 1.00 2.09 C ATOM 72 C LYS A 6 -15.315 8.164 2.355 1.00 1.72 C ATOM 73 O LYS A 6 -14.339 7.535 2.711 1.00 2.07 O ATOM 74 CB LYS A 6 -15.751 8.775 4.734 1.00 2.40 C ATOM 75 CG LYS A 6 -16.531 7.499 5.059 1.00 1.89 C ATOM 76 CD LYS A 6 -15.862 6.772 6.228 1.00 3.56 C ATOM 77 CE LYS A 6 -15.275 7.796 7.199 1.00 4.36 C ATOM 78 NZ LYS A 6 -15.109 7.170 8.542 1.00 5.72 N ATOM 0 H LYS A 6 -17.969 8.342 3.312 1.00 1.65 H new ATOM 0 HA LYS A 6 -15.593 10.163 3.097 1.00 2.09 H new ATOM 0 HB2 LYS A 6 -14.686 8.615 4.901 1.00 2.40 H new ATOM 0 HB3 LYS A 6 -16.061 9.582 5.398 1.00 2.40 H new ATOM 0 HG2 LYS A 6 -17.562 7.746 5.313 1.00 1.89 H new ATOM 0 HG3 LYS A 6 -16.565 6.849 4.185 1.00 1.89 H new ATOM 0 HD2 LYS A 6 -16.589 6.143 6.742 1.00 3.56 H new ATOM 0 HD3 LYS A 6 -15.076 6.114 5.858 1.00 3.56 H new ATOM 0 HE2 LYS A 6 -14.313 8.152 6.831 1.00 4.36 H new ATOM 0 HE3 LYS A 6 -15.931 8.664 7.269 1.00 4.36 H new ATOM 0 HZ1 LYS A 6 -14.710 7.867 9.203 1.00 5.72 H new ATOM 0 HZ2 LYS A 6 -16.034 6.851 8.893 1.00 5.72 H new ATOM 0 HZ3 LYS A 6 -14.467 6.355 8.468 1.00 5.72 H new ATOM 92 N CYS A 7 -15.829 8.012 1.174 1.00 1.13 N ATOM 93 CA CYS A 7 -15.223 7.045 0.211 1.00 0.77 C ATOM 94 C CYS A 7 -14.994 7.704 -1.161 1.00 0.79 C ATOM 95 O CYS A 7 -14.292 7.168 -1.996 1.00 1.01 O ATOM 96 CB CYS A 7 -16.163 5.850 0.039 1.00 0.52 C ATOM 97 SG CYS A 7 -15.520 4.436 0.968 1.00 2.57 S ATOM 0 H CYS A 7 -16.646 8.515 0.827 1.00 1.13 H new ATOM 0 HA CYS A 7 -14.261 6.720 0.607 1.00 0.77 H new ATOM 0 HB2 CYS A 7 -17.162 6.106 0.392 1.00 0.52 H new ATOM 0 HB3 CYS A 7 -16.253 5.594 -1.017 1.00 0.52 H new ATOM 102 N ASP A 8 -15.582 8.846 -1.417 1.00 0.86 N ATOM 103 CA ASP A 8 -15.390 9.496 -2.743 1.00 1.09 C ATOM 104 C ASP A 8 -14.186 10.438 -2.708 1.00 1.15 C ATOM 105 O ASP A 8 -13.386 10.459 -3.616 1.00 1.26 O ATOM 106 CB ASP A 8 -16.643 10.293 -3.104 1.00 1.32 C ATOM 107 CG ASP A 8 -17.217 9.771 -4.422 1.00 1.93 C ATOM 108 OD1 ASP A 8 -17.252 8.563 -4.593 1.00 2.49 O ATOM 109 OD2 ASP A 8 -17.610 10.587 -5.239 1.00 2.46 O ATOM 0 H ASP A 8 -16.183 9.352 -0.767 1.00 0.86 H new ATOM 0 HA ASP A 8 -15.212 8.723 -3.490 1.00 1.09 H new ATOM 0 HB2 ASP A 8 -17.385 10.203 -2.311 1.00 1.32 H new ATOM 0 HB3 ASP A 8 -16.400 11.352 -3.195 1.00 1.32 H new ATOM 114 N ILE A 9 -14.058 11.230 -1.679 1.00 1.10 N ATOM 115 CA ILE A 9 -12.907 12.181 -1.611 1.00 1.18 C ATOM 116 C ILE A 9 -11.714 11.530 -0.903 1.00 1.06 C ATOM 117 O ILE A 9 -10.643 11.429 -1.459 1.00 0.97 O ATOM 118 CB ILE A 9 -13.327 13.440 -0.848 1.00 1.34 C ATOM 119 CG1 ILE A 9 -14.541 14.072 -1.534 1.00 1.51 C ATOM 120 CG2 ILE A 9 -12.170 14.443 -0.842 1.00 1.83 C ATOM 121 CD1 ILE A 9 -14.980 15.313 -0.755 1.00 1.46 C ATOM 0 H ILE A 9 -14.697 11.262 -0.884 1.00 1.10 H new ATOM 0 HA ILE A 9 -12.612 12.446 -2.626 1.00 1.18 H new ATOM 0 HB ILE A 9 -13.585 13.173 0.177 1.00 1.34 H new ATOM 0 HG12 ILE A 9 -14.292 14.343 -2.560 1.00 1.51 H new ATOM 0 HG13 ILE A 9 -15.359 13.353 -1.584 1.00 1.51 H new ATOM 0 HG21 ILE A 9 -12.469 15.340 -0.299 1.00 1.83 H new ATOM 0 HG22 ILE A 9 -11.303 13.996 -0.355 1.00 1.83 H new ATOM 0 HG23 ILE A 9 -11.913 14.709 -1.868 1.00 1.83 H new ATOM 0 HD11 ILE A 9 -15.844 15.763 -1.244 1.00 1.46 H new ATOM 0 HD12 ILE A 9 -15.246 15.028 0.263 1.00 1.46 H new ATOM 0 HD13 ILE A 9 -14.163 16.034 -0.728 1.00 1.46 H new ATOM 133 N THR A 10 -11.877 11.106 0.323 1.00 1.11 N ATOM 134 CA THR A 10 -10.729 10.483 1.051 1.00 1.10 C ATOM 135 C THR A 10 -10.148 9.331 0.232 1.00 1.02 C ATOM 136 O THR A 10 -9.022 9.387 -0.222 1.00 1.31 O ATOM 137 CB THR A 10 -11.199 9.942 2.404 1.00 1.14 C ATOM 138 OG1 THR A 10 -11.391 11.024 3.304 1.00 1.30 O ATOM 139 CG2 THR A 10 -10.140 8.987 2.967 1.00 0.90 C ATOM 0 H THR A 10 -12.749 11.163 0.850 1.00 1.11 H new ATOM 0 HA THR A 10 -9.964 11.244 1.204 1.00 1.10 H new ATOM 0 HB THR A 10 -12.139 9.406 2.276 1.00 1.14 H new ATOM 0 HG1 THR A 10 -11.694 10.679 4.170 1.00 1.30 H new ATOM 0 HG21 THR A 10 -10.473 8.601 3.930 1.00 0.90 H new ATOM 0 HG22 THR A 10 -9.993 8.158 2.275 1.00 0.90 H new ATOM 0 HG23 THR A 10 -9.199 9.522 3.096 1.00 0.90 H new ATOM 147 N LEU A 11 -10.898 8.280 0.054 1.00 0.76 N ATOM 148 CA LEU A 11 -10.380 7.118 -0.719 1.00 0.80 C ATOM 149 C LEU A 11 -9.870 7.574 -2.093 1.00 0.70 C ATOM 150 O LEU A 11 -8.943 7.012 -2.630 1.00 0.72 O ATOM 151 CB LEU A 11 -11.493 6.079 -0.886 1.00 0.81 C ATOM 152 CG LEU A 11 -11.163 4.847 -0.035 1.00 1.10 C ATOM 153 CD1 LEU A 11 -11.239 5.211 1.449 1.00 1.59 C ATOM 154 CD2 LEU A 11 -12.165 3.729 -0.333 1.00 0.73 C ATOM 0 H LEU A 11 -11.848 8.176 0.411 1.00 0.76 H new ATOM 0 HA LEU A 11 -9.548 6.670 -0.175 1.00 0.80 H new ATOM 0 HB2 LEU A 11 -12.450 6.501 -0.580 1.00 0.81 H new ATOM 0 HB3 LEU A 11 -11.589 5.797 -1.934 1.00 0.81 H new ATOM 0 HG LEU A 11 -10.156 4.506 -0.276 1.00 1.10 H new ATOM 0 HD11 LEU A 11 -11.004 4.333 2.051 1.00 1.59 H new ATOM 0 HD12 LEU A 11 -10.522 6.003 1.667 1.00 1.59 H new ATOM 0 HD13 LEU A 11 -12.245 5.556 1.688 1.00 1.59 H new ATOM 0 HD21 LEU A 11 -11.927 2.856 0.274 1.00 0.73 H new ATOM 0 HD22 LEU A 11 -13.173 4.071 -0.097 1.00 0.73 H new ATOM 0 HD23 LEU A 11 -12.110 3.463 -1.389 1.00 0.73 H new ATOM 166 N GLN A 12 -10.456 8.589 -2.668 1.00 0.62 N ATOM 167 CA GLN A 12 -9.980 9.061 -4.006 1.00 0.55 C ATOM 168 C GLN A 12 -8.500 9.445 -3.923 1.00 0.58 C ATOM 169 O GLN A 12 -7.683 8.974 -4.690 1.00 0.51 O ATOM 170 CB GLN A 12 -10.811 10.273 -4.437 1.00 0.64 C ATOM 171 CG GLN A 12 -9.985 11.183 -5.345 1.00 1.66 C ATOM 172 CD GLN A 12 -10.922 11.980 -6.254 1.00 1.56 C ATOM 173 OE1 GLN A 12 -11.090 13.171 -6.080 1.00 2.25 O ATOM 174 NE2 GLN A 12 -11.545 11.368 -7.224 1.00 1.65 N ATOM 0 H GLN A 12 -11.239 9.111 -2.275 1.00 0.62 H new ATOM 0 HA GLN A 12 -10.096 8.262 -4.739 1.00 0.55 H new ATOM 0 HB2 GLN A 12 -11.707 9.941 -4.961 1.00 0.64 H new ATOM 0 HB3 GLN A 12 -11.142 10.827 -3.559 1.00 0.64 H new ATOM 0 HG2 GLN A 12 -9.379 11.861 -4.744 1.00 1.66 H new ATOM 0 HG3 GLN A 12 -9.297 10.588 -5.946 1.00 1.66 H new ATOM 0 HE21 GLN A 12 -11.404 10.368 -7.370 1.00 1.65 H new ATOM 0 HE22 GLN A 12 -12.173 11.889 -7.836 1.00 1.65 H new ATOM 183 N GLU A 13 -8.145 10.290 -2.999 1.00 0.76 N ATOM 184 CA GLU A 13 -6.717 10.691 -2.869 1.00 0.82 C ATOM 185 C GLU A 13 -5.884 9.465 -2.484 1.00 0.68 C ATOM 186 O GLU A 13 -4.704 9.396 -2.758 1.00 0.66 O ATOM 187 CB GLU A 13 -6.582 11.765 -1.788 1.00 1.04 C ATOM 188 CG GLU A 13 -6.221 13.103 -2.439 1.00 1.37 C ATOM 189 CD GLU A 13 -7.488 13.762 -2.989 1.00 2.09 C ATOM 190 OE1 GLU A 13 -8.332 14.134 -2.191 1.00 2.01 O ATOM 191 OE2 GLU A 13 -7.591 13.884 -4.198 1.00 3.43 O ATOM 0 H GLU A 13 -8.781 10.721 -2.328 1.00 0.76 H new ATOM 0 HA GLU A 13 -6.361 11.092 -3.818 1.00 0.82 H new ATOM 0 HB2 GLU A 13 -7.516 11.858 -1.234 1.00 1.04 H new ATOM 0 HB3 GLU A 13 -5.813 11.479 -1.070 1.00 1.04 H new ATOM 0 HG2 GLU A 13 -5.745 13.758 -1.709 1.00 1.37 H new ATOM 0 HG3 GLU A 13 -5.502 12.946 -3.243 1.00 1.37 H new ATOM 198 N ILE A 14 -6.493 8.492 -1.856 1.00 0.61 N ATOM 199 CA ILE A 14 -5.741 7.267 -1.463 1.00 0.49 C ATOM 200 C ILE A 14 -5.407 6.455 -2.719 1.00 0.42 C ATOM 201 O ILE A 14 -4.413 5.760 -2.777 1.00 0.38 O ATOM 202 CB ILE A 14 -6.609 6.428 -0.523 1.00 0.47 C ATOM 203 CG1 ILE A 14 -6.223 6.728 0.923 1.00 0.62 C ATOM 204 CG2 ILE A 14 -6.397 4.940 -0.809 1.00 0.56 C ATOM 205 CD1 ILE A 14 -7.489 6.903 1.764 1.00 0.99 C ATOM 0 H ILE A 14 -7.480 8.495 -1.599 1.00 0.61 H new ATOM 0 HA ILE A 14 -4.817 7.544 -0.956 1.00 0.49 H new ATOM 0 HB ILE A 14 -7.658 6.677 -0.683 1.00 0.47 H new ATOM 0 HG12 ILE A 14 -5.616 5.916 1.324 1.00 0.62 H new ATOM 0 HG13 ILE A 14 -5.616 7.632 0.968 1.00 0.62 H new ATOM 0 HG21 ILE A 14 -7.018 4.348 -0.136 1.00 0.56 H new ATOM 0 HG22 ILE A 14 -6.673 4.725 -1.841 1.00 0.56 H new ATOM 0 HG23 ILE A 14 -5.349 4.685 -0.653 1.00 0.56 H new ATOM 0 HD11 ILE A 14 -7.213 7.117 2.797 1.00 0.99 H new ATOM 0 HD12 ILE A 14 -8.078 7.730 1.367 1.00 0.99 H new ATOM 0 HD13 ILE A 14 -8.079 5.987 1.729 1.00 0.99 H new ATOM 217 N ILE A 15 -6.232 6.546 -3.727 1.00 0.45 N ATOM 218 CA ILE A 15 -5.976 5.793 -4.984 1.00 0.42 C ATOM 219 C ILE A 15 -4.821 6.460 -5.731 1.00 0.47 C ATOM 220 O ILE A 15 -3.893 5.810 -6.172 1.00 0.49 O ATOM 221 CB ILE A 15 -7.244 5.820 -5.840 1.00 0.42 C ATOM 222 CG1 ILE A 15 -7.992 4.491 -5.687 1.00 0.55 C ATOM 223 CG2 ILE A 15 -6.879 6.034 -7.307 1.00 0.42 C ATOM 224 CD1 ILE A 15 -9.452 4.676 -6.107 1.00 0.73 C ATOM 0 H ILE A 15 -7.079 7.115 -3.731 1.00 0.45 H new ATOM 0 HA ILE A 15 -5.712 4.758 -4.765 1.00 0.42 H new ATOM 0 HB ILE A 15 -7.882 6.639 -5.508 1.00 0.42 H new ATOM 0 HG12 ILE A 15 -7.520 3.723 -6.301 1.00 0.55 H new ATOM 0 HG13 ILE A 15 -7.940 4.149 -4.653 1.00 0.55 H new ATOM 0 HG21 ILE A 15 -7.787 6.052 -7.909 1.00 0.42 H new ATOM 0 HG22 ILE A 15 -6.352 6.982 -7.416 1.00 0.42 H new ATOM 0 HG23 ILE A 15 -6.236 5.221 -7.644 1.00 0.42 H new ATOM 0 HD11 ILE A 15 -9.984 3.731 -5.998 1.00 0.73 H new ATOM 0 HD12 ILE A 15 -9.920 5.431 -5.475 1.00 0.73 H new ATOM 0 HD13 ILE A 15 -9.493 4.998 -7.147 1.00 0.73 H new ATOM 236 N LYS A 16 -4.863 7.758 -5.862 1.00 0.53 N ATOM 237 CA LYS A 16 -3.756 8.470 -6.562 1.00 0.59 C ATOM 238 C LYS A 16 -2.437 8.116 -5.876 1.00 0.59 C ATOM 239 O LYS A 16 -1.455 7.796 -6.517 1.00 0.65 O ATOM 240 CB LYS A 16 -3.984 9.980 -6.479 1.00 0.67 C ATOM 241 CG LYS A 16 -2.638 10.692 -6.322 1.00 2.44 C ATOM 242 CD LYS A 16 -2.815 12.186 -6.607 1.00 3.02 C ATOM 243 CE LYS A 16 -2.717 12.977 -5.300 1.00 4.17 C ATOM 244 NZ LYS A 16 -1.936 14.225 -5.533 1.00 5.47 N ATOM 0 H LYS A 16 -5.614 8.355 -5.516 1.00 0.53 H new ATOM 0 HA LYS A 16 -3.725 8.170 -7.610 1.00 0.59 H new ATOM 0 HB2 LYS A 16 -4.491 10.332 -7.378 1.00 0.67 H new ATOM 0 HB3 LYS A 16 -4.632 10.215 -5.635 1.00 0.67 H new ATOM 0 HG2 LYS A 16 -2.253 10.546 -5.313 1.00 2.44 H new ATOM 0 HG3 LYS A 16 -1.906 10.264 -7.007 1.00 2.44 H new ATOM 0 HD2 LYS A 16 -2.051 12.525 -7.307 1.00 3.02 H new ATOM 0 HD3 LYS A 16 -3.781 12.364 -7.079 1.00 3.02 H new ATOM 0 HE2 LYS A 16 -3.714 13.222 -4.935 1.00 4.17 H new ATOM 0 HE3 LYS A 16 -2.236 12.372 -4.531 1.00 4.17 H new ATOM 0 HZ1 LYS A 16 -1.869 14.763 -4.646 1.00 5.47 H new ATOM 0 HZ2 LYS A 16 -0.981 13.980 -5.863 1.00 5.47 H new ATOM 0 HZ3 LYS A 16 -2.413 14.804 -6.254 1.00 5.47 H new ATOM 258 N THR A 17 -2.415 8.160 -4.573 1.00 0.55 N ATOM 259 CA THR A 17 -1.170 7.814 -3.837 1.00 0.54 C ATOM 260 C THR A 17 -0.775 6.385 -4.195 1.00 0.48 C ATOM 261 O THR A 17 0.389 6.057 -4.300 1.00 0.51 O ATOM 262 CB THR A 17 -1.418 7.913 -2.330 1.00 0.52 C ATOM 263 OG1 THR A 17 -2.098 9.127 -2.040 1.00 0.57 O ATOM 264 CG2 THR A 17 -0.080 7.885 -1.589 1.00 0.60 C ATOM 0 H THR A 17 -3.207 8.421 -3.986 1.00 0.55 H new ATOM 0 HA THR A 17 -0.372 8.504 -4.112 1.00 0.54 H new ATOM 0 HB THR A 17 -2.028 7.070 -2.006 1.00 0.52 H new ATOM 0 HG1 THR A 17 -3.056 9.015 -2.213 1.00 0.57 H new ATOM 0 HG21 THR A 17 -0.257 7.956 -0.516 1.00 0.60 H new ATOM 0 HG22 THR A 17 0.439 6.953 -1.811 1.00 0.60 H new ATOM 0 HG23 THR A 17 0.532 8.727 -1.912 1.00 0.60 H new ATOM 272 N LEU A 18 -1.744 5.535 -4.388 1.00 0.43 N ATOM 273 CA LEU A 18 -1.440 4.125 -4.748 1.00 0.38 C ATOM 274 C LEU A 18 -0.540 4.103 -5.989 1.00 0.46 C ATOM 275 O LEU A 18 0.493 3.464 -6.008 1.00 0.45 O ATOM 276 CB LEU A 18 -2.751 3.390 -5.055 1.00 0.42 C ATOM 277 CG LEU A 18 -2.614 1.900 -4.721 1.00 0.24 C ATOM 278 CD1 LEU A 18 -1.428 1.305 -5.481 1.00 1.05 C ATOM 279 CD2 LEU A 18 -2.392 1.730 -3.217 1.00 0.92 C ATOM 0 H LEU A 18 -2.736 5.758 -4.311 1.00 0.43 H new ATOM 0 HA LEU A 18 -0.930 3.634 -3.919 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -3.565 3.826 -4.476 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -3.007 3.512 -6.107 1.00 0.42 H new ATOM 0 HG LEU A 18 -3.527 1.382 -5.016 1.00 0.24 H new ATOM 0 HD11 LEU A 18 -1.336 0.246 -5.240 1.00 1.05 H new ATOM 0 HD12 LEU A 18 -1.588 1.420 -6.553 1.00 1.05 H new ATOM 0 HD13 LEU A 18 -0.514 1.824 -5.193 1.00 1.05 H new ATOM 0 HD21 LEU A 18 -2.295 0.670 -2.981 1.00 0.92 H new ATOM 0 HD22 LEU A 18 -1.482 2.252 -2.922 1.00 0.92 H new ATOM 0 HD23 LEU A 18 -3.241 2.146 -2.675 1.00 0.92 H new ATOM 291 N ASN A 19 -0.933 4.790 -7.028 1.00 0.56 N ATOM 292 CA ASN A 19 -0.113 4.804 -8.276 1.00 0.66 C ATOM 293 C ASN A 19 1.265 5.410 -7.998 1.00 0.73 C ATOM 294 O ASN A 19 2.247 5.045 -8.614 1.00 0.82 O ATOM 295 CB ASN A 19 -0.827 5.640 -9.340 1.00 0.77 C ATOM 296 CG ASN A 19 -2.049 4.877 -9.852 1.00 1.00 C ATOM 297 OD1 ASN A 19 -2.951 4.574 -9.097 1.00 2.20 O ATOM 298 ND2 ASN A 19 -2.116 4.549 -11.113 1.00 1.38 N ATOM 0 H ASN A 19 -1.789 5.344 -7.067 1.00 0.56 H new ATOM 0 HA ASN A 19 0.014 3.781 -8.629 1.00 0.66 H new ATOM 0 HB2 ASN A 19 -1.133 6.598 -8.920 1.00 0.77 H new ATOM 0 HB3 ASN A 19 -0.148 5.856 -10.165 1.00 0.77 H new ATOM 0 HD21 ASN A 19 -2.926 4.038 -11.465 1.00 1.38 H new ATOM 0 HD22 ASN A 19 -1.359 4.803 -11.747 1.00 1.38 H new ATOM 305 N SER A 20 1.349 6.340 -7.088 1.00 0.71 N ATOM 306 CA SER A 20 2.668 6.971 -6.790 1.00 0.80 C ATOM 307 C SER A 20 3.592 5.958 -6.108 1.00 0.76 C ATOM 308 O SER A 20 4.799 6.024 -6.236 1.00 0.94 O ATOM 309 CB SER A 20 2.457 8.168 -5.866 1.00 0.72 C ATOM 310 OG SER A 20 2.464 9.362 -6.638 1.00 0.94 O ATOM 0 H SER A 20 0.565 6.691 -6.538 1.00 0.71 H new ATOM 0 HA SER A 20 3.127 7.300 -7.722 1.00 0.80 H new ATOM 0 HB2 SER A 20 1.510 8.070 -5.335 1.00 0.72 H new ATOM 0 HB3 SER A 20 3.243 8.204 -5.112 1.00 0.72 H new ATOM 0 HG SER A 20 2.216 10.121 -6.069 1.00 0.94 H new ATOM 316 N LEU A 21 3.042 5.022 -5.385 1.00 0.63 N ATOM 317 CA LEU A 21 3.900 4.012 -4.701 1.00 0.70 C ATOM 318 C LEU A 21 4.552 3.087 -5.739 1.00 0.81 C ATOM 319 O LEU A 21 5.471 2.354 -5.431 1.00 1.02 O ATOM 320 CB LEU A 21 3.045 3.179 -3.743 1.00 0.66 C ATOM 321 CG LEU A 21 3.261 3.658 -2.305 1.00 0.92 C ATOM 322 CD1 LEU A 21 2.003 4.375 -1.814 1.00 0.33 C ATOM 323 CD2 LEU A 21 3.544 2.453 -1.405 1.00 2.00 C ATOM 0 H LEU A 21 2.039 4.912 -5.238 1.00 0.63 H new ATOM 0 HA LEU A 21 4.680 4.528 -4.142 1.00 0.70 H new ATOM 0 HB2 LEU A 21 1.992 3.267 -4.011 1.00 0.66 H new ATOM 0 HB3 LEU A 21 3.309 2.125 -3.828 1.00 0.66 H new ATOM 0 HG LEU A 21 4.107 4.344 -2.272 1.00 0.92 H new ATOM 0 HD11 LEU A 21 2.155 4.717 -0.790 1.00 0.33 H new ATOM 0 HD12 LEU A 21 1.799 5.232 -2.456 1.00 0.33 H new ATOM 0 HD13 LEU A 21 1.157 3.688 -1.845 1.00 0.33 H new ATOM 0 HD21 LEU A 21 3.698 2.792 -0.381 1.00 2.00 H new ATOM 0 HD22 LEU A 21 2.697 1.768 -1.437 1.00 2.00 H new ATOM 0 HD23 LEU A 21 4.439 1.939 -1.756 1.00 2.00 H new ATOM 335 N THR A 22 4.091 3.111 -6.964 1.00 0.80 N ATOM 336 CA THR A 22 4.695 2.232 -8.005 1.00 0.99 C ATOM 337 C THR A 22 5.840 2.964 -8.721 1.00 1.11 C ATOM 338 O THR A 22 6.244 2.582 -9.801 1.00 0.90 O ATOM 339 CB THR A 22 3.619 1.850 -9.024 1.00 1.10 C ATOM 340 OG1 THR A 22 2.373 1.699 -8.358 1.00 0.97 O ATOM 341 CG2 THR A 22 4.000 0.534 -9.705 1.00 1.88 C ATOM 0 H THR A 22 3.324 3.701 -7.286 1.00 0.80 H new ATOM 0 HA THR A 22 5.093 1.336 -7.529 1.00 0.99 H new ATOM 0 HB THR A 22 3.537 2.633 -9.777 1.00 1.10 H new ATOM 0 HG1 THR A 22 1.964 2.580 -8.227 1.00 0.97 H new ATOM 0 HG21 THR A 22 3.232 0.264 -10.430 1.00 1.88 H new ATOM 0 HG22 THR A 22 4.956 0.652 -10.215 1.00 1.88 H new ATOM 0 HG23 THR A 22 4.084 -0.253 -8.955 1.00 1.88 H new ATOM 349 N GLU A 23 6.373 4.007 -8.136 1.00 1.50 N ATOM 350 CA GLU A 23 7.487 4.738 -8.800 1.00 1.67 C ATOM 351 C GLU A 23 8.785 3.953 -8.617 1.00 1.69 C ATOM 352 O GLU A 23 9.575 3.817 -9.529 1.00 1.73 O ATOM 353 CB GLU A 23 7.635 6.126 -8.172 1.00 1.85 C ATOM 354 CG GLU A 23 8.852 6.830 -8.773 1.00 2.58 C ATOM 355 CD GLU A 23 8.485 8.273 -9.122 1.00 2.14 C ATOM 356 OE1 GLU A 23 7.646 8.832 -8.435 1.00 1.99 O ATOM 357 OE2 GLU A 23 9.047 8.794 -10.071 1.00 2.57 O ATOM 0 H GLU A 23 6.084 4.380 -7.232 1.00 1.50 H new ATOM 0 HA GLU A 23 7.271 4.845 -9.863 1.00 1.67 H new ATOM 0 HB2 GLU A 23 6.736 6.715 -8.350 1.00 1.85 H new ATOM 0 HB3 GLU A 23 7.749 6.038 -7.092 1.00 1.85 H new ATOM 0 HG2 GLU A 23 9.681 6.815 -8.065 1.00 2.58 H new ATOM 0 HG3 GLU A 23 9.187 6.302 -9.666 1.00 2.58 H new ATOM 364 N GLN A 24 9.007 3.429 -7.443 1.00 1.69 N ATOM 365 CA GLN A 24 10.252 2.646 -7.200 1.00 1.73 C ATOM 366 C GLN A 24 9.976 1.167 -7.465 1.00 1.43 C ATOM 367 O GLN A 24 10.112 0.330 -6.594 1.00 1.59 O ATOM 368 CB GLN A 24 10.696 2.828 -5.750 1.00 2.13 C ATOM 369 CG GLN A 24 12.212 2.642 -5.657 1.00 2.77 C ATOM 370 CD GLN A 24 12.731 3.279 -4.367 1.00 3.46 C ATOM 371 OE1 GLN A 24 11.985 3.909 -3.643 1.00 3.78 O ATOM 372 NE2 GLN A 24 13.988 3.141 -4.047 1.00 4.14 N ATOM 0 H GLN A 24 8.381 3.509 -6.642 1.00 1.69 H new ATOM 0 HA GLN A 24 11.040 2.998 -7.866 1.00 1.73 H new ATOM 0 HB2 GLN A 24 10.417 3.820 -5.394 1.00 2.13 H new ATOM 0 HB3 GLN A 24 10.190 2.106 -5.109 1.00 2.13 H new ATOM 0 HG2 GLN A 24 12.460 1.581 -5.675 1.00 2.77 H new ATOM 0 HG3 GLN A 24 12.698 3.098 -6.520 1.00 2.77 H new ATOM 0 HE21 GLN A 24 14.614 2.612 -4.655 1.00 4.14 H new ATOM 0 HE22 GLN A 24 14.345 3.562 -3.189 1.00 4.14 H new ATOM 381 N LYS A 25 9.584 0.841 -8.663 1.00 1.30 N ATOM 382 CA LYS A 25 9.292 -0.581 -8.994 1.00 1.41 C ATOM 383 C LYS A 25 10.517 -1.218 -9.655 1.00 1.62 C ATOM 384 O LYS A 25 10.462 -1.649 -10.789 1.00 2.07 O ATOM 385 CB LYS A 25 8.106 -0.646 -9.960 1.00 1.86 C ATOM 386 CG LYS A 25 7.762 -2.110 -10.252 1.00 2.55 C ATOM 387 CD LYS A 25 7.556 -2.298 -11.757 1.00 3.52 C ATOM 388 CE LYS A 25 6.158 -1.815 -12.147 1.00 3.01 C ATOM 389 NZ LYS A 25 5.372 -2.957 -12.695 1.00 3.96 N ATOM 0 H LYS A 25 9.453 1.500 -9.430 1.00 1.30 H new ATOM 0 HA LYS A 25 9.051 -1.122 -8.079 1.00 1.41 H new ATOM 0 HB2 LYS A 25 7.244 -0.138 -9.528 1.00 1.86 H new ATOM 0 HB3 LYS A 25 8.350 -0.127 -10.887 1.00 1.86 H new ATOM 0 HG2 LYS A 25 8.564 -2.760 -9.900 1.00 2.55 H new ATOM 0 HG3 LYS A 25 6.859 -2.397 -9.712 1.00 2.55 H new ATOM 0 HD2 LYS A 25 8.312 -1.741 -12.310 1.00 3.52 H new ATOM 0 HD3 LYS A 25 7.676 -3.348 -12.023 1.00 3.52 H new ATOM 0 HE2 LYS A 25 5.651 -1.395 -11.278 1.00 3.01 H new ATOM 0 HE3 LYS A 25 6.230 -1.020 -12.889 1.00 3.01 H new ATOM 0 HZ1 LYS A 25 4.421 -2.629 -12.960 1.00 3.96 H new ATOM 0 HZ2 LYS A 25 5.853 -3.339 -13.534 1.00 3.96 H new ATOM 0 HZ3 LYS A 25 5.292 -3.702 -11.973 1.00 3.96 H new ATOM 403 N THR A 26 11.621 -1.284 -8.960 1.00 1.47 N ATOM 404 CA THR A 26 12.835 -1.899 -9.568 1.00 1.77 C ATOM 405 C THR A 26 13.844 -2.274 -8.477 1.00 1.61 C ATOM 406 O THR A 26 14.209 -3.424 -8.329 1.00 1.58 O ATOM 407 CB THR A 26 13.481 -0.902 -10.534 1.00 2.13 C ATOM 408 OG1 THR A 26 12.473 -0.296 -11.332 1.00 1.40 O ATOM 409 CG2 THR A 26 14.476 -1.636 -11.435 1.00 3.17 C ATOM 0 H THR A 26 11.734 -0.942 -8.006 1.00 1.47 H new ATOM 0 HA THR A 26 12.542 -2.801 -10.106 1.00 1.77 H new ATOM 0 HB THR A 26 14.006 -0.133 -9.967 1.00 2.13 H new ATOM 0 HG1 THR A 26 11.832 -0.978 -11.623 1.00 1.40 H new ATOM 0 HG21 THR A 26 14.936 -0.926 -12.123 1.00 3.17 H new ATOM 0 HG22 THR A 26 15.249 -2.100 -10.822 1.00 3.17 H new ATOM 0 HG23 THR A 26 13.953 -2.405 -12.003 1.00 3.17 H new ATOM 417 N LEU A 27 14.320 -1.315 -7.730 1.00 1.59 N ATOM 418 CA LEU A 27 15.328 -1.625 -6.672 1.00 1.60 C ATOM 419 C LEU A 27 14.648 -1.941 -5.336 1.00 1.32 C ATOM 420 O LEU A 27 15.140 -2.733 -4.557 1.00 1.37 O ATOM 421 CB LEU A 27 16.254 -0.421 -6.491 1.00 1.85 C ATOM 422 CG LEU A 27 17.681 -0.815 -6.875 1.00 1.74 C ATOM 423 CD1 LEU A 27 17.899 -0.551 -8.365 1.00 1.15 C ATOM 424 CD2 LEU A 27 18.675 0.015 -6.059 1.00 2.18 C ATOM 0 H LEU A 27 14.056 -0.333 -7.805 1.00 1.59 H new ATOM 0 HA LEU A 27 15.898 -2.500 -6.985 1.00 1.60 H new ATOM 0 HB2 LEU A 27 15.915 0.409 -7.111 1.00 1.85 H new ATOM 0 HB3 LEU A 27 16.225 -0.079 -5.457 1.00 1.85 H new ATOM 0 HG LEU A 27 17.835 -1.874 -6.668 1.00 1.74 H new ATOM 0 HD11 LEU A 27 18.916 -0.832 -8.639 1.00 1.15 H new ATOM 0 HD12 LEU A 27 17.190 -1.141 -8.947 1.00 1.15 H new ATOM 0 HD13 LEU A 27 17.746 0.508 -8.573 1.00 1.15 H new ATOM 0 HD21 LEU A 27 19.693 -0.265 -6.332 1.00 2.18 H new ATOM 0 HD22 LEU A 27 18.522 1.074 -6.267 1.00 2.18 H new ATOM 0 HD23 LEU A 27 18.520 -0.172 -4.997 1.00 2.18 H new ATOM 436 N CYS A 28 13.542 -1.317 -5.046 1.00 1.07 N ATOM 437 CA CYS A 28 12.866 -1.578 -3.741 1.00 0.87 C ATOM 438 C CYS A 28 11.858 -2.724 -3.873 1.00 0.72 C ATOM 439 O CYS A 28 11.543 -3.395 -2.910 1.00 0.74 O ATOM 440 CB CYS A 28 12.144 -0.311 -3.283 1.00 0.75 C ATOM 441 SG CYS A 28 12.587 0.044 -1.563 1.00 1.22 S ATOM 0 H CYS A 28 13.077 -0.640 -5.651 1.00 1.07 H new ATOM 0 HA CYS A 28 13.619 -1.862 -3.006 1.00 0.87 H new ATOM 0 HB2 CYS A 28 12.419 0.529 -3.922 1.00 0.75 H new ATOM 0 HB3 CYS A 28 11.066 -0.441 -3.373 1.00 0.75 H new ATOM 446 N THR A 29 11.344 -2.955 -5.048 1.00 0.63 N ATOM 447 CA THR A 29 10.353 -4.059 -5.218 1.00 0.55 C ATOM 448 C THR A 29 11.067 -5.372 -5.569 1.00 0.56 C ATOM 449 O THR A 29 10.437 -6.341 -5.942 1.00 0.65 O ATOM 450 CB THR A 29 9.374 -3.705 -6.341 1.00 0.47 C ATOM 451 OG1 THR A 29 10.101 -3.268 -7.479 1.00 0.52 O ATOM 452 CG2 THR A 29 8.433 -2.594 -5.873 1.00 0.49 C ATOM 0 H THR A 29 11.564 -2.432 -5.895 1.00 0.63 H new ATOM 0 HA THR A 29 9.812 -4.186 -4.280 1.00 0.55 H new ATOM 0 HB THR A 29 8.786 -4.585 -6.601 1.00 0.47 H new ATOM 0 HG1 THR A 29 9.908 -3.858 -8.237 1.00 0.52 H new ATOM 0 HG21 THR A 29 7.738 -2.344 -6.674 1.00 0.49 H new ATOM 0 HG22 THR A 29 7.875 -2.934 -5.001 1.00 0.49 H new ATOM 0 HG23 THR A 29 9.015 -1.711 -5.610 1.00 0.49 H new ATOM 460 N GLU A 30 12.369 -5.423 -5.462 1.00 0.58 N ATOM 461 CA GLU A 30 13.086 -6.686 -5.800 1.00 0.62 C ATOM 462 C GLU A 30 13.047 -7.656 -4.618 1.00 0.84 C ATOM 463 O GLU A 30 13.354 -8.822 -4.764 1.00 1.52 O ATOM 464 CB GLU A 30 14.540 -6.370 -6.151 1.00 0.63 C ATOM 465 CG GLU A 30 15.218 -5.698 -4.956 1.00 1.59 C ATOM 466 CD GLU A 30 16.272 -6.640 -4.374 1.00 2.24 C ATOM 467 OE1 GLU A 30 17.056 -7.169 -5.145 1.00 1.78 O ATOM 468 OE2 GLU A 30 16.278 -6.817 -3.167 1.00 3.59 O ATOM 0 H GLU A 30 12.962 -4.651 -5.158 1.00 0.58 H new ATOM 0 HA GLU A 30 12.593 -7.151 -6.654 1.00 0.62 H new ATOM 0 HB2 GLU A 30 15.069 -7.286 -6.415 1.00 0.63 H new ATOM 0 HB3 GLU A 30 14.581 -5.716 -7.022 1.00 0.63 H new ATOM 0 HG2 GLU A 30 15.683 -4.762 -5.266 1.00 1.59 H new ATOM 0 HG3 GLU A 30 14.477 -5.449 -4.196 1.00 1.59 H new ATOM 475 N LEU A 31 12.663 -7.209 -3.451 1.00 0.74 N ATOM 476 CA LEU A 31 12.607 -8.143 -2.306 1.00 0.87 C ATOM 477 C LEU A 31 11.367 -9.031 -2.485 1.00 1.03 C ATOM 478 O LEU A 31 11.323 -9.834 -3.393 1.00 2.33 O ATOM 479 CB LEU A 31 12.556 -7.343 -0.999 1.00 1.00 C ATOM 480 CG LEU A 31 13.816 -6.481 -0.884 1.00 1.35 C ATOM 481 CD1 LEU A 31 13.427 -5.027 -0.610 1.00 0.91 C ATOM 482 CD2 LEU A 31 14.681 -6.998 0.267 1.00 1.95 C ATOM 0 H LEU A 31 12.390 -6.247 -3.249 1.00 0.74 H new ATOM 0 HA LEU A 31 13.492 -8.777 -2.264 1.00 0.87 H new ATOM 0 HB2 LEU A 31 11.667 -6.712 -0.980 1.00 1.00 H new ATOM 0 HB3 LEU A 31 12.485 -8.020 -0.147 1.00 1.00 H new ATOM 0 HG LEU A 31 14.375 -6.535 -1.818 1.00 1.35 H new ATOM 0 HD11 LEU A 31 14.328 -4.418 -0.529 1.00 0.91 H new ATOM 0 HD12 LEU A 31 12.810 -4.655 -1.428 1.00 0.91 H new ATOM 0 HD13 LEU A 31 12.866 -4.970 0.323 1.00 0.91 H new ATOM 0 HD21 LEU A 31 15.579 -6.386 0.351 1.00 1.95 H new ATOM 0 HD22 LEU A 31 14.117 -6.945 1.198 1.00 1.95 H new ATOM 0 HD23 LEU A 31 14.964 -8.033 0.073 1.00 1.95 H new ATOM 494 N THR A 32 10.353 -8.897 -1.665 1.00 0.41 N ATOM 495 CA THR A 32 9.139 -9.745 -1.852 1.00 0.64 C ATOM 496 C THR A 32 8.027 -9.273 -0.908 1.00 1.03 C ATOM 497 O THR A 32 8.150 -8.266 -0.240 1.00 1.74 O ATOM 498 CB THR A 32 9.482 -11.212 -1.568 1.00 0.67 C ATOM 499 OG1 THR A 32 10.659 -11.276 -0.775 1.00 0.63 O ATOM 500 CG2 THR A 32 9.715 -11.947 -2.891 1.00 0.67 C ATOM 0 H THR A 32 10.315 -8.244 -0.883 1.00 0.41 H new ATOM 0 HA THR A 32 8.792 -9.655 -2.882 1.00 0.64 H new ATOM 0 HB THR A 32 8.657 -11.683 -1.033 1.00 0.67 H new ATOM 0 HG1 THR A 32 10.879 -12.213 -0.591 1.00 0.63 H new ATOM 0 HG21 THR A 32 9.959 -12.990 -2.690 1.00 0.67 H new ATOM 0 HG22 THR A 32 8.812 -11.896 -3.499 1.00 0.67 H new ATOM 0 HG23 THR A 32 10.540 -11.478 -3.427 1.00 0.67 H new ATOM 508 N VAL A 33 6.944 -9.999 -0.848 1.00 0.77 N ATOM 509 CA VAL A 33 5.819 -9.607 0.049 1.00 1.08 C ATOM 510 C VAL A 33 4.738 -10.689 -0.001 1.00 1.19 C ATOM 511 O VAL A 33 4.536 -11.328 -1.014 1.00 1.83 O ATOM 512 CB VAL A 33 5.229 -8.274 -0.413 1.00 1.24 C ATOM 513 CG1 VAL A 33 5.232 -8.213 -1.942 1.00 3.20 C ATOM 514 CG2 VAL A 33 3.792 -8.154 0.099 1.00 1.57 C ATOM 0 H VAL A 33 6.789 -10.852 -1.385 1.00 0.77 H new ATOM 0 HA VAL A 33 6.187 -9.500 1.069 1.00 1.08 H new ATOM 0 HB VAL A 33 5.829 -7.454 -0.018 1.00 1.24 H new ATOM 0 HG11 VAL A 33 4.811 -7.262 -2.269 1.00 3.20 H new ATOM 0 HG12 VAL A 33 6.255 -8.302 -2.308 1.00 3.20 H new ATOM 0 HG13 VAL A 33 4.632 -9.031 -2.340 1.00 3.20 H new ATOM 0 HG21 VAL A 33 3.367 -7.205 -0.228 1.00 1.57 H new ATOM 0 HG22 VAL A 33 3.195 -8.975 -0.298 1.00 1.57 H new ATOM 0 HG23 VAL A 33 3.789 -8.197 1.188 1.00 1.57 H new ATOM 524 N THR A 34 4.042 -10.904 1.082 1.00 0.76 N ATOM 525 CA THR A 34 2.980 -11.950 1.090 1.00 0.85 C ATOM 526 C THR A 34 1.991 -11.688 -0.050 1.00 0.84 C ATOM 527 O THR A 34 1.699 -10.557 -0.384 1.00 0.81 O ATOM 528 CB THR A 34 2.245 -11.919 2.439 1.00 0.96 C ATOM 529 OG1 THR A 34 2.452 -13.152 3.113 1.00 1.11 O ATOM 530 CG2 THR A 34 0.742 -11.701 2.226 1.00 0.96 C ATOM 0 H THR A 34 4.163 -10.401 1.961 1.00 0.76 H new ATOM 0 HA THR A 34 3.432 -12.932 0.949 1.00 0.85 H new ATOM 0 HB THR A 34 2.637 -11.096 3.037 1.00 0.96 H new ATOM 0 HG1 THR A 34 1.986 -13.136 3.975 1.00 1.11 H new ATOM 0 HG21 THR A 34 0.237 -11.682 3.192 1.00 0.96 H new ATOM 0 HG22 THR A 34 0.581 -10.753 1.713 1.00 0.96 H new ATOM 0 HG23 THR A 34 0.339 -12.513 1.622 1.00 0.96 H new ATOM 538 N ASP A 35 1.471 -12.727 -0.645 1.00 0.88 N ATOM 539 CA ASP A 35 0.498 -12.542 -1.759 1.00 0.91 C ATOM 540 C ASP A 35 -0.923 -12.543 -1.193 1.00 0.97 C ATOM 541 O ASP A 35 -1.593 -13.556 -1.182 1.00 1.56 O ATOM 542 CB ASP A 35 0.640 -13.697 -2.760 1.00 0.91 C ATOM 543 CG ASP A 35 0.325 -13.207 -4.177 1.00 1.12 C ATOM 544 OD1 ASP A 35 0.286 -12.005 -4.379 1.00 1.12 O ATOM 545 OD2 ASP A 35 0.127 -14.047 -5.040 1.00 1.75 O ATOM 0 H ASP A 35 1.678 -13.697 -0.407 1.00 0.88 H new ATOM 0 HA ASP A 35 0.696 -11.595 -2.261 1.00 0.91 H new ATOM 0 HB2 ASP A 35 1.653 -14.099 -2.722 1.00 0.91 H new ATOM 0 HB3 ASP A 35 -0.035 -14.509 -2.489 1.00 0.91 H new ATOM 550 N ILE A 36 -1.395 -11.422 -0.721 1.00 0.44 N ATOM 551 CA ILE A 36 -2.776 -11.390 -0.164 1.00 0.51 C ATOM 552 C ILE A 36 -3.796 -11.591 -1.293 1.00 0.61 C ATOM 553 O ILE A 36 -4.929 -11.958 -1.052 1.00 0.93 O ATOM 554 CB ILE A 36 -3.027 -10.051 0.541 1.00 0.60 C ATOM 555 CG1 ILE A 36 -2.931 -8.898 -0.462 1.00 0.81 C ATOM 556 CG2 ILE A 36 -1.983 -9.852 1.640 1.00 0.44 C ATOM 557 CD1 ILE A 36 -3.495 -7.627 0.178 1.00 0.78 C ATOM 0 H ILE A 36 -0.890 -10.536 -0.697 1.00 0.44 H new ATOM 0 HA ILE A 36 -2.887 -12.195 0.562 1.00 0.51 H new ATOM 0 HB ILE A 36 -4.026 -10.062 0.976 1.00 0.60 H new ATOM 0 HG12 ILE A 36 -1.893 -8.742 -0.757 1.00 0.81 H new ATOM 0 HG13 ILE A 36 -3.486 -9.141 -1.368 1.00 0.81 H new ATOM 0 HG21 ILE A 36 -2.160 -8.901 2.142 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -2.057 -10.664 2.364 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -0.986 -9.849 1.199 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -3.429 -6.802 -0.532 1.00 0.78 H new ATOM 0 HD12 ILE A 36 -4.538 -7.789 0.451 1.00 0.78 H new ATOM 0 HD13 ILE A 36 -2.920 -7.384 1.071 1.00 0.78 H new ATOM 569 N PHE A 37 -3.409 -11.363 -2.524 1.00 0.74 N ATOM 570 CA PHE A 37 -4.367 -11.554 -3.652 1.00 0.82 C ATOM 571 C PHE A 37 -4.112 -12.913 -4.309 1.00 1.14 C ATOM 572 O PHE A 37 -4.314 -13.086 -5.495 1.00 1.34 O ATOM 573 CB PHE A 37 -4.165 -10.455 -4.697 1.00 0.81 C ATOM 574 CG PHE A 37 -4.096 -9.106 -4.023 1.00 0.60 C ATOM 575 CD1 PHE A 37 -5.142 -8.681 -3.197 1.00 0.35 C ATOM 576 CD2 PHE A 37 -2.988 -8.278 -4.234 1.00 0.88 C ATOM 577 CE1 PHE A 37 -5.079 -7.425 -2.582 1.00 0.47 C ATOM 578 CE2 PHE A 37 -2.925 -7.022 -3.621 1.00 0.69 C ATOM 579 CZ PHE A 37 -3.971 -6.596 -2.793 1.00 0.39 C ATOM 0 H PHE A 37 -2.475 -11.054 -2.794 1.00 0.74 H new ATOM 0 HA PHE A 37 -5.385 -11.509 -3.266 1.00 0.82 H new ATOM 0 HB2 PHE A 37 -3.248 -10.638 -5.256 1.00 0.81 H new ATOM 0 HB3 PHE A 37 -4.985 -10.470 -5.415 1.00 0.81 H new ATOM 0 HD1 PHE A 37 -5.997 -9.321 -3.034 1.00 0.35 H new ATOM 0 HD2 PHE A 37 -2.181 -8.609 -4.871 1.00 0.88 H new ATOM 0 HE1 PHE A 37 -5.886 -7.095 -1.944 1.00 0.47 H new ATOM 0 HE2 PHE A 37 -2.071 -6.382 -3.786 1.00 0.69 H new ATOM 0 HZ PHE A 37 -3.923 -5.628 -2.317 1.00 0.39 H new ATOM 589 N ALA A 38 -3.664 -13.876 -3.553 1.00 1.23 N ATOM 590 CA ALA A 38 -3.391 -15.217 -4.143 1.00 1.58 C ATOM 591 C ALA A 38 -4.560 -16.157 -3.850 1.00 1.65 C ATOM 592 O ALA A 38 -4.950 -16.956 -4.678 1.00 1.88 O ATOM 593 CB ALA A 38 -2.111 -15.789 -3.534 1.00 1.76 C ATOM 0 H ALA A 38 -3.475 -13.793 -2.554 1.00 1.23 H new ATOM 0 HA ALA A 38 -3.270 -15.119 -5.222 1.00 1.58 H new ATOM 0 HB1 ALA A 38 -1.910 -16.770 -3.965 1.00 1.76 H new ATOM 0 HB2 ALA A 38 -1.276 -15.121 -3.747 1.00 1.76 H new ATOM 0 HB3 ALA A 38 -2.233 -15.884 -2.455 1.00 1.76 H new ATOM 599 N ALA A 39 -5.121 -16.071 -2.678 1.00 1.53 N ATOM 600 CA ALA A 39 -6.264 -16.962 -2.334 1.00 1.72 C ATOM 601 C ALA A 39 -7.221 -16.231 -1.392 1.00 1.57 C ATOM 602 O ALA A 39 -7.341 -16.566 -0.231 1.00 1.90 O ATOM 603 CB ALA A 39 -5.737 -18.223 -1.647 1.00 2.26 C ATOM 0 H ALA A 39 -4.838 -15.423 -1.943 1.00 1.53 H new ATOM 0 HA ALA A 39 -6.795 -17.237 -3.245 1.00 1.72 H new ATOM 0 HB1 ALA A 39 -6.572 -18.876 -1.395 1.00 2.26 H new ATOM 0 HB2 ALA A 39 -5.057 -18.747 -2.319 1.00 2.26 H new ATOM 0 HB3 ALA A 39 -5.205 -17.946 -0.737 1.00 2.26 H new ATOM 609 N SER A 40 -7.908 -15.236 -1.884 1.00 1.44 N ATOM 610 CA SER A 40 -8.861 -14.489 -1.016 1.00 1.37 C ATOM 611 C SER A 40 -10.225 -15.180 -1.056 1.00 1.42 C ATOM 612 O SER A 40 -11.029 -14.937 -1.934 1.00 0.98 O ATOM 613 CB SER A 40 -8.998 -13.052 -1.525 1.00 1.01 C ATOM 614 OG SER A 40 -9.424 -13.071 -2.881 1.00 1.66 O ATOM 0 H SER A 40 -7.850 -14.909 -2.848 1.00 1.44 H new ATOM 0 HA SER A 40 -8.489 -14.473 0.009 1.00 1.37 H new ATOM 0 HB2 SER A 40 -9.716 -12.505 -0.914 1.00 1.01 H new ATOM 0 HB3 SER A 40 -8.044 -12.531 -1.439 1.00 1.01 H new ATOM 0 HG SER A 40 -10.195 -13.669 -2.973 1.00 1.66 H new ATOM 620 N LYS A 41 -10.491 -16.045 -0.115 1.00 2.02 N ATOM 621 CA LYS A 41 -11.800 -16.757 -0.102 1.00 2.17 C ATOM 622 C LYS A 41 -12.943 -15.742 -0.144 1.00 1.99 C ATOM 623 O LYS A 41 -13.673 -15.656 -1.112 1.00 2.44 O ATOM 624 CB LYS A 41 -11.909 -17.599 1.171 1.00 2.05 C ATOM 625 CG LYS A 41 -12.685 -18.881 0.868 1.00 2.09 C ATOM 626 CD LYS A 41 -14.176 -18.559 0.741 1.00 0.90 C ATOM 627 CE LYS A 41 -14.987 -19.853 0.826 1.00 2.04 C ATOM 628 NZ LYS A 41 -16.120 -19.795 -0.141 1.00 2.34 N ATOM 0 H LYS A 41 -9.857 -16.289 0.646 1.00 2.02 H new ATOM 0 HA LYS A 41 -11.866 -17.406 -0.975 1.00 2.17 H new ATOM 0 HB2 LYS A 41 -10.915 -17.843 1.545 1.00 2.05 H new ATOM 0 HB3 LYS A 41 -12.414 -17.032 1.953 1.00 2.05 H new ATOM 0 HG2 LYS A 41 -12.319 -19.330 -0.055 1.00 2.09 H new ATOM 0 HG3 LYS A 41 -12.526 -19.611 1.662 1.00 2.09 H new ATOM 0 HD2 LYS A 41 -14.480 -17.874 1.533 1.00 0.90 H new ATOM 0 HD3 LYS A 41 -14.371 -18.057 -0.207 1.00 0.90 H new ATOM 0 HE2 LYS A 41 -14.350 -20.709 0.605 1.00 2.04 H new ATOM 0 HE3 LYS A 41 -15.366 -19.991 1.839 1.00 2.04 H new ATOM 0 HZ1 LYS A 41 -16.671 -20.675 -0.083 1.00 2.34 H new ATOM 0 HZ2 LYS A 41 -16.732 -18.987 0.090 1.00 2.34 H new ATOM 0 HZ3 LYS A 41 -15.748 -19.683 -1.106 1.00 2.34 H new ATOM 642 N ASP A 42 -13.110 -14.972 0.897 1.00 1.55 N ATOM 643 CA ASP A 42 -14.211 -13.968 0.909 1.00 1.67 C ATOM 644 C ASP A 42 -13.934 -12.914 1.982 1.00 1.29 C ATOM 645 O ASP A 42 -14.649 -12.807 2.959 1.00 1.43 O ATOM 646 CB ASP A 42 -15.536 -14.668 1.216 1.00 2.05 C ATOM 647 CG ASP A 42 -16.172 -15.153 -0.088 1.00 3.38 C ATOM 648 OD1 ASP A 42 -16.333 -14.341 -0.984 1.00 4.18 O ATOM 649 OD2 ASP A 42 -16.490 -16.328 -0.168 1.00 3.99 O ATOM 0 H ASP A 42 -12.533 -14.995 1.738 1.00 1.55 H new ATOM 0 HA ASP A 42 -14.270 -13.486 -0.067 1.00 1.67 H new ATOM 0 HB2 ASP A 42 -15.367 -15.511 1.886 1.00 2.05 H new ATOM 0 HB3 ASP A 42 -16.211 -13.983 1.729 1.00 2.05 H new ATOM 654 N THR A 43 -12.906 -12.131 1.808 1.00 1.07 N ATOM 655 CA THR A 43 -12.590 -11.081 2.816 1.00 1.05 C ATOM 656 C THR A 43 -13.412 -9.827 2.510 1.00 1.05 C ATOM 657 O THR A 43 -14.170 -9.788 1.561 1.00 1.10 O ATOM 658 CB THR A 43 -11.097 -10.746 2.757 1.00 0.79 C ATOM 659 OG1 THR A 43 -10.412 -11.768 2.045 1.00 1.55 O ATOM 660 CG2 THR A 43 -10.537 -10.651 4.176 1.00 0.80 C ATOM 0 H THR A 43 -12.271 -12.173 1.011 1.00 1.07 H new ATOM 0 HA THR A 43 -12.836 -11.444 3.814 1.00 1.05 H new ATOM 0 HB THR A 43 -10.959 -9.792 2.249 1.00 0.79 H new ATOM 0 HG1 THR A 43 -9.456 -11.554 2.005 1.00 1.55 H new ATOM 0 HG21 THR A 43 -9.474 -10.413 4.133 1.00 0.80 H new ATOM 0 HG22 THR A 43 -11.063 -9.868 4.723 1.00 0.80 H new ATOM 0 HG23 THR A 43 -10.674 -11.605 4.686 1.00 0.80 H new ATOM 668 N THR A 44 -13.273 -8.803 3.306 1.00 1.29 N ATOM 669 CA THR A 44 -14.053 -7.559 3.057 1.00 1.54 C ATOM 670 C THR A 44 -13.132 -6.480 2.494 1.00 1.28 C ATOM 671 O THR A 44 -11.931 -6.645 2.443 1.00 1.31 O ATOM 672 CB THR A 44 -14.671 -7.072 4.371 1.00 2.08 C ATOM 673 OG1 THR A 44 -14.570 -8.099 5.348 1.00 2.34 O ATOM 674 CG2 THR A 44 -16.143 -6.721 4.147 1.00 2.29 C ATOM 0 H THR A 44 -12.654 -8.774 4.116 1.00 1.29 H new ATOM 0 HA THR A 44 -14.846 -7.767 2.338 1.00 1.54 H new ATOM 0 HB THR A 44 -14.138 -6.186 4.717 1.00 2.08 H new ATOM 0 HG1 THR A 44 -14.963 -7.789 6.190 1.00 2.34 H new ATOM 0 HG21 THR A 44 -16.581 -6.375 5.083 1.00 2.29 H new ATOM 0 HG22 THR A 44 -16.219 -5.933 3.397 1.00 2.29 H new ATOM 0 HG23 THR A 44 -16.679 -7.605 3.801 1.00 2.29 H new ATOM 682 N GLU A 45 -13.684 -5.377 2.068 1.00 1.14 N ATOM 683 CA GLU A 45 -12.830 -4.292 1.512 1.00 1.04 C ATOM 684 C GLU A 45 -12.112 -3.584 2.661 1.00 0.74 C ATOM 685 O GLU A 45 -10.991 -3.137 2.521 1.00 0.67 O ATOM 686 CB GLU A 45 -13.691 -3.287 0.734 1.00 1.24 C ATOM 687 CG GLU A 45 -14.802 -2.731 1.632 1.00 1.52 C ATOM 688 CD GLU A 45 -16.113 -2.679 0.843 1.00 2.32 C ATOM 689 OE1 GLU A 45 -16.066 -2.322 -0.323 1.00 2.09 O ATOM 690 OE2 GLU A 45 -17.141 -2.997 1.418 1.00 3.37 O ATOM 0 H GLU A 45 -14.685 -5.181 2.081 1.00 1.14 H new ATOM 0 HA GLU A 45 -12.096 -4.721 0.830 1.00 1.04 H new ATOM 0 HB2 GLU A 45 -13.068 -2.471 0.367 1.00 1.24 H new ATOM 0 HB3 GLU A 45 -14.128 -3.771 -0.139 1.00 1.24 H new ATOM 0 HG2 GLU A 45 -14.920 -3.359 2.515 1.00 1.52 H new ATOM 0 HG3 GLU A 45 -14.536 -1.734 1.984 1.00 1.52 H new ATOM 697 N LYS A 46 -12.739 -3.490 3.804 1.00 0.67 N ATOM 698 CA LYS A 46 -12.078 -2.822 4.958 1.00 0.38 C ATOM 699 C LYS A 46 -11.041 -3.773 5.560 1.00 0.33 C ATOM 700 O LYS A 46 -10.029 -3.351 6.087 1.00 0.28 O ATOM 701 CB LYS A 46 -13.124 -2.445 6.013 1.00 0.35 C ATOM 702 CG LYS A 46 -13.953 -3.673 6.398 1.00 0.69 C ATOM 703 CD LYS A 46 -13.710 -4.006 7.871 1.00 1.50 C ATOM 704 CE LYS A 46 -14.281 -2.889 8.747 1.00 1.49 C ATOM 705 NZ LYS A 46 -15.611 -3.303 9.278 1.00 1.67 N ATOM 0 H LYS A 46 -13.677 -3.846 3.986 1.00 0.67 H new ATOM 0 HA LYS A 46 -11.582 -1.912 4.620 1.00 0.38 H new ATOM 0 HB2 LYS A 46 -12.631 -2.039 6.896 1.00 0.35 H new ATOM 0 HB3 LYS A 46 -13.777 -1.663 5.625 1.00 0.35 H new ATOM 0 HG2 LYS A 46 -15.012 -3.479 6.227 1.00 0.69 H new ATOM 0 HG3 LYS A 46 -13.679 -4.522 5.771 1.00 0.69 H new ATOM 0 HD2 LYS A 46 -14.180 -4.957 8.122 1.00 1.50 H new ATOM 0 HD3 LYS A 46 -12.642 -4.120 8.058 1.00 1.50 H new ATOM 0 HE2 LYS A 46 -13.600 -2.674 9.570 1.00 1.49 H new ATOM 0 HE3 LYS A 46 -14.379 -1.972 8.167 1.00 1.49 H new ATOM 0 HZ1 LYS A 46 -15.999 -2.544 9.873 1.00 1.67 H new ATOM 0 HZ2 LYS A 46 -16.259 -3.487 8.486 1.00 1.67 H new ATOM 0 HZ3 LYS A 46 -15.504 -4.168 9.846 1.00 1.67 H new ATOM 719 N GLU A 47 -11.272 -5.055 5.466 1.00 0.40 N ATOM 720 CA GLU A 47 -10.288 -6.027 6.011 1.00 0.40 C ATOM 721 C GLU A 47 -9.086 -6.081 5.070 1.00 0.32 C ATOM 722 O GLU A 47 -7.964 -6.295 5.487 1.00 0.25 O ATOM 723 CB GLU A 47 -10.932 -7.412 6.100 1.00 0.58 C ATOM 724 CG GLU A 47 -10.308 -8.192 7.258 1.00 1.20 C ATOM 725 CD GLU A 47 -11.156 -9.430 7.553 1.00 1.15 C ATOM 726 OE1 GLU A 47 -12.186 -9.281 8.189 1.00 0.99 O ATOM 727 OE2 GLU A 47 -10.763 -10.506 7.135 1.00 1.86 O ATOM 0 H GLU A 47 -12.099 -5.468 5.036 1.00 0.40 H new ATOM 0 HA GLU A 47 -9.969 -5.718 7.007 1.00 0.40 H new ATOM 0 HB2 GLU A 47 -12.007 -7.316 6.250 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -10.788 -7.952 5.164 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -9.290 -8.487 7.005 1.00 1.20 H new ATOM 0 HG3 GLU A 47 -10.246 -7.561 8.144 1.00 1.20 H new ATOM 734 N THR A 48 -9.314 -5.881 3.800 1.00 0.38 N ATOM 735 CA THR A 48 -8.191 -5.910 2.825 1.00 0.36 C ATOM 736 C THR A 48 -7.359 -4.634 2.971 1.00 0.36 C ATOM 737 O THR A 48 -6.165 -4.634 2.750 1.00 0.36 O ATOM 738 CB THR A 48 -8.751 -5.997 1.404 1.00 0.47 C ATOM 739 OG1 THR A 48 -9.592 -7.137 1.297 1.00 0.61 O ATOM 740 CG2 THR A 48 -7.599 -6.113 0.404 1.00 0.39 C ATOM 0 H THR A 48 -10.233 -5.698 3.397 1.00 0.38 H new ATOM 0 HA THR A 48 -7.562 -6.778 3.019 1.00 0.36 H new ATOM 0 HB THR A 48 -9.328 -5.098 1.185 1.00 0.47 H new ATOM 0 HG1 THR A 48 -10.511 -6.889 1.532 1.00 0.61 H new ATOM 0 HG21 THR A 48 -8.000 -6.175 -0.608 1.00 0.39 H new ATOM 0 HG22 THR A 48 -6.956 -5.237 0.486 1.00 0.39 H new ATOM 0 HG23 THR A 48 -7.019 -7.010 0.620 1.00 0.39 H new ATOM 748 N PHE A 49 -7.977 -3.545 3.342 1.00 0.39 N ATOM 749 CA PHE A 49 -7.212 -2.275 3.501 1.00 0.45 C ATOM 750 C PHE A 49 -6.276 -2.395 4.707 1.00 0.38 C ATOM 751 O PHE A 49 -5.124 -2.011 4.649 1.00 0.43 O ATOM 752 CB PHE A 49 -8.178 -1.106 3.732 1.00 0.47 C ATOM 753 CG PHE A 49 -8.919 -0.770 2.454 1.00 0.70 C ATOM 754 CD1 PHE A 49 -8.245 -0.735 1.224 1.00 0.65 C ATOM 755 CD2 PHE A 49 -10.291 -0.493 2.505 1.00 1.39 C ATOM 756 CE1 PHE A 49 -8.946 -0.426 0.051 1.00 0.83 C ATOM 757 CE2 PHE A 49 -10.990 -0.187 1.332 1.00 1.59 C ATOM 758 CZ PHE A 49 -10.318 -0.154 0.106 1.00 1.16 C ATOM 0 H PHE A 49 -8.975 -3.480 3.541 1.00 0.39 H new ATOM 0 HA PHE A 49 -6.633 -2.092 2.596 1.00 0.45 H new ATOM 0 HB2 PHE A 49 -8.891 -1.365 4.515 1.00 0.47 H new ATOM 0 HB3 PHE A 49 -7.625 -0.233 4.079 1.00 0.47 H new ATOM 0 HD1 PHE A 49 -7.187 -0.946 1.181 1.00 0.65 H new ATOM 0 HD2 PHE A 49 -10.811 -0.516 3.452 1.00 1.39 H new ATOM 0 HE1 PHE A 49 -8.428 -0.398 -0.896 1.00 0.83 H new ATOM 0 HE2 PHE A 49 -12.048 0.024 1.373 1.00 1.59 H new ATOM 0 HZ PHE A 49 -10.858 0.082 -0.799 1.00 1.16 H new ATOM 768 N CYS A 50 -6.762 -2.916 5.801 1.00 0.36 N ATOM 769 CA CYS A 50 -5.898 -3.047 7.010 1.00 0.38 C ATOM 770 C CYS A 50 -4.775 -4.053 6.747 1.00 0.41 C ATOM 771 O CYS A 50 -3.648 -3.850 7.148 1.00 0.47 O ATOM 772 CB CYS A 50 -6.741 -3.526 8.193 1.00 0.39 C ATOM 773 SG CYS A 50 -5.645 -4.097 9.517 1.00 1.01 S ATOM 0 H CYS A 50 -7.717 -3.256 5.910 1.00 0.36 H new ATOM 0 HA CYS A 50 -5.461 -2.075 7.240 1.00 0.38 H new ATOM 0 HB2 CYS A 50 -7.375 -2.716 8.554 1.00 0.39 H new ATOM 0 HB3 CYS A 50 -7.403 -4.333 7.879 1.00 0.39 H new ATOM 778 N ARG A 51 -5.067 -5.136 6.081 1.00 0.39 N ATOM 779 CA ARG A 51 -4.004 -6.143 5.801 1.00 0.42 C ATOM 780 C ARG A 51 -2.875 -5.470 5.020 1.00 0.43 C ATOM 781 O ARG A 51 -1.736 -5.438 5.449 1.00 0.45 O ATOM 782 CB ARG A 51 -4.590 -7.290 4.974 1.00 0.50 C ATOM 783 CG ARG A 51 -3.815 -8.579 5.262 1.00 1.42 C ATOM 784 CD ARG A 51 -4.800 -9.710 5.565 1.00 1.07 C ATOM 785 NE ARG A 51 -5.087 -10.464 4.310 1.00 1.66 N ATOM 786 CZ ARG A 51 -5.687 -11.632 4.343 1.00 1.39 C ATOM 787 NH1 ARG A 51 -6.058 -12.175 5.478 1.00 1.35 N ATOM 788 NH2 ARG A 51 -5.919 -12.265 3.226 1.00 2.40 N ATOM 0 H ARG A 51 -5.992 -5.367 5.719 1.00 0.39 H new ATOM 0 HA ARG A 51 -3.616 -6.541 6.739 1.00 0.42 H new ATOM 0 HB2 ARG A 51 -5.644 -7.425 5.217 1.00 0.50 H new ATOM 0 HB3 ARG A 51 -4.536 -7.051 3.912 1.00 0.50 H new ATOM 0 HG2 ARG A 51 -3.195 -8.842 4.405 1.00 1.42 H new ATOM 0 HG3 ARG A 51 -3.144 -8.431 6.108 1.00 1.42 H new ATOM 0 HD2 ARG A 51 -4.383 -10.379 6.317 1.00 1.07 H new ATOM 0 HD3 ARG A 51 -5.723 -9.303 5.977 1.00 1.07 H new ATOM 0 HE ARG A 51 -4.813 -10.066 3.412 1.00 1.66 H new ATOM 0 HH11 ARG A 51 -5.882 -11.689 6.357 1.00 1.35 H new ATOM 0 HH12 ARG A 51 -6.523 -13.083 5.481 1.00 1.35 H new ATOM 0 HH21 ARG A 51 -5.635 -11.852 2.337 1.00 2.40 H new ATOM 0 HH22 ARG A 51 -6.384 -13.173 3.241 1.00 2.40 H new ATOM 802 N ALA A 52 -3.186 -4.923 3.879 1.00 0.42 N ATOM 803 CA ALA A 52 -2.139 -4.240 3.072 1.00 0.44 C ATOM 804 C ALA A 52 -1.593 -3.032 3.844 1.00 0.47 C ATOM 805 O ALA A 52 -0.541 -2.517 3.529 1.00 0.56 O ATOM 806 CB ALA A 52 -2.740 -3.770 1.748 1.00 0.41 C ATOM 0 H ALA A 52 -4.121 -4.920 3.470 1.00 0.42 H new ATOM 0 HA ALA A 52 -1.325 -4.938 2.875 1.00 0.44 H new ATOM 0 HB1 ALA A 52 -1.973 -3.270 1.157 1.00 0.41 H new ATOM 0 HB2 ALA A 52 -3.120 -4.629 1.196 1.00 0.41 H new ATOM 0 HB3 ALA A 52 -3.556 -3.075 1.945 1.00 0.41 H new ATOM 812 N ALA A 53 -2.291 -2.571 4.854 1.00 0.41 N ATOM 813 CA ALA A 53 -1.787 -1.401 5.629 1.00 0.45 C ATOM 814 C ALA A 53 -0.650 -1.859 6.543 1.00 0.48 C ATOM 815 O ALA A 53 0.280 -1.124 6.810 1.00 0.55 O ATOM 816 CB ALA A 53 -2.918 -0.819 6.479 1.00 0.44 C ATOM 0 H ALA A 53 -3.182 -2.953 5.171 1.00 0.41 H new ATOM 0 HA ALA A 53 -1.425 -0.637 4.941 1.00 0.45 H new ATOM 0 HB1 ALA A 53 -2.546 0.036 7.044 1.00 0.44 H new ATOM 0 HB2 ALA A 53 -3.733 -0.498 5.830 1.00 0.44 H new ATOM 0 HB3 ALA A 53 -3.282 -1.579 7.170 1.00 0.44 H new ATOM 822 N THR A 54 -0.713 -3.074 7.016 1.00 0.45 N ATOM 823 CA THR A 54 0.368 -3.584 7.900 1.00 0.48 C ATOM 824 C THR A 54 1.604 -3.856 7.047 1.00 0.48 C ATOM 825 O THR A 54 2.709 -3.491 7.397 1.00 0.49 O ATOM 826 CB THR A 54 -0.083 -4.883 8.571 1.00 0.46 C ATOM 827 OG1 THR A 54 -0.829 -4.576 9.741 1.00 0.47 O ATOM 828 CG2 THR A 54 1.146 -5.712 8.947 1.00 0.47 C ATOM 0 H THR A 54 -1.467 -3.734 6.827 1.00 0.45 H new ATOM 0 HA THR A 54 0.596 -2.847 8.670 1.00 0.48 H new ATOM 0 HB THR A 54 -0.708 -5.453 7.884 1.00 0.46 H new ATOM 0 HG1 THR A 54 -1.120 -5.407 10.171 1.00 0.47 H new ATOM 0 HG21 THR A 54 0.828 -6.638 9.425 1.00 0.47 H new ATOM 0 HG22 THR A 54 1.716 -5.945 8.048 1.00 0.47 H new ATOM 0 HG23 THR A 54 1.771 -5.144 9.636 1.00 0.47 H new ATOM 836 N VAL A 55 1.422 -4.487 5.920 1.00 0.46 N ATOM 837 CA VAL A 55 2.583 -4.771 5.033 1.00 0.45 C ATOM 838 C VAL A 55 3.247 -3.444 4.661 1.00 0.42 C ATOM 839 O VAL A 55 4.458 -3.320 4.645 1.00 0.40 O ATOM 840 CB VAL A 55 2.094 -5.481 3.768 1.00 0.52 C ATOM 841 CG1 VAL A 55 3.297 -5.998 2.977 1.00 0.24 C ATOM 842 CG2 VAL A 55 1.200 -6.660 4.162 1.00 0.76 C ATOM 0 H VAL A 55 0.520 -4.818 5.576 1.00 0.46 H new ATOM 0 HA VAL A 55 3.301 -5.412 5.544 1.00 0.45 H new ATOM 0 HB VAL A 55 1.527 -4.782 3.153 1.00 0.52 H new ATOM 0 HG11 VAL A 55 2.950 -6.504 2.076 1.00 0.24 H new ATOM 0 HG12 VAL A 55 3.937 -5.161 2.699 1.00 0.24 H new ATOM 0 HG13 VAL A 55 3.863 -6.699 3.591 1.00 0.24 H new ATOM 0 HG21 VAL A 55 0.850 -7.168 3.263 1.00 0.76 H new ATOM 0 HG22 VAL A 55 1.769 -7.359 4.775 1.00 0.76 H new ATOM 0 HG23 VAL A 55 0.344 -6.294 4.728 1.00 0.76 H new ATOM 852 N LEU A 56 2.457 -2.445 4.378 1.00 0.49 N ATOM 853 CA LEU A 56 3.027 -1.118 4.020 1.00 0.47 C ATOM 854 C LEU A 56 3.729 -0.530 5.244 1.00 0.45 C ATOM 855 O LEU A 56 4.683 0.211 5.125 1.00 0.43 O ATOM 856 CB LEU A 56 1.903 -0.178 3.579 1.00 0.55 C ATOM 857 CG LEU A 56 1.995 0.060 2.072 1.00 0.65 C ATOM 858 CD1 LEU A 56 1.518 -1.188 1.327 1.00 0.80 C ATOM 859 CD2 LEU A 56 1.109 1.249 1.692 1.00 0.63 C ATOM 0 H LEU A 56 1.438 -2.492 4.380 1.00 0.49 H new ATOM 0 HA LEU A 56 3.740 -1.234 3.204 1.00 0.47 H new ATOM 0 HB2 LEU A 56 0.934 -0.610 3.831 1.00 0.55 H new ATOM 0 HB3 LEU A 56 1.978 0.770 4.112 1.00 0.55 H new ATOM 0 HG LEU A 56 3.029 0.272 1.799 1.00 0.65 H new ATOM 0 HD11 LEU A 56 1.584 -1.018 0.252 1.00 0.80 H new ATOM 0 HD12 LEU A 56 2.146 -2.036 1.599 1.00 0.80 H new ATOM 0 HD13 LEU A 56 0.484 -1.400 1.598 1.00 0.80 H new ATOM 0 HD21 LEU A 56 1.172 1.421 0.618 1.00 0.63 H new ATOM 0 HD22 LEU A 56 0.076 1.035 1.965 1.00 0.63 H new ATOM 0 HD23 LEU A 56 1.447 2.139 2.223 1.00 0.63 H new ATOM 871 N ARG A 57 3.265 -0.855 6.422 1.00 0.50 N ATOM 872 CA ARG A 57 3.911 -0.315 7.651 1.00 0.55 C ATOM 873 C ARG A 57 5.376 -0.750 7.680 1.00 0.60 C ATOM 874 O ARG A 57 6.278 0.063 7.732 1.00 0.76 O ATOM 875 CB ARG A 57 3.194 -0.858 8.889 1.00 0.53 C ATOM 876 CG ARG A 57 3.788 -0.217 10.146 1.00 0.39 C ATOM 877 CD ARG A 57 3.469 -1.084 11.364 1.00 0.39 C ATOM 878 NE ARG A 57 2.522 -0.354 12.256 1.00 0.84 N ATOM 879 CZ ARG A 57 1.866 -0.981 13.205 1.00 1.24 C ATOM 880 NH1 ARG A 57 2.012 -2.270 13.399 1.00 1.52 N ATOM 881 NH2 ARG A 57 1.051 -0.307 13.970 1.00 2.00 N ATOM 0 H ARG A 57 2.468 -1.470 6.585 1.00 0.50 H new ATOM 0 HA ARG A 57 3.850 0.773 7.648 1.00 0.55 H new ATOM 0 HB2 ARG A 57 2.127 -0.643 8.828 1.00 0.53 H new ATOM 0 HB3 ARG A 57 3.299 -1.942 8.937 1.00 0.53 H new ATOM 0 HG2 ARG A 57 4.867 -0.109 10.036 1.00 0.39 H new ATOM 0 HG3 ARG A 57 3.380 0.784 10.283 1.00 0.39 H new ATOM 0 HD2 ARG A 57 3.031 -2.030 11.046 1.00 0.39 H new ATOM 0 HD3 ARG A 57 4.385 -1.322 11.905 1.00 0.39 H new ATOM 0 HE ARG A 57 2.382 0.648 12.127 1.00 0.84 H new ATOM 0 HH11 ARG A 57 2.646 -2.806 12.806 1.00 1.52 H new ATOM 0 HH12 ARG A 57 1.492 -2.736 14.143 1.00 1.52 H new ATOM 0 HH21 ARG A 57 0.929 0.696 13.827 1.00 2.00 H new ATOM 0 HH22 ARG A 57 0.536 -0.783 14.711 1.00 2.00 H new ATOM 895 N GLN A 58 5.624 -2.029 7.642 1.00 0.54 N ATOM 896 CA GLN A 58 7.032 -2.507 7.660 1.00 0.68 C ATOM 897 C GLN A 58 7.778 -1.932 6.451 1.00 0.66 C ATOM 898 O GLN A 58 8.985 -1.795 6.464 1.00 0.70 O ATOM 899 CB GLN A 58 7.056 -4.035 7.595 1.00 0.70 C ATOM 900 CG GLN A 58 7.746 -4.588 8.844 1.00 0.99 C ATOM 901 CD GLN A 58 9.253 -4.347 8.743 1.00 2.40 C ATOM 902 OE1 GLN A 58 9.749 -3.330 9.186 1.00 3.76 O ATOM 903 NE2 GLN A 58 10.009 -5.246 8.174 1.00 2.51 N ATOM 0 H GLN A 58 4.915 -2.761 7.599 1.00 0.54 H new ATOM 0 HA GLN A 58 7.516 -2.177 8.579 1.00 0.68 H new ATOM 0 HB2 GLN A 58 6.040 -4.423 7.526 1.00 0.70 H new ATOM 0 HB3 GLN A 58 7.584 -4.363 6.700 1.00 0.70 H new ATOM 0 HG2 GLN A 58 7.349 -4.104 9.736 1.00 0.99 H new ATOM 0 HG3 GLN A 58 7.543 -5.654 8.942 1.00 0.99 H new ATOM 0 HE21 GLN A 58 9.594 -6.100 7.802 1.00 2.51 H new ATOM 0 HE22 GLN A 58 11.015 -5.095 8.102 1.00 2.51 H new ATOM 912 N PHE A 59 7.072 -1.606 5.400 1.00 0.59 N ATOM 913 CA PHE A 59 7.745 -1.056 4.191 1.00 0.55 C ATOM 914 C PHE A 59 8.247 0.374 4.454 1.00 0.65 C ATOM 915 O PHE A 59 9.252 0.789 3.921 1.00 0.81 O ATOM 916 CB PHE A 59 6.752 -1.056 3.024 1.00 0.32 C ATOM 917 CG PHE A 59 7.414 -0.522 1.774 1.00 0.44 C ATOM 918 CD1 PHE A 59 8.740 -0.861 1.477 1.00 1.47 C ATOM 919 CD2 PHE A 59 6.694 0.307 0.905 1.00 0.79 C ATOM 920 CE1 PHE A 59 9.345 -0.370 0.315 1.00 1.63 C ATOM 921 CE2 PHE A 59 7.300 0.798 -0.257 1.00 0.68 C ATOM 922 CZ PHE A 59 8.625 0.459 -0.552 1.00 0.72 C ATOM 0 H PHE A 59 6.059 -1.698 5.329 1.00 0.59 H new ATOM 0 HA PHE A 59 8.605 -1.679 3.945 1.00 0.55 H new ATOM 0 HB2 PHE A 59 6.388 -2.068 2.847 1.00 0.32 H new ATOM 0 HB3 PHE A 59 5.885 -0.444 3.275 1.00 0.32 H new ATOM 0 HD1 PHE A 59 9.296 -1.502 2.145 1.00 1.47 H new ATOM 0 HD2 PHE A 59 5.671 0.568 1.132 1.00 0.79 H new ATOM 0 HE1 PHE A 59 10.368 -0.631 0.087 1.00 1.63 H new ATOM 0 HE2 PHE A 59 6.745 1.439 -0.926 1.00 0.68 H new ATOM 0 HZ PHE A 59 9.092 0.837 -1.449 1.00 0.72 H new ATOM 932 N TYR A 60 7.563 1.138 5.260 1.00 0.61 N ATOM 933 CA TYR A 60 8.030 2.533 5.526 1.00 0.70 C ATOM 934 C TYR A 60 8.943 2.578 6.759 1.00 0.73 C ATOM 935 O TYR A 60 9.558 3.586 7.038 1.00 0.86 O ATOM 936 CB TYR A 60 6.819 3.452 5.741 1.00 0.71 C ATOM 937 CG TYR A 60 6.632 3.738 7.213 1.00 0.65 C ATOM 938 CD1 TYR A 60 7.270 4.837 7.803 1.00 0.69 C ATOM 939 CD2 TYR A 60 5.816 2.907 7.987 1.00 0.59 C ATOM 940 CE1 TYR A 60 7.091 5.102 9.167 1.00 0.70 C ATOM 941 CE2 TYR A 60 5.637 3.171 9.350 1.00 0.61 C ATOM 942 CZ TYR A 60 6.275 4.267 9.940 1.00 0.67 C ATOM 943 OH TYR A 60 6.099 4.527 11.284 1.00 0.74 O ATOM 0 H TYR A 60 6.708 0.863 5.743 1.00 0.61 H new ATOM 0 HA TYR A 60 8.601 2.877 4.663 1.00 0.70 H new ATOM 0 HB2 TYR A 60 6.962 4.386 5.197 1.00 0.71 H new ATOM 0 HB3 TYR A 60 5.922 2.983 5.338 1.00 0.71 H new ATOM 0 HD1 TYR A 60 7.900 5.480 7.206 1.00 0.69 H new ATOM 0 HD2 TYR A 60 5.323 2.060 7.533 1.00 0.59 H new ATOM 0 HE1 TYR A 60 7.582 5.950 9.622 1.00 0.70 H new ATOM 0 HE2 TYR A 60 5.006 2.528 9.946 1.00 0.61 H new ATOM 0 HH TYR A 60 5.503 3.853 11.672 1.00 0.74 H new ATOM 953 N SER A 61 9.031 1.516 7.511 1.00 0.65 N ATOM 954 CA SER A 61 9.893 1.548 8.726 1.00 0.73 C ATOM 955 C SER A 61 11.329 1.102 8.414 1.00 0.88 C ATOM 956 O SER A 61 12.278 1.801 8.708 1.00 1.03 O ATOM 957 CB SER A 61 9.300 0.612 9.778 1.00 0.69 C ATOM 958 OG SER A 61 8.752 1.383 10.839 1.00 1.31 O ATOM 0 H SER A 61 8.548 0.634 7.339 1.00 0.65 H new ATOM 0 HA SER A 61 9.928 2.574 9.092 1.00 0.73 H new ATOM 0 HB2 SER A 61 8.527 -0.013 9.331 1.00 0.69 H new ATOM 0 HB3 SER A 61 10.070 -0.058 10.160 1.00 0.69 H new ATOM 0 HG SER A 61 8.369 0.785 11.514 1.00 1.31 H new ATOM 964 N HIS A 62 11.503 -0.071 7.869 1.00 0.84 N ATOM 965 CA HIS A 62 12.889 -0.570 7.601 1.00 0.98 C ATOM 966 C HIS A 62 13.386 -0.211 6.193 1.00 0.88 C ATOM 967 O HIS A 62 14.522 0.183 6.020 1.00 0.98 O ATOM 968 CB HIS A 62 12.914 -2.090 7.765 1.00 1.04 C ATOM 969 CG HIS A 62 13.574 -2.443 9.070 1.00 1.40 C ATOM 970 ND1 HIS A 62 12.938 -2.274 10.290 1.00 2.14 N ATOM 971 CD2 HIS A 62 14.815 -2.955 9.362 1.00 2.15 C ATOM 972 CE1 HIS A 62 13.789 -2.679 11.250 1.00 2.14 C ATOM 973 NE2 HIS A 62 14.948 -3.103 10.740 1.00 2.11 N ATOM 0 H HIS A 62 10.752 -0.705 7.598 1.00 0.84 H new ATOM 0 HA HIS A 62 13.553 -0.086 8.316 1.00 0.98 H new ATOM 0 HB2 HIS A 62 11.899 -2.486 7.740 1.00 1.04 H new ATOM 0 HB3 HIS A 62 13.455 -2.547 6.936 1.00 1.04 H new ATOM 0 HD2 HIS A 62 15.572 -3.205 8.633 1.00 2.15 H new ATOM 0 HE1 HIS A 62 13.562 -2.663 12.306 1.00 2.14 H new ATOM 0 HE2 HIS A 62 15.757 -3.459 11.250 1.00 2.11 H new ATOM 981 N HIS A 63 12.580 -0.383 5.181 1.00 0.67 N ATOM 982 CA HIS A 63 13.066 -0.087 3.797 1.00 0.59 C ATOM 983 C HIS A 63 13.418 1.397 3.637 1.00 0.66 C ATOM 984 O HIS A 63 14.139 1.768 2.732 1.00 0.83 O ATOM 985 CB HIS A 63 11.998 -0.472 2.772 1.00 0.69 C ATOM 986 CG HIS A 63 11.823 -1.967 2.760 1.00 0.35 C ATOM 987 ND1 HIS A 63 11.649 -2.881 3.771 1.00 1.32 N flip ATOM 988 CD2 HIS A 63 11.811 -2.700 1.583 1.00 1.10 C flip ATOM 989 CE1 HIS A 63 11.531 -4.159 3.233 1.00 1.03 C flip ATOM 990 NE2 HIS A 63 11.635 -3.993 1.912 1.00 0.89 N flip ATOM 0 H HIS A 63 11.617 -0.712 5.247 1.00 0.67 H new ATOM 0 HA HIS A 63 13.967 -0.676 3.626 1.00 0.59 H new ATOM 0 HB2 HIS A 63 11.053 0.013 3.017 1.00 0.69 H new ATOM 0 HB3 HIS A 63 12.288 -0.122 1.781 1.00 0.69 H new ATOM 0 HD1 HIS A 63 11.612 -2.657 4.765 1.00 1.32 H new ATOM 0 HD2 HIS A 63 11.923 -2.305 0.584 1.00 1.10 H new ATOM 0 HE1 HIS A 63 11.386 -5.086 3.769 1.00 1.03 H new ATOM 998 N GLU A 64 12.932 2.252 4.495 1.00 0.70 N ATOM 999 CA GLU A 64 13.272 3.699 4.354 1.00 0.77 C ATOM 1000 C GLU A 64 14.698 3.939 4.864 1.00 0.58 C ATOM 1001 O GLU A 64 15.379 4.844 4.425 1.00 0.74 O ATOM 1002 CB GLU A 64 12.280 4.552 5.153 1.00 0.97 C ATOM 1003 CG GLU A 64 12.311 4.143 6.626 1.00 0.93 C ATOM 1004 CD GLU A 64 11.710 5.260 7.481 1.00 0.74 C ATOM 1005 OE1 GLU A 64 10.684 5.793 7.093 1.00 1.46 O ATOM 1006 OE2 GLU A 64 12.288 5.565 8.511 1.00 1.02 O ATOM 0 H GLU A 64 12.322 2.017 5.278 1.00 0.70 H new ATOM 0 HA GLU A 64 13.211 3.983 3.303 1.00 0.77 H new ATOM 0 HB2 GLU A 64 12.533 5.608 5.054 1.00 0.97 H new ATOM 0 HB3 GLU A 64 11.274 4.426 4.753 1.00 0.97 H new ATOM 0 HG2 GLU A 64 11.750 3.220 6.769 1.00 0.93 H new ATOM 0 HG3 GLU A 64 13.337 3.945 6.937 1.00 0.93 H new ATOM 1013 N LYS A 65 15.156 3.133 5.786 1.00 0.51 N ATOM 1014 CA LYS A 65 16.537 3.313 6.321 1.00 0.62 C ATOM 1015 C LYS A 65 17.423 2.122 5.922 1.00 0.59 C ATOM 1016 O LYS A 65 18.513 1.960 6.433 1.00 0.61 O ATOM 1017 CB LYS A 65 16.480 3.404 7.848 1.00 0.72 C ATOM 1018 CG LYS A 65 16.748 4.846 8.286 1.00 1.35 C ATOM 1019 CD LYS A 65 15.739 5.249 9.364 1.00 2.45 C ATOM 1020 CE LYS A 65 16.481 5.845 10.563 1.00 2.90 C ATOM 1021 NZ LYS A 65 15.751 7.050 11.050 1.00 4.07 N ATOM 0 H LYS A 65 14.632 2.357 6.192 1.00 0.51 H new ATOM 0 HA LYS A 65 16.960 4.228 5.906 1.00 0.62 H new ATOM 0 HB2 LYS A 65 15.503 3.080 8.206 1.00 0.72 H new ATOM 0 HB3 LYS A 65 17.219 2.736 8.290 1.00 0.72 H new ATOM 0 HG2 LYS A 65 17.764 4.937 8.671 1.00 1.35 H new ATOM 0 HG3 LYS A 65 16.670 5.517 7.431 1.00 1.35 H new ATOM 0 HD2 LYS A 65 15.033 5.976 8.962 1.00 2.45 H new ATOM 0 HD3 LYS A 65 15.159 4.381 9.677 1.00 2.45 H new ATOM 0 HE2 LYS A 65 16.558 5.106 11.361 1.00 2.90 H new ATOM 0 HE3 LYS A 65 17.498 6.113 10.278 1.00 2.90 H new ATOM 0 HZ1 LYS A 65 16.255 7.455 11.865 1.00 4.07 H new ATOM 0 HZ2 LYS A 65 15.700 7.756 10.288 1.00 4.07 H new ATOM 0 HZ3 LYS A 65 14.789 6.780 11.337 1.00 4.07 H new ATOM 1035 N ASP A 66 16.977 1.288 5.017 1.00 0.70 N ATOM 1036 CA ASP A 66 17.813 0.123 4.607 1.00 0.74 C ATOM 1037 C ASP A 66 18.705 0.526 3.432 1.00 0.71 C ATOM 1038 O ASP A 66 18.374 1.407 2.663 1.00 0.72 O ATOM 1039 CB ASP A 66 16.907 -1.036 4.186 1.00 0.73 C ATOM 1040 CG ASP A 66 16.672 -1.963 5.381 1.00 1.41 C ATOM 1041 OD1 ASP A 66 16.690 -1.473 6.498 1.00 2.08 O ATOM 1042 OD2 ASP A 66 16.477 -3.147 5.158 1.00 1.38 O ATOM 0 H ASP A 66 16.075 1.364 4.547 1.00 0.70 H new ATOM 0 HA ASP A 66 18.434 -0.190 5.446 1.00 0.74 H new ATOM 0 HB2 ASP A 66 15.956 -0.652 3.818 1.00 0.73 H new ATOM 0 HB3 ASP A 66 17.365 -1.590 3.367 1.00 0.73 H new ATOM 1047 N THR A 67 19.835 -0.109 3.287 1.00 0.72 N ATOM 1048 CA THR A 67 20.749 0.241 2.163 1.00 0.71 C ATOM 1049 C THR A 67 20.327 -0.516 0.898 1.00 0.71 C ATOM 1050 O THR A 67 20.569 -0.074 -0.208 1.00 0.69 O ATOM 1051 CB THR A 67 22.182 -0.145 2.536 1.00 0.77 C ATOM 1052 OG1 THR A 67 22.329 -1.555 2.449 1.00 1.45 O ATOM 1053 CG2 THR A 67 22.480 0.314 3.964 1.00 2.11 C ATOM 0 H THR A 67 20.165 -0.856 3.898 1.00 0.72 H new ATOM 0 HA THR A 67 20.697 1.313 1.974 1.00 0.71 H new ATOM 0 HB THR A 67 22.879 0.336 1.849 1.00 0.77 H new ATOM 0 HG1 THR A 67 23.247 -1.803 2.686 1.00 1.45 H new ATOM 0 HG21 THR A 67 23.501 0.039 4.229 1.00 2.11 H new ATOM 0 HG22 THR A 67 22.367 1.396 4.029 1.00 2.11 H new ATOM 0 HG23 THR A 67 21.784 -0.165 4.653 1.00 2.11 H new ATOM 1061 N ARG A 68 19.702 -1.652 1.050 1.00 0.78 N ATOM 1062 CA ARG A 68 19.271 -2.432 -0.146 1.00 0.81 C ATOM 1063 C ARG A 68 18.408 -1.551 -1.054 1.00 0.81 C ATOM 1064 O ARG A 68 18.479 -1.636 -2.264 1.00 0.91 O ATOM 1065 CB ARG A 68 18.458 -3.649 0.302 1.00 0.86 C ATOM 1066 CG ARG A 68 19.290 -4.493 1.270 1.00 1.40 C ATOM 1067 CD ARG A 68 19.205 -5.968 0.869 1.00 1.22 C ATOM 1068 NE ARG A 68 20.492 -6.659 1.210 1.00 1.75 N ATOM 1069 CZ ARG A 68 21.650 -6.232 0.763 1.00 2.35 C ATOM 1070 NH1 ARG A 68 21.722 -5.317 -0.171 1.00 2.78 N ATOM 1071 NH2 ARG A 68 22.747 -6.774 1.215 1.00 3.33 N ATOM 0 H ARG A 68 19.471 -2.074 1.950 1.00 0.78 H new ATOM 0 HA ARG A 68 20.152 -2.764 -0.695 1.00 0.81 H new ATOM 0 HB2 ARG A 68 17.536 -3.325 0.785 1.00 0.86 H new ATOM 0 HB3 ARG A 68 18.171 -4.246 -0.564 1.00 0.86 H new ATOM 0 HG2 ARG A 68 20.328 -4.162 1.257 1.00 1.40 H new ATOM 0 HG3 ARG A 68 18.926 -4.361 2.289 1.00 1.40 H new ATOM 0 HD2 ARG A 68 18.375 -6.448 1.387 1.00 1.22 H new ATOM 0 HD3 ARG A 68 19.007 -6.054 -0.199 1.00 1.22 H new ATOM 0 HE ARG A 68 20.467 -7.486 1.807 1.00 1.75 H new ATOM 0 HH11 ARG A 68 20.868 -4.922 -0.565 1.00 2.78 H new ATOM 0 HH12 ARG A 68 22.632 -4.999 -0.504 1.00 2.78 H new ATOM 0 HH21 ARG A 68 22.699 -7.521 1.908 1.00 3.33 H new ATOM 0 HH22 ARG A 68 23.653 -6.451 0.875 1.00 3.33 H new ATOM 1085 N CYS A 69 17.590 -0.708 -0.483 1.00 0.76 N ATOM 1086 CA CYS A 69 16.722 0.172 -1.319 1.00 0.75 C ATOM 1087 C CYS A 69 17.446 1.490 -1.625 1.00 0.65 C ATOM 1088 O CYS A 69 17.135 2.166 -2.585 1.00 0.58 O ATOM 1089 CB CYS A 69 15.419 0.467 -0.569 1.00 0.80 C ATOM 1090 SG CYS A 69 14.225 1.217 -1.706 1.00 0.72 S ATOM 0 H CYS A 69 17.485 -0.590 0.525 1.00 0.76 H new ATOM 0 HA CYS A 69 16.498 -0.337 -2.257 1.00 0.75 H new ATOM 0 HB2 CYS A 69 15.011 -0.453 -0.151 1.00 0.80 H new ATOM 0 HB3 CYS A 69 15.612 1.139 0.267 1.00 0.80 H new ATOM 1095 N LEU A 70 18.407 1.865 -0.819 1.00 0.66 N ATOM 1096 CA LEU A 70 19.142 3.139 -1.074 1.00 0.57 C ATOM 1097 C LEU A 70 19.698 3.139 -2.499 1.00 0.48 C ATOM 1098 O LEU A 70 19.184 3.800 -3.379 1.00 0.50 O ATOM 1099 CB LEU A 70 20.305 3.266 -0.087 1.00 0.59 C ATOM 1100 CG LEU A 70 19.877 4.115 1.112 1.00 0.59 C ATOM 1101 CD1 LEU A 70 20.966 4.064 2.185 1.00 1.14 C ATOM 1102 CD2 LEU A 70 19.675 5.564 0.666 1.00 0.73 C ATOM 0 H LEU A 70 18.713 1.344 0.003 1.00 0.66 H new ATOM 0 HA LEU A 70 18.456 3.977 -0.948 1.00 0.57 H new ATOM 0 HB2 LEU A 70 20.618 2.278 0.249 1.00 0.59 H new ATOM 0 HB3 LEU A 70 21.164 3.722 -0.579 1.00 0.59 H new ATOM 0 HG LEU A 70 18.944 3.725 1.518 1.00 0.59 H new ATOM 0 HD11 LEU A 70 20.663 4.668 3.040 1.00 1.14 H new ATOM 0 HD12 LEU A 70 21.114 3.032 2.504 1.00 1.14 H new ATOM 0 HD13 LEU A 70 21.898 4.455 1.777 1.00 1.14 H new ATOM 0 HD21 LEU A 70 19.370 6.168 1.520 1.00 0.73 H new ATOM 0 HD22 LEU A 70 20.609 5.953 0.261 1.00 0.73 H new ATOM 0 HD23 LEU A 70 18.902 5.604 -0.101 1.00 0.73 H new ATOM 1114 N GLY A 71 20.752 2.404 -2.729 1.00 0.45 N ATOM 1115 CA GLY A 71 21.353 2.361 -4.093 1.00 0.46 C ATOM 1116 C GLY A 71 22.753 2.976 -4.048 1.00 0.37 C ATOM 1117 O GLY A 71 23.581 2.599 -3.242 1.00 0.52 O ATOM 0 H GLY A 71 21.224 1.830 -2.030 1.00 0.45 H new ATOM 0 HA2 GLY A 71 21.407 1.331 -4.447 1.00 0.46 H new ATOM 0 HA3 GLY A 71 20.726 2.908 -4.797 1.00 0.46 H new ATOM 1121 N ALA A 72 23.024 3.923 -4.904 1.00 0.34 N ATOM 1122 CA ALA A 72 24.369 4.563 -4.905 1.00 0.31 C ATOM 1123 C ALA A 72 24.325 5.839 -5.746 1.00 0.63 C ATOM 1124 O ALA A 72 24.988 5.951 -6.758 1.00 1.37 O ATOM 1125 CB ALA A 72 25.397 3.598 -5.497 1.00 0.24 C ATOM 0 H ALA A 72 22.372 4.281 -5.602 1.00 0.34 H new ATOM 0 HA ALA A 72 24.653 4.810 -3.882 1.00 0.31 H new ATOM 0 HB1 ALA A 72 26.380 4.069 -5.497 1.00 0.24 H new ATOM 0 HB2 ALA A 72 25.430 2.688 -4.897 1.00 0.24 H new ATOM 0 HB3 ALA A 72 25.115 3.348 -6.520 1.00 0.24 H new ATOM 1131 N THR A 73 23.547 6.802 -5.336 1.00 0.29 N ATOM 1132 CA THR A 73 23.460 8.070 -6.112 1.00 0.47 C ATOM 1133 C THR A 73 22.996 9.199 -5.192 1.00 0.34 C ATOM 1134 O THR A 73 22.331 8.973 -4.201 1.00 0.30 O ATOM 1135 CB THR A 73 22.458 7.902 -7.255 1.00 0.81 C ATOM 1136 OG1 THR A 73 22.451 6.546 -7.680 1.00 1.23 O ATOM 1137 CG2 THR A 73 22.857 8.806 -8.422 1.00 1.32 C ATOM 0 H THR A 73 22.968 6.765 -4.497 1.00 0.29 H new ATOM 0 HA THR A 73 24.441 8.313 -6.521 1.00 0.47 H new ATOM 0 HB THR A 73 21.462 8.179 -6.911 1.00 0.81 H new ATOM 0 HG1 THR A 73 21.584 6.141 -7.468 1.00 1.23 H new ATOM 0 HG21 THR A 73 22.142 8.686 -9.236 1.00 1.32 H new ATOM 0 HG22 THR A 73 22.860 9.845 -8.093 1.00 1.32 H new ATOM 0 HG23 THR A 73 23.853 8.532 -8.770 1.00 1.32 H new ATOM 1145 N ALA A 74 23.342 10.415 -5.513 1.00 0.44 N ATOM 1146 CA ALA A 74 22.921 11.559 -4.659 1.00 0.49 C ATOM 1147 C ALA A 74 21.458 11.906 -4.949 1.00 0.42 C ATOM 1148 O ALA A 74 20.747 12.398 -4.096 1.00 0.59 O ATOM 1149 CB ALA A 74 23.803 12.771 -4.963 1.00 0.70 C ATOM 0 H ALA A 74 23.898 10.665 -6.330 1.00 0.44 H new ATOM 0 HA ALA A 74 23.026 11.286 -3.609 1.00 0.49 H new ATOM 0 HB1 ALA A 74 23.496 13.610 -4.339 1.00 0.70 H new ATOM 0 HB2 ALA A 74 24.844 12.525 -4.754 1.00 0.70 H new ATOM 0 HB3 ALA A 74 23.698 13.043 -6.013 1.00 0.70 H new ATOM 1155 N GLN A 75 21.003 11.656 -6.148 1.00 0.34 N ATOM 1156 CA GLN A 75 19.587 11.976 -6.488 1.00 0.42 C ATOM 1157 C GLN A 75 18.668 10.864 -5.977 1.00 0.35 C ATOM 1158 O GLN A 75 17.528 11.100 -5.631 1.00 0.33 O ATOM 1159 CB GLN A 75 19.442 12.096 -8.007 1.00 0.65 C ATOM 1160 CG GLN A 75 20.310 13.249 -8.513 1.00 0.72 C ATOM 1161 CD GLN A 75 19.490 14.134 -9.454 1.00 1.61 C ATOM 1162 OE1 GLN A 75 18.531 14.755 -9.041 1.00 2.76 O ATOM 1163 NE2 GLN A 75 19.830 14.220 -10.711 1.00 1.44 N ATOM 0 H GLN A 75 21.550 11.245 -6.905 1.00 0.34 H new ATOM 0 HA GLN A 75 19.309 12.919 -6.017 1.00 0.42 H new ATOM 0 HB2 GLN A 75 19.741 11.164 -8.486 1.00 0.65 H new ATOM 0 HB3 GLN A 75 18.399 12.269 -8.271 1.00 0.65 H new ATOM 0 HG2 GLN A 75 20.677 13.837 -7.672 1.00 0.72 H new ATOM 0 HG3 GLN A 75 21.184 12.858 -9.034 1.00 0.72 H new ATOM 0 HE21 GLN A 75 20.635 13.699 -11.058 1.00 1.44 H new ATOM 0 HE22 GLN A 75 19.291 14.808 -11.346 1.00 1.44 H new ATOM 1172 N GLN A 76 19.151 9.653 -5.927 1.00 0.33 N ATOM 1173 CA GLN A 76 18.299 8.530 -5.439 1.00 0.28 C ATOM 1174 C GLN A 76 17.916 8.766 -3.974 1.00 0.31 C ATOM 1175 O GLN A 76 16.914 8.269 -3.499 1.00 0.25 O ATOM 1176 CB GLN A 76 19.071 7.214 -5.556 1.00 0.32 C ATOM 1177 CG GLN A 76 18.089 6.068 -5.808 1.00 1.03 C ATOM 1178 CD GLN A 76 18.775 4.976 -6.632 1.00 0.85 C ATOM 1179 OE1 GLN A 76 19.894 5.145 -7.073 1.00 1.33 O ATOM 1180 NE2 GLN A 76 18.146 3.856 -6.861 1.00 1.32 N ATOM 0 H GLN A 76 20.098 9.392 -6.203 1.00 0.33 H new ATOM 0 HA GLN A 76 17.394 8.479 -6.044 1.00 0.28 H new ATOM 0 HB2 GLN A 76 19.793 7.274 -6.371 1.00 0.32 H new ATOM 0 HB3 GLN A 76 19.636 7.029 -4.642 1.00 0.32 H new ATOM 0 HG2 GLN A 76 17.742 5.658 -4.860 1.00 1.03 H new ATOM 0 HG3 GLN A 76 17.210 6.438 -6.336 1.00 1.03 H new ATOM 0 HE21 GLN A 76 17.206 3.714 -6.491 1.00 1.32 H new ATOM 0 HE22 GLN A 76 18.594 3.123 -7.410 1.00 1.32 H new ATOM 1189 N PHE A 77 18.704 9.516 -3.250 1.00 0.43 N ATOM 1190 CA PHE A 77 18.380 9.772 -1.817 1.00 0.46 C ATOM 1191 C PHE A 77 17.201 10.744 -1.716 1.00 0.47 C ATOM 1192 O PHE A 77 16.211 10.467 -1.067 1.00 0.47 O ATOM 1193 CB PHE A 77 19.602 10.378 -1.122 1.00 0.46 C ATOM 1194 CG PHE A 77 19.295 10.602 0.340 1.00 1.32 C ATOM 1195 CD1 PHE A 77 19.182 9.509 1.208 1.00 2.01 C ATOM 1196 CD2 PHE A 77 19.123 11.903 0.828 1.00 1.97 C ATOM 1197 CE1 PHE A 77 18.898 9.717 2.562 1.00 2.73 C ATOM 1198 CE2 PHE A 77 18.839 12.111 2.183 1.00 2.69 C ATOM 1199 CZ PHE A 77 18.726 11.018 3.050 1.00 2.92 C ATOM 0 H PHE A 77 19.557 9.962 -3.589 1.00 0.43 H new ATOM 0 HA PHE A 77 18.111 8.832 -1.335 1.00 0.46 H new ATOM 0 HB2 PHE A 77 20.459 9.713 -1.226 1.00 0.46 H new ATOM 0 HB3 PHE A 77 19.872 11.322 -1.596 1.00 0.46 H new ATOM 0 HD1 PHE A 77 19.314 8.505 0.832 1.00 2.01 H new ATOM 0 HD2 PHE A 77 19.209 12.746 0.159 1.00 1.97 H new ATOM 0 HE1 PHE A 77 18.811 8.874 3.231 1.00 2.73 H new ATOM 0 HE2 PHE A 77 18.707 13.115 2.559 1.00 2.69 H new ATOM 0 HZ PHE A 77 18.506 11.178 4.095 1.00 2.92 H new ATOM 1209 N HIS A 78 17.300 11.882 -2.347 1.00 0.53 N ATOM 1210 CA HIS A 78 16.187 12.872 -2.280 1.00 0.55 C ATOM 1211 C HIS A 78 14.892 12.235 -2.789 1.00 0.56 C ATOM 1212 O HIS A 78 13.816 12.529 -2.310 1.00 0.66 O ATOM 1213 CB HIS A 78 16.529 14.085 -3.146 1.00 0.53 C ATOM 1214 CG HIS A 78 15.971 15.329 -2.510 1.00 1.06 C ATOM 1215 ND1 HIS A 78 15.081 16.162 -3.169 1.00 1.49 N ATOM 1216 CD2 HIS A 78 16.168 15.893 -1.274 1.00 1.71 C ATOM 1217 CE1 HIS A 78 14.778 17.173 -2.334 1.00 1.89 C ATOM 1218 NE2 HIS A 78 15.413 17.057 -1.165 1.00 2.11 N ATOM 0 H HIS A 78 18.103 12.169 -2.906 1.00 0.53 H new ATOM 0 HA HIS A 78 16.051 13.187 -1.245 1.00 0.55 H new ATOM 0 HB2 HIS A 78 17.610 14.173 -3.256 1.00 0.53 H new ATOM 0 HB3 HIS A 78 16.116 13.959 -4.147 1.00 0.53 H new ATOM 0 HD2 HIS A 78 16.811 15.494 -0.503 1.00 1.71 H new ATOM 0 HE1 HIS A 78 14.103 17.980 -2.579 1.00 1.89 H new ATOM 0 HE2 HIS A 78 15.357 17.686 -0.364 1.00 2.11 H new ATOM 1226 N ARG A 79 14.986 11.369 -3.759 1.00 0.47 N ATOM 1227 CA ARG A 79 13.759 10.719 -4.305 1.00 0.47 C ATOM 1228 C ARG A 79 13.270 9.638 -3.338 1.00 0.42 C ATOM 1229 O ARG A 79 12.094 9.336 -3.272 1.00 0.43 O ATOM 1230 CB ARG A 79 14.081 10.082 -5.657 1.00 0.49 C ATOM 1231 CG ARG A 79 13.052 10.536 -6.694 1.00 0.86 C ATOM 1232 CD ARG A 79 12.635 9.343 -7.556 1.00 1.33 C ATOM 1233 NE ARG A 79 13.800 8.886 -8.368 1.00 1.72 N ATOM 1234 CZ ARG A 79 13.792 7.715 -8.962 1.00 3.32 C ATOM 1235 NH1 ARG A 79 12.758 6.912 -8.869 1.00 4.28 N ATOM 1236 NH2 ARG A 79 14.830 7.344 -9.662 1.00 4.18 N ATOM 0 H ARG A 79 15.860 11.082 -4.199 1.00 0.47 H new ATOM 0 HA ARG A 79 12.979 11.470 -4.429 1.00 0.47 H new ATOM 0 HB2 ARG A 79 15.084 10.367 -5.975 1.00 0.49 H new ATOM 0 HB3 ARG A 79 14.071 8.995 -5.571 1.00 0.49 H new ATOM 0 HG2 ARG A 79 12.180 10.960 -6.195 1.00 0.86 H new ATOM 0 HG3 ARG A 79 13.474 11.321 -7.321 1.00 0.86 H new ATOM 0 HD2 ARG A 79 12.278 8.531 -6.923 1.00 1.33 H new ATOM 0 HD3 ARG A 79 11.810 9.624 -8.210 1.00 1.33 H new ATOM 0 HE ARG A 79 14.615 9.492 -8.463 1.00 1.72 H new ATOM 0 HH11 ARG A 79 11.941 7.194 -8.328 1.00 4.28 H new ATOM 0 HH12 ARG A 79 12.772 6.006 -9.338 1.00 4.28 H new ATOM 0 HH21 ARG A 79 15.637 7.962 -9.744 1.00 4.18 H new ATOM 0 HH22 ARG A 79 14.833 6.436 -10.127 1.00 4.18 H new ATOM 1250 N HIS A 80 14.163 9.048 -2.591 1.00 0.36 N ATOM 1251 CA HIS A 80 13.753 7.983 -1.632 1.00 0.31 C ATOM 1252 C HIS A 80 12.836 8.575 -0.557 1.00 0.32 C ATOM 1253 O HIS A 80 11.747 8.091 -0.321 1.00 0.49 O ATOM 1254 CB HIS A 80 15.002 7.398 -0.968 1.00 0.55 C ATOM 1255 CG HIS A 80 14.733 5.985 -0.529 1.00 0.17 C ATOM 1256 ND1 HIS A 80 13.540 5.609 0.068 1.00 0.72 N ATOM 1257 CD2 HIS A 80 15.499 4.847 -0.584 1.00 0.93 C ATOM 1258 CE1 HIS A 80 13.622 4.295 0.347 1.00 0.16 C ATOM 1259 NE2 HIS A 80 14.796 3.781 -0.031 1.00 0.92 N ATOM 0 H HIS A 80 15.161 9.258 -2.604 1.00 0.36 H new ATOM 0 HA HIS A 80 13.217 7.200 -2.168 1.00 0.31 H new ATOM 0 HB2 HIS A 80 15.839 7.418 -1.666 1.00 0.55 H new ATOM 0 HB3 HIS A 80 15.288 8.007 -0.110 1.00 0.55 H new ATOM 0 HD1 HIS A 80 12.744 6.218 0.261 1.00 0.72 H new ATOM 0 HD2 HIS A 80 16.496 4.788 -0.994 1.00 0.93 H new ATOM 0 HE1 HIS A 80 12.835 3.725 0.819 1.00 0.16 H new ATOM 1267 N LYS A 81 13.272 9.612 0.102 1.00 0.46 N ATOM 1268 CA LYS A 81 12.433 10.229 1.169 1.00 0.58 C ATOM 1269 C LYS A 81 11.044 10.578 0.620 1.00 0.46 C ATOM 1270 O LYS A 81 10.083 10.665 1.359 1.00 0.60 O ATOM 1271 CB LYS A 81 13.113 11.503 1.672 1.00 0.77 C ATOM 1272 CG LYS A 81 13.512 11.323 3.138 1.00 0.96 C ATOM 1273 CD LYS A 81 14.775 12.136 3.428 1.00 0.82 C ATOM 1274 CE LYS A 81 14.926 12.323 4.939 1.00 1.44 C ATOM 1275 NZ LYS A 81 15.820 13.484 5.209 1.00 1.27 N ATOM 0 H LYS A 81 14.175 10.060 -0.052 1.00 0.46 H new ATOM 0 HA LYS A 81 12.321 9.518 1.988 1.00 0.58 H new ATOM 0 HB2 LYS A 81 13.994 11.720 1.068 1.00 0.77 H new ATOM 0 HB3 LYS A 81 12.438 12.353 1.569 1.00 0.77 H new ATOM 0 HG2 LYS A 81 12.700 11.648 3.789 1.00 0.96 H new ATOM 0 HG3 LYS A 81 13.689 10.269 3.351 1.00 0.96 H new ATOM 0 HD2 LYS A 81 15.650 11.625 3.025 1.00 0.82 H new ATOM 0 HD3 LYS A 81 14.717 13.106 2.935 1.00 0.82 H new ATOM 0 HE2 LYS A 81 13.950 12.488 5.395 1.00 1.44 H new ATOM 0 HE3 LYS A 81 15.339 11.420 5.388 1.00 1.44 H new ATOM 0 HZ1 LYS A 81 15.923 13.611 6.236 1.00 1.27 H new ATOM 0 HZ2 LYS A 81 16.754 13.309 4.787 1.00 1.27 H new ATOM 0 HZ3 LYS A 81 15.408 14.344 4.793 1.00 1.27 H new ATOM 1289 N GLN A 82 10.927 10.785 -0.663 1.00 0.26 N ATOM 1290 CA GLN A 82 9.597 11.136 -1.240 1.00 0.31 C ATOM 1291 C GLN A 82 8.667 9.922 -1.178 1.00 0.37 C ATOM 1292 O GLN A 82 7.508 10.032 -0.824 1.00 0.40 O ATOM 1293 CB GLN A 82 9.770 11.568 -2.698 1.00 0.32 C ATOM 1294 CG GLN A 82 10.637 12.826 -2.760 1.00 0.97 C ATOM 1295 CD GLN A 82 10.159 13.720 -3.905 1.00 1.32 C ATOM 1296 OE1 GLN A 82 10.035 14.918 -3.745 1.00 1.81 O ATOM 1297 NE2 GLN A 82 9.884 13.185 -5.063 1.00 1.98 N ATOM 0 H GLN A 82 11.692 10.727 -1.335 1.00 0.26 H new ATOM 0 HA GLN A 82 9.162 11.953 -0.665 1.00 0.31 H new ATOM 0 HB2 GLN A 82 10.233 10.766 -3.273 1.00 0.32 H new ATOM 0 HB3 GLN A 82 8.797 11.762 -3.148 1.00 0.32 H new ATOM 0 HG2 GLN A 82 10.580 13.366 -1.815 1.00 0.97 H new ATOM 0 HG3 GLN A 82 11.682 12.553 -2.909 1.00 0.97 H new ATOM 0 HE21 GLN A 82 9.988 12.179 -5.198 1.00 1.98 H new ATOM 0 HE22 GLN A 82 9.565 13.773 -5.833 1.00 1.98 H new ATOM 1306 N LEU A 83 9.159 8.766 -1.525 1.00 0.42 N ATOM 1307 CA LEU A 83 8.298 7.549 -1.493 1.00 0.51 C ATOM 1308 C LEU A 83 8.045 7.118 -0.045 1.00 0.35 C ATOM 1309 O LEU A 83 7.078 6.442 0.244 1.00 0.31 O ATOM 1310 CB LEU A 83 8.992 6.412 -2.246 1.00 0.73 C ATOM 1311 CG LEU A 83 8.095 5.173 -2.232 1.00 0.93 C ATOM 1312 CD1 LEU A 83 8.092 4.528 -3.619 1.00 0.98 C ATOM 1313 CD2 LEU A 83 8.626 4.171 -1.205 1.00 0.84 C ATOM 0 H LEU A 83 10.120 8.610 -1.830 1.00 0.42 H new ATOM 0 HA LEU A 83 7.344 7.778 -1.969 1.00 0.51 H new ATOM 0 HB2 LEU A 83 9.199 6.714 -3.273 1.00 0.73 H new ATOM 0 HB3 LEU A 83 9.952 6.185 -1.781 1.00 0.73 H new ATOM 0 HG LEU A 83 7.079 5.464 -1.965 1.00 0.93 H new ATOM 0 HD11 LEU A 83 7.453 3.645 -3.608 1.00 0.98 H new ATOM 0 HD12 LEU A 83 7.714 5.241 -4.351 1.00 0.98 H new ATOM 0 HD13 LEU A 83 9.108 4.237 -3.887 1.00 0.98 H new ATOM 0 HD21 LEU A 83 7.987 3.288 -1.194 1.00 0.84 H new ATOM 0 HD22 LEU A 83 9.642 3.881 -1.472 1.00 0.84 H new ATOM 0 HD23 LEU A 83 8.627 4.630 -0.216 1.00 0.84 H new ATOM 1325 N ILE A 84 8.900 7.493 0.870 1.00 0.44 N ATOM 1326 CA ILE A 84 8.686 7.089 2.290 1.00 0.32 C ATOM 1327 C ILE A 84 7.573 7.944 2.903 1.00 0.25 C ATOM 1328 O ILE A 84 6.845 7.499 3.765 1.00 0.16 O ATOM 1329 CB ILE A 84 9.975 7.294 3.091 1.00 0.33 C ATOM 1330 CG1 ILE A 84 11.104 6.414 2.532 1.00 0.31 C ATOM 1331 CG2 ILE A 84 9.729 6.921 4.553 1.00 0.33 C ATOM 1332 CD1 ILE A 84 10.598 4.987 2.303 1.00 0.31 C ATOM 0 H ILE A 84 9.732 8.058 0.697 1.00 0.44 H new ATOM 0 HA ILE A 84 8.404 6.037 2.321 1.00 0.32 H new ATOM 0 HB ILE A 84 10.270 8.341 3.014 1.00 0.33 H new ATOM 0 HG12 ILE A 84 11.471 6.832 1.595 1.00 0.31 H new ATOM 0 HG13 ILE A 84 11.944 6.403 3.227 1.00 0.31 H new ATOM 0 HG21 ILE A 84 10.646 7.066 5.125 1.00 0.33 H new ATOM 0 HG22 ILE A 84 8.942 7.554 4.962 1.00 0.33 H new ATOM 0 HG23 ILE A 84 9.424 5.876 4.616 1.00 0.33 H new ATOM 0 HD11 ILE A 84 11.407 4.373 1.907 1.00 0.31 H new ATOM 0 HD12 ILE A 84 10.253 4.567 3.248 1.00 0.31 H new ATOM 0 HD13 ILE A 84 9.773 5.003 1.591 1.00 0.31 H new ATOM 1344 N ARG A 85 7.440 9.168 2.473 1.00 0.39 N ATOM 1345 CA ARG A 85 6.373 10.044 3.040 1.00 0.35 C ATOM 1346 C ARG A 85 5.024 9.689 2.406 1.00 0.39 C ATOM 1347 O ARG A 85 3.991 9.734 3.045 1.00 0.49 O ATOM 1348 CB ARG A 85 6.704 11.511 2.747 1.00 0.38 C ATOM 1349 CG ARG A 85 7.521 12.093 3.903 1.00 0.54 C ATOM 1350 CD ARG A 85 8.709 12.881 3.347 1.00 0.95 C ATOM 1351 NE ARG A 85 8.220 13.891 2.361 1.00 1.59 N ATOM 1352 CZ ARG A 85 8.992 14.875 1.959 1.00 2.08 C ATOM 1353 NH1 ARG A 85 10.217 15.008 2.409 1.00 1.73 N ATOM 1354 NH2 ARG A 85 8.529 15.738 1.097 1.00 3.38 N ATOM 0 H ARG A 85 8.022 9.600 1.755 1.00 0.39 H new ATOM 0 HA ARG A 85 6.318 9.892 4.118 1.00 0.35 H new ATOM 0 HB2 ARG A 85 7.266 11.589 1.816 1.00 0.38 H new ATOM 0 HB3 ARG A 85 5.785 12.082 2.614 1.00 0.38 H new ATOM 0 HG2 ARG A 85 6.894 12.743 4.513 1.00 0.54 H new ATOM 0 HG3 ARG A 85 7.875 11.291 4.551 1.00 0.54 H new ATOM 0 HD2 ARG A 85 9.241 13.377 4.158 1.00 0.95 H new ATOM 0 HD3 ARG A 85 9.417 12.204 2.869 1.00 0.95 H new ATOM 0 HE ARG A 85 7.271 13.815 1.994 1.00 1.59 H new ATOM 0 HH11 ARG A 85 10.587 14.340 3.085 1.00 1.73 H new ATOM 0 HH12 ARG A 85 10.799 15.780 2.083 1.00 1.73 H new ATOM 0 HH21 ARG A 85 7.577 15.644 0.743 1.00 3.38 H new ATOM 0 HH22 ARG A 85 9.119 16.506 0.777 1.00 3.38 H new ATOM 1368 N PHE A 86 5.025 9.333 1.153 1.00 0.34 N ATOM 1369 CA PHE A 86 3.745 8.971 0.477 1.00 0.39 C ATOM 1370 C PHE A 86 3.260 7.620 1.006 1.00 0.44 C ATOM 1371 O PHE A 86 2.076 7.374 1.138 1.00 0.51 O ATOM 1372 CB PHE A 86 3.989 8.865 -1.033 1.00 0.53 C ATOM 1373 CG PHE A 86 3.048 9.778 -1.787 1.00 0.66 C ATOM 1374 CD1 PHE A 86 2.836 11.091 -1.351 1.00 1.55 C ATOM 1375 CD2 PHE A 86 2.392 9.308 -2.931 1.00 0.97 C ATOM 1376 CE1 PHE A 86 1.969 11.932 -2.057 1.00 1.72 C ATOM 1377 CE2 PHE A 86 1.526 10.150 -3.638 1.00 0.94 C ATOM 1378 CZ PHE A 86 1.314 11.462 -3.201 1.00 0.96 C ATOM 0 H PHE A 86 5.857 9.276 0.565 1.00 0.34 H new ATOM 0 HA PHE A 86 2.993 9.734 0.677 1.00 0.39 H new ATOM 0 HB2 PHE A 86 5.022 9.130 -1.260 1.00 0.53 H new ATOM 0 HB3 PHE A 86 3.845 7.835 -1.359 1.00 0.53 H new ATOM 0 HD1 PHE A 86 3.342 11.455 -0.469 1.00 1.55 H new ATOM 0 HD2 PHE A 86 2.554 8.295 -3.268 1.00 0.97 H new ATOM 0 HE1 PHE A 86 1.805 12.945 -1.719 1.00 1.72 H new ATOM 0 HE2 PHE A 86 1.021 9.787 -4.521 1.00 0.94 H new ATOM 0 HZ PHE A 86 0.645 12.112 -3.746 1.00 0.96 H new ATOM 1388 N LEU A 87 4.173 6.741 1.300 1.00 0.46 N ATOM 1389 CA LEU A 87 3.791 5.396 1.807 1.00 0.59 C ATOM 1390 C LEU A 87 3.263 5.511 3.243 1.00 0.57 C ATOM 1391 O LEU A 87 2.213 4.989 3.566 1.00 0.68 O ATOM 1392 CB LEU A 87 5.030 4.486 1.732 1.00 0.80 C ATOM 1393 CG LEU A 87 5.165 3.596 2.972 1.00 0.62 C ATOM 1394 CD1 LEU A 87 3.977 2.633 3.057 1.00 1.38 C ATOM 1395 CD2 LEU A 87 6.459 2.791 2.847 1.00 1.63 C ATOM 0 H LEU A 87 5.177 6.898 1.210 1.00 0.46 H new ATOM 0 HA LEU A 87 2.994 4.965 1.201 1.00 0.59 H new ATOM 0 HB2 LEU A 87 4.967 3.860 0.842 1.00 0.80 H new ATOM 0 HB3 LEU A 87 5.925 5.100 1.627 1.00 0.80 H new ATOM 0 HG LEU A 87 5.184 4.213 3.870 1.00 0.62 H new ATOM 0 HD11 LEU A 87 4.081 2.004 3.941 1.00 1.38 H new ATOM 0 HD12 LEU A 87 3.050 3.203 3.124 1.00 1.38 H new ATOM 0 HD13 LEU A 87 3.953 2.005 2.166 1.00 1.38 H new ATOM 0 HD21 LEU A 87 6.575 2.150 3.721 1.00 1.63 H new ATOM 0 HD22 LEU A 87 6.419 2.176 1.948 1.00 1.63 H new ATOM 0 HD23 LEU A 87 7.307 3.473 2.783 1.00 1.63 H new ATOM 1407 N LYS A 88 3.974 6.180 4.110 1.00 0.57 N ATOM 1408 CA LYS A 88 3.492 6.306 5.515 1.00 0.75 C ATOM 1409 C LYS A 88 2.136 7.021 5.530 1.00 0.54 C ATOM 1410 O LYS A 88 1.322 6.803 6.406 1.00 0.46 O ATOM 1411 CB LYS A 88 4.515 7.081 6.357 1.00 1.00 C ATOM 1412 CG LYS A 88 4.662 8.508 5.833 1.00 1.66 C ATOM 1413 CD LYS A 88 4.233 9.497 6.920 1.00 2.32 C ATOM 1414 CE LYS A 88 5.220 9.436 8.089 1.00 1.60 C ATOM 1415 NZ LYS A 88 4.471 9.509 9.376 1.00 2.46 N ATOM 0 H LYS A 88 4.861 6.641 3.908 1.00 0.57 H new ATOM 0 HA LYS A 88 3.374 5.312 5.946 1.00 0.75 H new ATOM 0 HB2 LYS A 88 4.198 7.100 7.400 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.480 6.574 6.327 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.696 8.696 5.543 1.00 1.66 H new ATOM 0 HG3 LYS A 88 4.051 8.644 4.941 1.00 1.66 H new ATOM 0 HD2 LYS A 88 4.198 10.508 6.513 1.00 2.32 H new ATOM 0 HD3 LYS A 88 3.228 9.258 7.267 1.00 2.32 H new ATOM 0 HE2 LYS A 88 5.797 8.513 8.044 1.00 1.60 H new ATOM 0 HE3 LYS A 88 5.931 10.260 8.022 1.00 1.60 H new ATOM 0 HZ1 LYS A 88 5.141 9.468 10.170 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 3.939 10.402 9.418 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 3.810 8.709 9.439 1.00 2.46 H new ATOM 1429 N ARG A 89 1.875 7.859 4.561 1.00 0.47 N ATOM 1430 CA ARG A 89 0.563 8.564 4.523 1.00 0.32 C ATOM 1431 C ARG A 89 -0.543 7.539 4.266 1.00 0.17 C ATOM 1432 O ARG A 89 -1.536 7.485 4.965 1.00 0.19 O ATOM 1433 CB ARG A 89 0.574 9.601 3.398 1.00 0.31 C ATOM 1434 CG ARG A 89 -0.848 9.805 2.872 1.00 0.99 C ATOM 1435 CD ARG A 89 -0.890 11.061 1.999 1.00 0.99 C ATOM 1436 NE ARG A 89 -1.870 10.866 0.891 1.00 1.87 N ATOM 1437 CZ ARG A 89 -2.302 11.885 0.184 1.00 2.03 C ATOM 1438 NH1 ARG A 89 -1.884 13.105 0.425 1.00 1.46 N ATOM 1439 NH2 ARG A 89 -3.163 11.681 -0.775 1.00 2.87 N ATOM 0 H ARG A 89 2.512 8.084 3.797 1.00 0.47 H new ATOM 0 HA ARG A 89 0.385 9.068 5.473 1.00 0.32 H new ATOM 0 HB2 ARG A 89 0.976 10.546 3.765 1.00 0.31 H new ATOM 0 HB3 ARG A 89 1.227 9.269 2.591 1.00 0.31 H new ATOM 0 HG2 ARG A 89 -1.162 8.936 2.294 1.00 0.99 H new ATOM 0 HG3 ARG A 89 -1.545 9.903 3.704 1.00 0.99 H new ATOM 0 HD2 ARG A 89 -1.172 11.925 2.600 1.00 0.99 H new ATOM 0 HD3 ARG A 89 0.100 11.266 1.591 1.00 0.99 H new ATOM 0 HE ARG A 89 -2.209 9.928 0.680 1.00 1.87 H new ATOM 0 HH11 ARG A 89 -1.211 13.275 1.173 1.00 1.46 H new ATOM 0 HH12 ARG A 89 -2.231 13.883 -0.135 1.00 1.46 H new ATOM 0 HH21 ARG A 89 -3.495 10.736 -0.970 1.00 2.87 H new ATOM 0 HH22 ARG A 89 -3.504 12.466 -1.330 1.00 2.87 H new ATOM 1453 N LEU A 90 -0.370 6.720 3.267 1.00 0.21 N ATOM 1454 CA LEU A 90 -1.397 5.686 2.955 1.00 0.27 C ATOM 1455 C LEU A 90 -1.501 4.684 4.114 1.00 0.31 C ATOM 1456 O LEU A 90 -2.477 3.977 4.244 1.00 0.46 O ATOM 1457 CB LEU A 90 -0.990 4.946 1.677 1.00 0.40 C ATOM 1458 CG LEU A 90 -2.107 3.992 1.250 1.00 0.74 C ATOM 1459 CD1 LEU A 90 -3.294 4.797 0.720 1.00 1.17 C ATOM 1460 CD2 LEU A 90 -1.586 3.066 0.148 1.00 0.78 C ATOM 0 H LEU A 90 0.442 6.722 2.650 1.00 0.21 H new ATOM 0 HA LEU A 90 -2.364 6.168 2.813 1.00 0.27 H new ATOM 0 HB2 LEU A 90 -0.787 5.662 0.881 1.00 0.40 H new ATOM 0 HB3 LEU A 90 -0.069 4.389 1.847 1.00 0.40 H new ATOM 0 HG LEU A 90 -2.427 3.399 2.107 1.00 0.74 H new ATOM 0 HD11 LEU A 90 -4.089 4.116 0.416 1.00 1.17 H new ATOM 0 HD12 LEU A 90 -3.663 5.459 1.503 1.00 1.17 H new ATOM 0 HD13 LEU A 90 -2.977 5.390 -0.138 1.00 1.17 H new ATOM 0 HD21 LEU A 90 -2.379 2.384 -0.159 1.00 0.78 H new ATOM 0 HD22 LEU A 90 -1.268 3.662 -0.708 1.00 0.78 H new ATOM 0 HD23 LEU A 90 -0.740 2.492 0.525 1.00 0.78 H new ATOM 1472 N ASP A 91 -0.502 4.606 4.953 1.00 0.30 N ATOM 1473 CA ASP A 91 -0.558 3.638 6.086 1.00 0.31 C ATOM 1474 C ASP A 91 -1.783 3.914 6.967 1.00 0.29 C ATOM 1475 O ASP A 91 -2.497 3.008 7.347 1.00 0.26 O ATOM 1476 CB ASP A 91 0.710 3.772 6.931 1.00 0.32 C ATOM 1477 CG ASP A 91 0.800 2.596 7.904 1.00 0.54 C ATOM 1478 OD1 ASP A 91 -0.212 2.266 8.500 1.00 1.33 O ATOM 1479 OD2 ASP A 91 1.880 2.044 8.038 1.00 0.60 O ATOM 0 H ASP A 91 0.347 5.169 4.903 1.00 0.30 H new ATOM 0 HA ASP A 91 -0.633 2.628 5.682 1.00 0.31 H new ATOM 0 HB2 ASP A 91 1.589 3.793 6.287 1.00 0.32 H new ATOM 0 HB3 ASP A 91 0.696 4.713 7.481 1.00 0.32 H new ATOM 1484 N ARG A 92 -2.023 5.152 7.311 1.00 0.33 N ATOM 1485 CA ARG A 92 -3.191 5.469 8.186 1.00 0.32 C ATOM 1486 C ARG A 92 -4.440 5.743 7.340 1.00 0.33 C ATOM 1487 O ARG A 92 -5.553 5.594 7.803 1.00 0.34 O ATOM 1488 CB ARG A 92 -2.872 6.708 9.027 1.00 0.33 C ATOM 1489 CG ARG A 92 -1.822 6.354 10.083 1.00 0.99 C ATOM 1490 CD ARG A 92 -2.512 6.068 11.418 1.00 0.34 C ATOM 1491 NE ARG A 92 -1.483 5.948 12.492 1.00 1.45 N ATOM 1492 CZ ARG A 92 -1.821 5.981 13.760 1.00 1.53 C ATOM 1493 NH1 ARG A 92 -3.072 6.122 14.128 1.00 1.00 N ATOM 1494 NH2 ARG A 92 -0.893 5.873 14.671 1.00 2.53 N ATOM 0 H ARG A 92 -1.463 5.955 7.025 1.00 0.33 H new ATOM 0 HA ARG A 92 -3.385 4.614 8.834 1.00 0.32 H new ATOM 0 HB2 ARG A 92 -2.503 7.510 8.387 1.00 0.33 H new ATOM 0 HB3 ARG A 92 -3.778 7.076 9.509 1.00 0.33 H new ATOM 0 HG2 ARG A 92 -1.250 5.483 9.764 1.00 0.99 H new ATOM 0 HG3 ARG A 92 -1.115 7.175 10.197 1.00 0.99 H new ATOM 0 HD2 ARG A 92 -3.212 6.869 11.657 1.00 0.34 H new ATOM 0 HD3 ARG A 92 -3.092 5.148 11.350 1.00 0.34 H new ATOM 0 HE ARG A 92 -0.502 5.839 12.237 1.00 1.45 H new ATOM 0 HH11 ARG A 92 -3.804 6.209 13.423 1.00 1.00 H new ATOM 0 HH12 ARG A 92 -3.313 6.145 15.119 1.00 1.00 H new ATOM 0 HH21 ARG A 92 0.083 5.764 14.395 1.00 2.53 H new ATOM 0 HH22 ARG A 92 -1.143 5.897 15.659 1.00 2.53 H new ATOM 1508 N ASN A 93 -4.273 6.150 6.113 1.00 0.32 N ATOM 1509 CA ASN A 93 -5.463 6.438 5.257 1.00 0.33 C ATOM 1510 C ASN A 93 -6.044 5.138 4.680 1.00 0.34 C ATOM 1511 O ASN A 93 -7.129 5.132 4.134 1.00 0.70 O ATOM 1512 CB ASN A 93 -5.043 7.361 4.113 1.00 0.31 C ATOM 1513 CG ASN A 93 -5.846 8.662 4.180 1.00 1.01 C ATOM 1514 OD1 ASN A 93 -7.121 8.617 4.460 1.00 1.10 O flip ATOM 1515 ND2 ASN A 93 -5.308 9.731 3.977 1.00 2.18 N flip ATOM 0 H ASN A 93 -3.368 6.296 5.665 1.00 0.32 H new ATOM 0 HA ASN A 93 -6.229 6.919 5.866 1.00 0.33 H new ATOM 0 HB2 ASN A 93 -3.977 7.577 4.179 1.00 0.31 H new ATOM 0 HB3 ASN A 93 -5.210 6.868 3.155 1.00 0.31 H new ATOM 0 HD21 ASN A 93 -4.312 9.767 3.758 1.00 2.18 H new ATOM 0 HD22 ASN A 93 -5.852 10.593 4.025 1.00 2.18 H new ATOM 1522 N LEU A 94 -5.343 4.040 4.787 1.00 0.41 N ATOM 1523 CA LEU A 94 -5.879 2.763 4.235 1.00 0.42 C ATOM 1524 C LEU A 94 -6.677 2.023 5.313 1.00 0.44 C ATOM 1525 O LEU A 94 -7.837 1.712 5.136 1.00 0.46 O ATOM 1526 CB LEU A 94 -4.719 1.881 3.767 1.00 0.43 C ATOM 1527 CG LEU A 94 -5.206 0.939 2.665 1.00 0.61 C ATOM 1528 CD1 LEU A 94 -5.502 1.744 1.398 1.00 0.94 C ATOM 1529 CD2 LEU A 94 -4.122 -0.099 2.369 1.00 0.44 C ATOM 0 H LEU A 94 -4.427 3.973 5.231 1.00 0.41 H new ATOM 0 HA LEU A 94 -6.533 2.986 3.392 1.00 0.42 H new ATOM 0 HB2 LEU A 94 -3.903 2.501 3.395 1.00 0.43 H new ATOM 0 HB3 LEU A 94 -4.325 1.305 4.605 1.00 0.43 H new ATOM 0 HG LEU A 94 -6.114 0.434 2.993 1.00 0.61 H new ATOM 0 HD11 LEU A 94 -5.849 1.072 0.613 1.00 0.94 H new ATOM 0 HD12 LEU A 94 -6.274 2.484 1.609 1.00 0.94 H new ATOM 0 HD13 LEU A 94 -4.595 2.250 1.068 1.00 0.94 H new ATOM 0 HD21 LEU A 94 -4.467 -0.772 1.584 1.00 0.44 H new ATOM 0 HD22 LEU A 94 -3.214 0.407 2.041 1.00 0.44 H new ATOM 0 HD23 LEU A 94 -3.912 -0.673 3.272 1.00 0.44 H new ATOM 1541 N TRP A 95 -6.060 1.736 6.428 1.00 0.44 N ATOM 1542 CA TRP A 95 -6.782 1.011 7.516 1.00 0.47 C ATOM 1543 C TRP A 95 -7.523 2.007 8.402 1.00 0.39 C ATOM 1544 O TRP A 95 -8.501 1.668 9.031 1.00 0.42 O ATOM 1545 CB TRP A 95 -5.785 0.227 8.364 1.00 0.54 C ATOM 1546 CG TRP A 95 -5.466 0.999 9.602 1.00 0.38 C ATOM 1547 CD1 TRP A 95 -4.681 2.092 9.637 1.00 0.91 C ATOM 1548 CD2 TRP A 95 -5.904 0.762 10.973 1.00 0.70 C ATOM 1549 NE1 TRP A 95 -4.596 2.544 10.942 1.00 1.21 N ATOM 1550 CE2 TRP A 95 -5.335 1.757 11.803 1.00 0.84 C ATOM 1551 CE3 TRP A 95 -6.728 -0.208 11.573 1.00 1.34 C ATOM 1552 CZ2 TRP A 95 -5.573 1.788 13.178 1.00 1.04 C ATOM 1553 CZ3 TRP A 95 -6.970 -0.177 12.957 1.00 1.57 C ATOM 1554 CH2 TRP A 95 -6.393 0.818 13.757 1.00 1.24 C ATOM 0 H TRP A 95 -5.089 1.971 6.633 1.00 0.44 H new ATOM 0 HA TRP A 95 -7.499 0.323 7.067 1.00 0.47 H new ATOM 0 HB2 TRP A 95 -6.201 -0.746 8.627 1.00 0.54 H new ATOM 0 HB3 TRP A 95 -4.875 0.041 7.794 1.00 0.54 H new ATOM 0 HD1 TRP A 95 -4.196 2.543 8.784 1.00 0.91 H new ATOM 0 HE1 TRP A 95 -4.054 3.358 11.232 1.00 1.21 H new ATOM 0 HE3 TRP A 95 -7.177 -0.981 10.967 1.00 1.34 H new ATOM 0 HZ2 TRP A 95 -5.126 2.557 13.790 1.00 1.04 H new ATOM 0 HZ3 TRP A 95 -7.605 -0.925 13.407 1.00 1.57 H new ATOM 0 HH2 TRP A 95 -6.582 0.834 14.820 1.00 1.24 H new ATOM 1565 N GLY A 96 -7.064 3.231 8.455 1.00 0.35 N ATOM 1566 CA GLY A 96 -7.757 4.253 9.297 1.00 0.32 C ATOM 1567 C GLY A 96 -9.252 4.233 8.969 1.00 0.31 C ATOM 1568 O GLY A 96 -10.090 4.502 9.807 1.00 0.40 O ATOM 0 H GLY A 96 -6.242 3.567 7.953 1.00 0.35 H new ATOM 0 HA2 GLY A 96 -7.600 4.040 10.354 1.00 0.32 H new ATOM 0 HA3 GLY A 96 -7.342 5.243 9.106 1.00 0.32 H new ATOM 1572 N LEU A 97 -9.586 3.890 7.752 1.00 0.28 N ATOM 1573 CA LEU A 97 -11.017 3.820 7.353 1.00 0.26 C ATOM 1574 C LEU A 97 -11.538 2.408 7.621 1.00 0.20 C ATOM 1575 O LEU A 97 -12.690 2.208 7.950 1.00 0.23 O ATOM 1576 CB LEU A 97 -11.139 4.122 5.859 1.00 0.32 C ATOM 1577 CG LEU A 97 -11.732 5.514 5.664 1.00 1.20 C ATOM 1578 CD1 LEU A 97 -10.608 6.550 5.685 1.00 2.10 C ATOM 1579 CD2 LEU A 97 -12.455 5.570 4.317 1.00 1.37 C ATOM 0 H LEU A 97 -8.922 3.654 7.015 1.00 0.28 H new ATOM 0 HA LEU A 97 -11.596 4.546 7.923 1.00 0.26 H new ATOM 0 HB2 LEU A 97 -10.159 4.064 5.385 1.00 0.32 H new ATOM 0 HB3 LEU A 97 -11.771 3.376 5.377 1.00 0.32 H new ATOM 0 HG LEU A 97 -12.439 5.729 6.466 1.00 1.20 H new ATOM 0 HD11 LEU A 97 -11.029 7.546 5.546 1.00 2.10 H new ATOM 0 HD12 LEU A 97 -10.090 6.505 6.643 1.00 2.10 H new ATOM 0 HD13 LEU A 97 -9.903 6.338 4.881 1.00 2.10 H new ATOM 0 HD21 LEU A 97 -12.880 6.563 4.173 1.00 1.37 H new ATOM 0 HD22 LEU A 97 -11.747 5.359 3.515 1.00 1.37 H new ATOM 0 HD23 LEU A 97 -13.253 4.828 4.301 1.00 1.37 H new ATOM 1591 N ALA A 98 -10.691 1.426 7.477 1.00 0.17 N ATOM 1592 CA ALA A 98 -11.118 0.022 7.714 1.00 0.25 C ATOM 1593 C ALA A 98 -11.685 -0.107 9.126 1.00 0.32 C ATOM 1594 O ALA A 98 -12.860 -0.343 9.319 1.00 0.42 O ATOM 1595 CB ALA A 98 -9.907 -0.902 7.563 1.00 0.28 C ATOM 0 H ALA A 98 -9.715 1.539 7.203 1.00 0.17 H new ATOM 0 HA ALA A 98 -11.885 -0.256 6.991 1.00 0.25 H new ATOM 0 HB1 ALA A 98 -10.213 -1.934 7.736 1.00 0.28 H new ATOM 0 HB2 ALA A 98 -9.501 -0.808 6.556 1.00 0.28 H new ATOM 0 HB3 ALA A 98 -9.144 -0.623 8.290 1.00 0.28 H new ATOM 1601 N GLY A 99 -10.852 0.049 10.113 1.00 0.46 N ATOM 1602 CA GLY A 99 -11.327 -0.061 11.520 1.00 0.56 C ATOM 1603 C GLY A 99 -11.030 -1.463 12.055 1.00 0.73 C ATOM 1604 O GLY A 99 -11.901 -2.140 12.566 1.00 0.94 O ATOM 0 H GLY A 99 -9.857 0.249 10.007 1.00 0.46 H new ATOM 0 HA2 GLY A 99 -10.834 0.688 12.140 1.00 0.56 H new ATOM 0 HA3 GLY A 99 -12.397 0.139 11.570 1.00 0.56 H new ATOM 1608 N LEU A 100 -9.807 -1.906 11.944 1.00 0.69 N ATOM 1609 CA LEU A 100 -9.458 -3.264 12.449 1.00 0.88 C ATOM 1610 C LEU A 100 -7.972 -3.309 12.812 1.00 1.14 C ATOM 1611 O LEU A 100 -7.119 -3.460 11.960 1.00 2.14 O ATOM 1612 CB LEU A 100 -9.749 -4.305 11.365 1.00 1.39 C ATOM 1613 CG LEU A 100 -10.892 -5.214 11.821 1.00 1.57 C ATOM 1614 CD1 LEU A 100 -12.205 -4.734 11.202 1.00 1.89 C ATOM 1615 CD2 LEU A 100 -10.611 -6.649 11.370 1.00 2.35 C ATOM 0 H LEU A 100 -9.035 -1.387 11.526 1.00 0.69 H new ATOM 0 HA LEU A 100 -10.055 -3.484 13.334 1.00 0.88 H new ATOM 0 HB2 LEU A 100 -10.016 -3.809 10.432 1.00 1.39 H new ATOM 0 HB3 LEU A 100 -8.856 -4.898 11.167 1.00 1.39 H new ATOM 0 HG LEU A 100 -10.970 -5.182 12.908 1.00 1.57 H new ATOM 0 HD11 LEU A 100 -13.019 -5.382 11.527 1.00 1.89 H new ATOM 0 HD12 LEU A 100 -12.405 -3.711 11.522 1.00 1.89 H new ATOM 0 HD13 LEU A 100 -12.128 -4.766 10.115 1.00 1.89 H new ATOM 0 HD21 LEU A 100 -11.424 -7.298 11.694 1.00 2.35 H new ATOM 0 HD22 LEU A 100 -10.533 -6.680 10.283 1.00 2.35 H new ATOM 0 HD23 LEU A 100 -9.675 -6.992 11.811 1.00 2.35 H new ATOM 1627 N ASN A 101 -7.657 -3.179 14.071 1.00 0.60 N ATOM 1628 CA ASN A 101 -6.228 -3.214 14.490 1.00 1.19 C ATOM 1629 C ASN A 101 -5.636 -4.590 14.177 1.00 1.01 C ATOM 1630 O ASN A 101 -4.720 -4.718 13.387 1.00 1.34 O ATOM 1631 CB ASN A 101 -6.134 -2.948 15.994 1.00 1.57 C ATOM 1632 CG ASN A 101 -4.849 -3.569 16.545 1.00 2.73 C ATOM 1633 OD1 ASN A 101 -3.763 -3.210 16.135 1.00 4.12 O ATOM 1634 ND2 ASN A 101 -4.927 -4.492 17.464 1.00 2.61 N ATOM 0 H ASN A 101 -8.328 -3.050 14.828 1.00 0.60 H new ATOM 0 HA ASN A 101 -5.671 -2.449 13.948 1.00 1.19 H new ATOM 0 HB2 ASN A 101 -6.142 -1.875 16.185 1.00 1.57 H new ATOM 0 HB3 ASN A 101 -7.001 -3.369 16.503 1.00 1.57 H new ATOM 0 HD21 ASN A 101 -4.076 -4.912 17.838 1.00 2.61 H new ATOM 0 HD22 ASN A 101 -5.839 -4.793 17.808 1.00 2.61 H new ATOM 1641 N SER A 102 -6.151 -5.621 14.789 1.00 0.77 N ATOM 1642 CA SER A 102 -5.619 -6.990 14.527 1.00 1.07 C ATOM 1643 C SER A 102 -5.660 -7.276 13.024 1.00 0.81 C ATOM 1644 O SER A 102 -6.684 -7.141 12.385 1.00 0.88 O ATOM 1645 CB SER A 102 -6.478 -8.021 15.260 1.00 1.62 C ATOM 1646 OG SER A 102 -5.767 -8.510 16.389 1.00 1.77 O ATOM 0 H SER A 102 -6.918 -5.575 15.460 1.00 0.77 H new ATOM 0 HA SER A 102 -4.591 -7.051 14.883 1.00 1.07 H new ATOM 0 HB2 SER A 102 -7.418 -7.569 15.576 1.00 1.62 H new ATOM 0 HB3 SER A 102 -6.729 -8.843 14.590 1.00 1.62 H new ATOM 0 HG SER A 102 -6.317 -9.170 16.861 1.00 1.77 H new ATOM 1652 N CYS A 103 -4.556 -7.678 12.457 1.00 0.77 N ATOM 1653 CA CYS A 103 -4.535 -7.980 10.999 1.00 0.78 C ATOM 1654 C CYS A 103 -3.438 -9.010 10.721 1.00 0.81 C ATOM 1655 O CYS A 103 -2.405 -8.685 10.172 1.00 0.78 O ATOM 1656 CB CYS A 103 -4.255 -6.696 10.212 1.00 0.82 C ATOM 1657 SG CYS A 103 -5.791 -6.110 9.450 1.00 0.56 S ATOM 0 H CYS A 103 -3.668 -7.810 12.941 1.00 0.77 H new ATOM 0 HA CYS A 103 -5.500 -8.381 10.690 1.00 0.78 H new ATOM 0 HB2 CYS A 103 -3.850 -5.931 10.875 1.00 0.82 H new ATOM 0 HB3 CYS A 103 -3.504 -6.883 9.445 1.00 0.82 H new ATOM 1662 N PRO A 104 -3.703 -10.224 11.123 1.00 0.90 N ATOM 1663 CA PRO A 104 -2.759 -11.342 10.945 1.00 0.96 C ATOM 1664 C PRO A 104 -2.431 -11.537 9.463 1.00 0.98 C ATOM 1665 O PRO A 104 -3.067 -12.307 8.771 1.00 1.14 O ATOM 1666 CB PRO A 104 -3.493 -12.568 11.504 1.00 1.15 C ATOM 1667 CG PRO A 104 -4.871 -12.092 12.033 1.00 1.18 C ATOM 1668 CD PRO A 104 -4.969 -10.578 11.786 1.00 1.00 C ATOM 0 HA PRO A 104 -1.810 -11.166 11.452 1.00 0.96 H new ATOM 0 HB2 PRO A 104 -3.621 -13.323 10.729 1.00 1.15 H new ATOM 0 HB3 PRO A 104 -2.914 -13.028 12.305 1.00 1.15 H new ATOM 0 HG2 PRO A 104 -5.679 -12.616 11.522 1.00 1.18 H new ATOM 0 HG3 PRO A 104 -4.970 -12.313 13.096 1.00 1.18 H new ATOM 0 HD2 PRO A 104 -5.826 -10.334 11.159 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.093 -10.032 12.721 1.00 1.00 H new ATOM 1676 N VAL A 105 -1.436 -10.850 8.976 1.00 0.87 N ATOM 1677 CA VAL A 105 -1.056 -10.999 7.543 1.00 0.96 C ATOM 1678 C VAL A 105 0.137 -11.951 7.440 1.00 1.34 C ATOM 1679 O VAL A 105 1.149 -11.633 6.847 1.00 2.09 O ATOM 1680 CB VAL A 105 -0.673 -9.630 6.973 1.00 0.88 C ATOM 1681 CG1 VAL A 105 0.561 -9.097 7.704 1.00 1.03 C ATOM 1682 CG2 VAL A 105 -0.360 -9.768 5.481 1.00 1.94 C ATOM 0 H VAL A 105 -0.869 -10.191 9.509 1.00 0.87 H new ATOM 0 HA VAL A 105 -1.896 -11.402 6.977 1.00 0.96 H new ATOM 0 HB VAL A 105 -1.503 -8.937 7.109 1.00 0.88 H new ATOM 0 HG11 VAL A 105 0.832 -8.123 7.297 1.00 1.03 H new ATOM 0 HG12 VAL A 105 0.340 -8.998 8.767 1.00 1.03 H new ATOM 0 HG13 VAL A 105 1.391 -9.790 7.570 1.00 1.03 H new ATOM 0 HG21 VAL A 105 -0.087 -8.794 5.075 1.00 1.94 H new ATOM 0 HG22 VAL A 105 0.469 -10.462 5.346 1.00 1.94 H new ATOM 0 HG23 VAL A 105 -1.239 -10.146 4.958 1.00 1.94 H new ATOM 1692 N LYS A 106 0.031 -13.116 8.021 1.00 1.38 N ATOM 1693 CA LYS A 106 1.166 -14.079 7.964 1.00 1.89 C ATOM 1694 C LYS A 106 0.694 -15.422 7.397 1.00 1.59 C ATOM 1695 O LYS A 106 0.971 -16.470 7.946 1.00 1.90 O ATOM 1696 CB LYS A 106 1.722 -14.286 9.374 1.00 2.85 C ATOM 1697 CG LYS A 106 1.617 -12.976 10.159 1.00 3.13 C ATOM 1698 CD LYS A 106 0.301 -12.951 10.938 1.00 3.06 C ATOM 1699 CE LYS A 106 0.590 -13.084 12.435 1.00 3.90 C ATOM 1700 NZ LYS A 106 -0.675 -13.393 13.160 1.00 4.24 N ATOM 0 H LYS A 106 -0.790 -13.441 8.531 1.00 1.38 H new ATOM 0 HA LYS A 106 1.944 -13.677 7.315 1.00 1.89 H new ATOM 0 HB2 LYS A 106 1.167 -15.074 9.884 1.00 2.85 H new ATOM 0 HB3 LYS A 106 2.761 -14.610 9.323 1.00 2.85 H new ATOM 0 HG2 LYS A 106 2.459 -12.882 10.844 1.00 3.13 H new ATOM 0 HG3 LYS A 106 1.664 -12.127 9.477 1.00 3.13 H new ATOM 0 HD2 LYS A 106 -0.233 -12.021 10.741 1.00 3.06 H new ATOM 0 HD3 LYS A 106 -0.345 -13.765 10.608 1.00 3.06 H new ATOM 0 HE2 LYS A 106 1.322 -13.873 12.606 1.00 3.90 H new ATOM 0 HE3 LYS A 106 1.023 -12.159 12.816 1.00 3.90 H new ATOM 0 HZ1 LYS A 106 -0.451 -13.795 14.093 1.00 4.24 H new ATOM 0 HZ2 LYS A 106 -1.227 -12.520 13.282 1.00 4.24 H new ATOM 0 HZ3 LYS A 106 -1.231 -14.080 12.612 1.00 4.24 H new ATOM 1714 N GLU A 107 -0.004 -15.399 6.295 1.00 1.31 N ATOM 1715 CA GLU A 107 -0.480 -16.672 5.683 1.00 1.18 C ATOM 1716 C GLU A 107 -0.515 -16.515 4.168 1.00 0.62 C ATOM 1717 O GLU A 107 -1.548 -16.275 3.574 1.00 0.37 O ATOM 1718 CB GLU A 107 -1.878 -17.018 6.205 1.00 1.55 C ATOM 1719 CG GLU A 107 -2.823 -15.837 5.975 1.00 1.35 C ATOM 1720 CD GLU A 107 -3.604 -15.553 7.259 1.00 2.62 C ATOM 1721 OE1 GLU A 107 -3.796 -16.478 8.030 1.00 3.11 O ATOM 1722 OE2 GLU A 107 -3.996 -14.413 7.450 1.00 3.45 O ATOM 0 H GLU A 107 -0.266 -14.552 5.791 1.00 1.31 H new ATOM 0 HA GLU A 107 0.201 -17.480 5.952 1.00 1.18 H new ATOM 0 HB2 GLU A 107 -2.257 -17.904 5.696 1.00 1.55 H new ATOM 0 HB3 GLU A 107 -1.831 -17.257 7.268 1.00 1.55 H new ATOM 0 HG2 GLU A 107 -2.255 -14.955 5.679 1.00 1.35 H new ATOM 0 HG3 GLU A 107 -3.511 -16.061 5.160 1.00 1.35 H new ATOM 1729 N ALA A 108 0.617 -16.653 3.544 1.00 0.83 N ATOM 1730 CA ALA A 108 0.682 -16.519 2.068 1.00 0.80 C ATOM 1731 C ALA A 108 2.093 -16.870 1.601 1.00 1.03 C ATOM 1732 O ALA A 108 3.044 -16.805 2.354 1.00 1.17 O ATOM 1733 CB ALA A 108 0.353 -15.079 1.669 1.00 0.81 C ATOM 0 H ALA A 108 1.508 -16.855 3.998 1.00 0.83 H new ATOM 0 HA ALA A 108 -0.039 -17.192 1.604 1.00 0.80 H new ATOM 0 HB1 ALA A 108 0.401 -14.982 0.584 1.00 0.81 H new ATOM 0 HB2 ALA A 108 -0.650 -14.827 2.012 1.00 0.81 H new ATOM 0 HB3 ALA A 108 1.074 -14.401 2.126 1.00 0.81 H new ATOM 1739 N ASP A 109 2.233 -17.240 0.365 1.00 1.22 N ATOM 1740 CA ASP A 109 3.580 -17.594 -0.158 1.00 1.52 C ATOM 1741 C ASP A 109 4.428 -16.327 -0.233 1.00 1.26 C ATOM 1742 O ASP A 109 4.058 -15.292 0.283 1.00 1.03 O ATOM 1743 CB ASP A 109 3.449 -18.201 -1.556 1.00 1.80 C ATOM 1744 CG ASP A 109 2.375 -19.290 -1.544 1.00 2.59 C ATOM 1745 OD1 ASP A 109 2.657 -20.367 -1.045 1.00 1.92 O ATOM 1746 OD2 ASP A 109 1.289 -19.029 -2.035 1.00 4.13 O ATOM 0 H ASP A 109 1.472 -17.314 -0.310 1.00 1.22 H new ATOM 0 HA ASP A 109 4.051 -18.320 0.504 1.00 1.52 H new ATOM 0 HB2 ASP A 109 3.188 -17.426 -2.277 1.00 1.80 H new ATOM 0 HB3 ASP A 109 4.404 -18.621 -1.872 1.00 1.80 H new ATOM 1751 N GLN A 110 5.559 -16.393 -0.875 1.00 1.37 N ATOM 1752 CA GLN A 110 6.413 -15.182 -0.980 1.00 1.12 C ATOM 1753 C GLN A 110 6.169 -14.511 -2.329 1.00 0.95 C ATOM 1754 O GLN A 110 6.857 -14.764 -3.297 1.00 1.04 O ATOM 1755 CB GLN A 110 7.887 -15.571 -0.856 1.00 1.22 C ATOM 1756 CG GLN A 110 8.557 -14.709 0.216 1.00 0.55 C ATOM 1757 CD GLN A 110 9.669 -15.513 0.894 1.00 1.25 C ATOM 1758 OE1 GLN A 110 9.932 -16.639 0.522 1.00 2.20 O ATOM 1759 NE2 GLN A 110 10.336 -14.981 1.882 1.00 1.30 N ATOM 0 H GLN A 110 5.927 -17.229 -1.329 1.00 1.37 H new ATOM 0 HA GLN A 110 6.162 -14.490 -0.176 1.00 1.12 H new ATOM 0 HB2 GLN A 110 7.974 -16.626 -0.596 1.00 1.22 H new ATOM 0 HB3 GLN A 110 8.391 -15.436 -1.813 1.00 1.22 H new ATOM 0 HG2 GLN A 110 8.969 -13.805 -0.233 1.00 0.55 H new ATOM 0 HG3 GLN A 110 7.821 -14.391 0.955 1.00 0.55 H new ATOM 0 HE21 GLN A 110 10.116 -14.036 2.195 1.00 1.30 H new ATOM 0 HE22 GLN A 110 11.077 -15.511 2.341 1.00 1.30 H new ATOM 1768 N SER A 111 5.189 -13.657 -2.400 1.00 0.81 N ATOM 1769 CA SER A 111 4.895 -12.966 -3.686 1.00 0.74 C ATOM 1770 C SER A 111 5.984 -11.928 -3.955 1.00 0.60 C ATOM 1771 O SER A 111 7.005 -11.907 -3.300 1.00 0.99 O ATOM 1772 CB SER A 111 3.537 -12.268 -3.583 1.00 0.61 C ATOM 1773 OG SER A 111 3.731 -10.871 -3.401 1.00 1.19 O ATOM 0 H SER A 111 4.578 -13.407 -1.623 1.00 0.81 H new ATOM 0 HA SER A 111 4.871 -13.690 -4.500 1.00 0.74 H new ATOM 0 HB2 SER A 111 2.954 -12.450 -4.486 1.00 0.61 H new ATOM 0 HB3 SER A 111 2.968 -12.678 -2.748 1.00 0.61 H new ATOM 0 HG SER A 111 3.689 -10.657 -2.446 1.00 1.19 H new ATOM 1779 N THR A 112 5.780 -11.073 -4.914 1.00 0.92 N ATOM 1780 CA THR A 112 6.808 -10.041 -5.217 1.00 0.71 C ATOM 1781 C THR A 112 6.198 -8.652 -5.037 1.00 0.59 C ATOM 1782 O THR A 112 5.046 -8.424 -5.346 1.00 0.69 O ATOM 1783 CB THR A 112 7.291 -10.216 -6.657 1.00 0.77 C ATOM 1784 OG1 THR A 112 6.211 -9.983 -7.549 1.00 0.91 O ATOM 1785 CG2 THR A 112 7.812 -11.641 -6.841 1.00 1.03 C ATOM 0 H THR A 112 4.947 -11.043 -5.501 1.00 0.92 H new ATOM 0 HA THR A 112 7.654 -10.152 -4.539 1.00 0.71 H new ATOM 0 HB THR A 112 8.090 -9.505 -6.867 1.00 0.77 H new ATOM 0 HG1 THR A 112 6.520 -10.093 -8.473 1.00 0.91 H new ATOM 0 HG21 THR A 112 8.158 -11.772 -7.866 1.00 1.03 H new ATOM 0 HG22 THR A 112 8.639 -11.818 -6.153 1.00 1.03 H new ATOM 0 HG23 THR A 112 7.011 -12.351 -6.635 1.00 1.03 H new ATOM 1793 N LEU A 113 6.961 -7.722 -4.535 1.00 0.46 N ATOM 1794 CA LEU A 113 6.424 -6.346 -4.330 1.00 0.48 C ATOM 1795 C LEU A 113 5.931 -5.769 -5.662 1.00 0.50 C ATOM 1796 O LEU A 113 5.139 -4.848 -5.689 1.00 0.57 O ATOM 1797 CB LEU A 113 7.528 -5.451 -3.767 1.00 0.52 C ATOM 1798 CG LEU A 113 6.948 -4.551 -2.675 1.00 0.53 C ATOM 1799 CD1 LEU A 113 5.743 -3.789 -3.229 1.00 1.65 C ATOM 1800 CD2 LEU A 113 6.503 -5.409 -1.487 1.00 2.35 C ATOM 0 H LEU A 113 7.934 -7.854 -4.257 1.00 0.46 H new ATOM 0 HA LEU A 113 5.590 -6.389 -3.630 1.00 0.48 H new ATOM 0 HB2 LEU A 113 8.334 -6.062 -3.360 1.00 0.52 H new ATOM 0 HB3 LEU A 113 7.959 -4.844 -4.563 1.00 0.52 H new ATOM 0 HG LEU A 113 7.709 -3.843 -2.348 1.00 0.53 H new ATOM 0 HD11 LEU A 113 5.329 -3.147 -2.451 1.00 1.65 H new ATOM 0 HD12 LEU A 113 6.057 -3.177 -4.075 1.00 1.65 H new ATOM 0 HD13 LEU A 113 4.983 -4.498 -3.556 1.00 1.65 H new ATOM 0 HD21 LEU A 113 6.090 -4.767 -0.709 1.00 2.35 H new ATOM 0 HD22 LEU A 113 5.742 -6.118 -1.815 1.00 2.35 H new ATOM 0 HD23 LEU A 113 7.360 -5.954 -1.091 1.00 2.35 H new ATOM 1812 N GLU A 114 6.394 -6.291 -6.767 1.00 0.48 N ATOM 1813 CA GLU A 114 5.950 -5.758 -8.085 1.00 0.51 C ATOM 1814 C GLU A 114 4.521 -6.217 -8.380 1.00 0.47 C ATOM 1815 O GLU A 114 3.600 -5.429 -8.400 1.00 0.39 O ATOM 1816 CB GLU A 114 6.886 -6.272 -9.180 1.00 0.59 C ATOM 1817 CG GLU A 114 7.657 -5.097 -9.783 1.00 1.01 C ATOM 1818 CD GLU A 114 8.974 -5.601 -10.376 1.00 1.18 C ATOM 1819 OE1 GLU A 114 9.226 -6.791 -10.285 1.00 0.61 O ATOM 1820 OE2 GLU A 114 9.710 -4.787 -10.911 1.00 2.24 O ATOM 0 H GLU A 114 7.060 -7.063 -6.812 1.00 0.48 H new ATOM 0 HA GLU A 114 5.976 -4.669 -8.059 1.00 0.51 H new ATOM 0 HB2 GLU A 114 7.581 -7.003 -8.766 1.00 0.59 H new ATOM 0 HB3 GLU A 114 6.312 -6.781 -9.955 1.00 0.59 H new ATOM 0 HG2 GLU A 114 7.059 -4.614 -10.556 1.00 1.01 H new ATOM 0 HG3 GLU A 114 7.854 -4.347 -9.017 1.00 1.01 H new ATOM 1827 N ASN A 115 4.333 -7.484 -8.618 1.00 0.69 N ATOM 1828 CA ASN A 115 2.965 -7.999 -8.923 1.00 0.69 C ATOM 1829 C ASN A 115 1.980 -7.577 -7.827 1.00 0.68 C ATOM 1830 O ASN A 115 0.793 -7.489 -8.055 1.00 0.70 O ATOM 1831 CB ASN A 115 3.006 -9.527 -9.002 1.00 0.71 C ATOM 1832 CG ASN A 115 2.453 -9.982 -10.353 1.00 1.43 C ATOM 1833 OD1 ASN A 115 2.997 -10.871 -10.977 1.00 2.07 O ATOM 1834 ND2 ASN A 115 1.386 -9.406 -10.832 1.00 2.15 N ATOM 0 H ASN A 115 5.069 -8.190 -8.615 1.00 0.69 H new ATOM 0 HA ASN A 115 2.635 -7.584 -9.875 1.00 0.69 H new ATOM 0 HB2 ASN A 115 4.029 -9.881 -8.878 1.00 0.71 H new ATOM 0 HB3 ASN A 115 2.419 -9.960 -8.192 1.00 0.71 H new ATOM 0 HD21 ASN A 115 1.007 -9.702 -11.732 1.00 2.15 H new ATOM 0 HD22 ASN A 115 0.930 -8.660 -10.307 1.00 2.15 H new ATOM 1841 N PHE A 116 2.456 -7.322 -6.641 1.00 0.67 N ATOM 1842 CA PHE A 116 1.534 -6.917 -5.539 1.00 0.65 C ATOM 1843 C PHE A 116 1.156 -5.440 -5.698 1.00 0.55 C ATOM 1844 O PHE A 116 0.027 -5.054 -5.472 1.00 0.47 O ATOM 1845 CB PHE A 116 2.234 -7.136 -4.197 1.00 0.60 C ATOM 1846 CG PHE A 116 1.483 -6.414 -3.106 1.00 0.58 C ATOM 1847 CD1 PHE A 116 0.179 -6.801 -2.777 1.00 0.89 C ATOM 1848 CD2 PHE A 116 2.095 -5.358 -2.423 1.00 0.34 C ATOM 1849 CE1 PHE A 116 -0.514 -6.129 -1.763 1.00 0.87 C ATOM 1850 CE2 PHE A 116 1.403 -4.685 -1.411 1.00 0.33 C ATOM 1851 CZ PHE A 116 0.098 -5.070 -1.080 1.00 0.53 C ATOM 0 H PHE A 116 3.442 -7.376 -6.385 1.00 0.67 H new ATOM 0 HA PHE A 116 0.626 -7.519 -5.578 1.00 0.65 H new ATOM 0 HB2 PHE A 116 2.285 -8.201 -3.972 1.00 0.60 H new ATOM 0 HB3 PHE A 116 3.260 -6.771 -4.248 1.00 0.60 H new ATOM 0 HD1 PHE A 116 -0.292 -7.617 -3.305 1.00 0.89 H new ATOM 0 HD2 PHE A 116 3.102 -5.062 -2.677 1.00 0.34 H new ATOM 0 HE1 PHE A 116 -1.520 -6.427 -1.507 1.00 0.87 H new ATOM 0 HE2 PHE A 116 1.875 -3.868 -0.885 1.00 0.33 H new ATOM 0 HZ PHE A 116 -0.437 -4.551 -0.298 1.00 0.53 H new ATOM 1861 N LEU A 117 2.085 -4.612 -6.095 1.00 0.66 N ATOM 1862 CA LEU A 117 1.761 -3.168 -6.277 1.00 0.59 C ATOM 1863 C LEU A 117 0.777 -3.025 -7.441 1.00 0.56 C ATOM 1864 O LEU A 117 -0.072 -2.157 -7.450 1.00 0.53 O ATOM 1865 CB LEU A 117 3.041 -2.387 -6.589 1.00 0.66 C ATOM 1866 CG LEU A 117 3.577 -1.750 -5.305 1.00 0.64 C ATOM 1867 CD1 LEU A 117 5.013 -1.273 -5.531 1.00 1.78 C ATOM 1868 CD2 LEU A 117 2.698 -0.556 -4.924 1.00 0.70 C ATOM 0 H LEU A 117 3.050 -4.872 -6.300 1.00 0.66 H new ATOM 0 HA LEU A 117 1.316 -2.772 -5.364 1.00 0.59 H new ATOM 0 HB2 LEU A 117 3.790 -3.053 -7.017 1.00 0.66 H new ATOM 0 HB3 LEU A 117 2.837 -1.616 -7.332 1.00 0.66 H new ATOM 0 HG LEU A 117 3.562 -2.486 -4.501 1.00 0.64 H new ATOM 0 HD11 LEU A 117 5.394 -0.819 -4.616 1.00 1.78 H new ATOM 0 HD12 LEU A 117 5.640 -2.122 -5.803 1.00 1.78 H new ATOM 0 HD13 LEU A 117 5.030 -0.537 -6.335 1.00 1.78 H new ATOM 0 HD21 LEU A 117 3.079 -0.101 -4.009 1.00 0.70 H new ATOM 0 HD22 LEU A 117 2.714 0.179 -5.729 1.00 0.70 H new ATOM 0 HD23 LEU A 117 1.675 -0.895 -4.762 1.00 0.70 H new ATOM 1880 N GLU A 118 0.884 -3.885 -8.416 1.00 0.65 N ATOM 1881 CA GLU A 118 -0.042 -3.825 -9.579 1.00 0.72 C ATOM 1882 C GLU A 118 -1.436 -4.241 -9.116 1.00 0.55 C ATOM 1883 O GLU A 118 -2.411 -3.557 -9.348 1.00 0.51 O ATOM 1884 CB GLU A 118 0.456 -4.787 -10.664 1.00 0.95 C ATOM 1885 CG GLU A 118 -0.701 -5.185 -11.584 1.00 0.94 C ATOM 1886 CD GLU A 118 -1.409 -3.927 -12.092 1.00 2.57 C ATOM 1887 OE1 GLU A 118 -0.719 -3.008 -12.500 1.00 3.23 O ATOM 1888 OE2 GLU A 118 -2.628 -3.904 -12.062 1.00 3.53 O ATOM 0 H GLU A 118 1.578 -4.631 -8.456 1.00 0.65 H new ATOM 0 HA GLU A 118 -0.079 -2.814 -9.985 1.00 0.72 H new ATOM 0 HB2 GLU A 118 1.247 -4.314 -11.245 1.00 0.95 H new ATOM 0 HB3 GLU A 118 0.887 -5.676 -10.203 1.00 0.95 H new ATOM 0 HG2 GLU A 118 -0.326 -5.768 -12.425 1.00 0.94 H new ATOM 0 HG3 GLU A 118 -1.406 -5.819 -11.046 1.00 0.94 H new ATOM 1895 N ARG A 119 -1.529 -5.357 -8.451 1.00 0.50 N ATOM 1896 CA ARG A 119 -2.851 -5.832 -7.951 1.00 0.34 C ATOM 1897 C ARG A 119 -3.370 -4.864 -6.881 1.00 0.14 C ATOM 1898 O ARG A 119 -4.533 -4.872 -6.546 1.00 0.11 O ATOM 1899 CB ARG A 119 -2.696 -7.230 -7.342 1.00 0.45 C ATOM 1900 CG ARG A 119 -2.053 -8.172 -8.364 1.00 0.75 C ATOM 1901 CD ARG A 119 -1.330 -9.306 -7.634 1.00 2.05 C ATOM 1902 NE ARG A 119 -2.074 -10.581 -7.837 1.00 1.92 N ATOM 1903 CZ ARG A 119 -1.519 -11.739 -7.562 1.00 3.37 C ATOM 1904 NH1 ARG A 119 -0.290 -11.815 -7.107 1.00 4.93 N ATOM 1905 NH2 ARG A 119 -2.201 -12.834 -7.748 1.00 3.49 N ATOM 0 H ARG A 119 -0.741 -5.966 -8.230 1.00 0.50 H new ATOM 0 HA ARG A 119 -3.559 -5.873 -8.779 1.00 0.34 H new ATOM 0 HB2 ARG A 119 -2.081 -7.179 -6.443 1.00 0.45 H new ATOM 0 HB3 ARG A 119 -3.670 -7.616 -7.041 1.00 0.45 H new ATOM 0 HG2 ARG A 119 -2.816 -8.581 -9.027 1.00 0.75 H new ATOM 0 HG3 ARG A 119 -1.350 -7.621 -8.989 1.00 0.75 H new ATOM 0 HD2 ARG A 119 -0.311 -9.403 -8.009 1.00 2.05 H new ATOM 0 HD3 ARG A 119 -1.258 -9.080 -6.570 1.00 2.05 H new ATOM 0 HE ARG A 119 -3.029 -10.554 -8.195 1.00 1.92 H new ATOM 0 HH11 ARG A 119 0.253 -10.964 -6.961 1.00 4.93 H new ATOM 0 HH12 ARG A 119 0.122 -12.725 -6.900 1.00 4.93 H new ATOM 0 HH21 ARG A 119 -3.156 -12.786 -8.104 1.00 3.49 H new ATOM 0 HH22 ARG A 119 -1.780 -13.739 -7.538 1.00 3.49 H new ATOM 1919 N LEU A 120 -2.525 -4.018 -6.347 1.00 0.20 N ATOM 1920 CA LEU A 120 -3.003 -3.052 -5.323 1.00 0.13 C ATOM 1921 C LEU A 120 -3.779 -1.948 -6.041 1.00 0.15 C ATOM 1922 O LEU A 120 -4.862 -1.572 -5.643 1.00 0.28 O ATOM 1923 CB LEU A 120 -1.805 -2.445 -4.592 1.00 0.21 C ATOM 1924 CG LEU A 120 -1.744 -2.985 -3.163 1.00 0.70 C ATOM 1925 CD1 LEU A 120 -0.488 -2.449 -2.475 1.00 0.75 C ATOM 1926 CD2 LEU A 120 -2.985 -2.524 -2.394 1.00 0.90 C ATOM 0 H LEU A 120 -1.533 -3.958 -6.576 1.00 0.20 H new ATOM 0 HA LEU A 120 -3.641 -3.554 -4.596 1.00 0.13 H new ATOM 0 HB2 LEU A 120 -0.883 -2.686 -5.122 1.00 0.21 H new ATOM 0 HB3 LEU A 120 -1.889 -1.358 -4.577 1.00 0.21 H new ATOM 0 HG LEU A 120 -1.712 -4.074 -3.182 1.00 0.70 H new ATOM 0 HD11 LEU A 120 -0.440 -2.832 -1.455 1.00 0.75 H new ATOM 0 HD12 LEU A 120 0.395 -2.773 -3.026 1.00 0.75 H new ATOM 0 HD13 LEU A 120 -0.522 -1.360 -2.453 1.00 0.75 H new ATOM 0 HD21 LEU A 120 -2.945 -2.907 -1.374 1.00 0.90 H new ATOM 0 HD22 LEU A 120 -3.015 -1.435 -2.371 1.00 0.90 H new ATOM 0 HD23 LEU A 120 -3.880 -2.901 -2.888 1.00 0.90 H new ATOM 1938 N LYS A 121 -3.231 -1.446 -7.115 1.00 0.22 N ATOM 1939 CA LYS A 121 -3.925 -0.382 -7.898 1.00 0.38 C ATOM 1940 C LYS A 121 -5.249 -0.934 -8.414 1.00 0.53 C ATOM 1941 O LYS A 121 -6.308 -0.403 -8.158 1.00 0.84 O ATOM 1942 CB LYS A 121 -3.067 -0.014 -9.107 1.00 0.47 C ATOM 1943 CG LYS A 121 -1.944 0.933 -8.691 1.00 1.42 C ATOM 1944 CD LYS A 121 -1.211 1.452 -9.936 1.00 1.67 C ATOM 1945 CE LYS A 121 -1.490 0.542 -11.140 1.00 1.54 C ATOM 1946 NZ LYS A 121 -0.599 0.930 -12.270 1.00 1.92 N ATOM 0 H LYS A 121 -2.325 -1.730 -7.487 1.00 0.22 H new ATOM 0 HA LYS A 121 -4.090 0.490 -7.265 1.00 0.38 H new ATOM 0 HB2 LYS A 121 -2.646 -0.916 -9.551 1.00 0.47 H new ATOM 0 HB3 LYS A 121 -3.686 0.458 -9.871 1.00 0.47 H new ATOM 0 HG2 LYS A 121 -2.353 1.769 -8.124 1.00 1.42 H new ATOM 0 HG3 LYS A 121 -1.244 0.415 -8.035 1.00 1.42 H new ATOM 0 HD2 LYS A 121 -1.534 2.469 -10.158 1.00 1.67 H new ATOM 0 HD3 LYS A 121 -0.139 1.493 -9.744 1.00 1.67 H new ATOM 0 HE2 LYS A 121 -1.320 -0.500 -10.869 1.00 1.54 H new ATOM 0 HE3 LYS A 121 -2.534 0.627 -11.440 1.00 1.54 H new ATOM 0 HZ1 LYS A 121 -0.786 0.314 -13.087 1.00 1.92 H new ATOM 0 HZ2 LYS A 121 -0.782 1.919 -12.533 1.00 1.92 H new ATOM 0 HZ3 LYS A 121 0.394 0.827 -11.980 1.00 1.92 H new ATOM 1960 N THR A 122 -5.166 -1.995 -9.163 1.00 0.43 N ATOM 1961 CA THR A 122 -6.383 -2.630 -9.750 1.00 0.50 C ATOM 1962 C THR A 122 -7.449 -2.834 -8.670 1.00 0.46 C ATOM 1963 O THR A 122 -8.599 -2.490 -8.843 1.00 0.64 O ATOM 1964 CB THR A 122 -6.007 -3.996 -10.353 1.00 0.47 C ATOM 1965 OG1 THR A 122 -4.680 -4.348 -9.989 1.00 0.42 O ATOM 1966 CG2 THR A 122 -6.113 -3.921 -11.876 1.00 0.64 C ATOM 0 H THR A 122 -4.290 -2.460 -9.400 1.00 0.43 H new ATOM 0 HA THR A 122 -6.782 -1.977 -10.526 1.00 0.50 H new ATOM 0 HB THR A 122 -6.690 -4.754 -9.969 1.00 0.47 H new ATOM 0 HG1 THR A 122 -4.056 -4.021 -10.671 1.00 0.42 H new ATOM 0 HG21 THR A 122 -5.848 -4.886 -12.307 1.00 0.64 H new ATOM 0 HG22 THR A 122 -7.135 -3.666 -12.158 1.00 0.64 H new ATOM 0 HG23 THR A 122 -5.432 -3.157 -12.251 1.00 0.64 H new ATOM 1974 N ILE A 123 -7.069 -3.404 -7.570 1.00 0.31 N ATOM 1975 CA ILE A 123 -8.042 -3.659 -6.464 1.00 0.48 C ATOM 1976 C ILE A 123 -8.679 -2.349 -5.996 1.00 0.61 C ATOM 1977 O ILE A 123 -9.832 -2.310 -5.621 1.00 0.82 O ATOM 1978 CB ILE A 123 -7.298 -4.287 -5.288 1.00 0.51 C ATOM 1979 CG1 ILE A 123 -7.305 -5.816 -5.410 1.00 0.52 C ATOM 1980 CG2 ILE A 123 -7.983 -3.886 -3.978 1.00 0.97 C ATOM 1981 CD1 ILE A 123 -7.194 -6.237 -6.880 1.00 1.35 C ATOM 0 H ILE A 123 -6.115 -3.711 -7.380 1.00 0.31 H new ATOM 0 HA ILE A 123 -8.824 -4.326 -6.828 1.00 0.48 H new ATOM 0 HB ILE A 123 -6.268 -3.932 -5.294 1.00 0.51 H new ATOM 0 HG12 ILE A 123 -6.475 -6.236 -4.841 1.00 0.52 H new ATOM 0 HG13 ILE A 123 -8.222 -6.217 -4.979 1.00 0.52 H new ATOM 0 HG21 ILE A 123 -7.452 -4.334 -3.138 1.00 0.97 H new ATOM 0 HG22 ILE A 123 -7.970 -2.801 -3.878 1.00 0.97 H new ATOM 0 HG23 ILE A 123 -9.015 -4.238 -3.984 1.00 0.97 H new ATOM 0 HD11 ILE A 123 -7.200 -7.325 -6.948 1.00 1.35 H new ATOM 0 HD12 ILE A 123 -8.038 -5.833 -7.439 1.00 1.35 H new ATOM 0 HD13 ILE A 123 -6.264 -5.853 -7.299 1.00 1.35 H new ATOM 1993 N MET A 124 -7.931 -1.287 -5.983 1.00 0.50 N ATOM 1994 CA MET A 124 -8.486 0.015 -5.505 1.00 0.64 C ATOM 1995 C MET A 124 -9.431 0.628 -6.548 1.00 0.73 C ATOM 1996 O MET A 124 -10.315 1.387 -6.215 1.00 0.82 O ATOM 1997 CB MET A 124 -7.336 0.991 -5.242 1.00 0.60 C ATOM 1998 CG MET A 124 -6.359 0.373 -4.240 1.00 0.65 C ATOM 1999 SD MET A 124 -6.788 0.909 -2.567 1.00 0.70 S ATOM 2000 CE MET A 124 -5.728 2.375 -2.513 1.00 0.42 C ATOM 0 H MET A 124 -6.956 -1.259 -6.282 1.00 0.50 H new ATOM 0 HA MET A 124 -9.047 -0.168 -4.589 1.00 0.64 H new ATOM 0 HB2 MET A 124 -6.820 1.221 -6.174 1.00 0.60 H new ATOM 0 HB3 MET A 124 -7.726 1.932 -4.853 1.00 0.60 H new ATOM 0 HG2 MET A 124 -6.395 -0.714 -4.305 1.00 0.65 H new ATOM 0 HG3 MET A 124 -5.339 0.673 -4.479 1.00 0.65 H new ATOM 0 HE1 MET A 124 -5.256 2.447 -1.533 1.00 0.42 H new ATOM 0 HE2 MET A 124 -4.959 2.296 -3.281 1.00 0.42 H new ATOM 0 HE3 MET A 124 -6.330 3.266 -2.692 1.00 0.42 H new ATOM 2010 N ARG A 125 -9.240 0.332 -7.803 1.00 0.87 N ATOM 2011 CA ARG A 125 -10.111 0.939 -8.855 1.00 0.98 C ATOM 2012 C ARG A 125 -11.440 0.187 -8.999 1.00 1.18 C ATOM 2013 O ARG A 125 -12.462 0.779 -9.284 1.00 1.29 O ATOM 2014 CB ARG A 125 -9.371 0.907 -10.193 1.00 1.06 C ATOM 2015 CG ARG A 125 -8.480 2.145 -10.315 1.00 1.28 C ATOM 2016 CD ARG A 125 -7.190 1.777 -11.051 1.00 1.93 C ATOM 2017 NE ARG A 125 -6.850 2.853 -12.026 1.00 1.88 N ATOM 2018 CZ ARG A 125 -5.656 2.920 -12.569 1.00 2.74 C ATOM 2019 NH1 ARG A 125 -4.725 2.043 -12.278 1.00 3.69 N ATOM 2020 NH2 ARG A 125 -5.391 3.876 -13.416 1.00 2.86 N ATOM 0 H ARG A 125 -8.520 -0.303 -8.148 1.00 0.87 H new ATOM 0 HA ARG A 125 -10.335 1.964 -8.559 1.00 0.98 H new ATOM 0 HB2 ARG A 125 -8.767 0.003 -10.265 1.00 1.06 H new ATOM 0 HB3 ARG A 125 -10.086 0.878 -11.015 1.00 1.06 H new ATOM 0 HG2 ARG A 125 -9.006 2.933 -10.854 1.00 1.28 H new ATOM 0 HG3 ARG A 125 -8.247 2.537 -9.325 1.00 1.28 H new ATOM 0 HD2 ARG A 125 -6.376 1.647 -10.338 1.00 1.93 H new ATOM 0 HD3 ARG A 125 -7.313 0.827 -11.570 1.00 1.93 H new ATOM 0 HE ARG A 125 -7.555 3.547 -12.275 1.00 1.88 H new ATOM 0 HH11 ARG A 125 -4.922 1.290 -11.618 1.00 3.69 H new ATOM 0 HH12 ARG A 125 -3.804 2.114 -12.711 1.00 3.69 H new ATOM 0 HH21 ARG A 125 -6.108 4.562 -13.651 1.00 2.86 H new ATOM 0 HH22 ARG A 125 -4.467 3.937 -13.843 1.00 2.86 H new ATOM 2034 N GLU A 126 -11.443 -1.105 -8.833 1.00 1.26 N ATOM 2035 CA GLU A 126 -12.719 -1.866 -8.996 1.00 1.47 C ATOM 2036 C GLU A 126 -13.460 -1.969 -7.662 1.00 1.58 C ATOM 2037 O GLU A 126 -14.673 -2.028 -7.620 1.00 1.94 O ATOM 2038 CB GLU A 126 -12.409 -3.272 -9.512 1.00 1.37 C ATOM 2039 CG GLU A 126 -13.045 -3.460 -10.890 1.00 1.22 C ATOM 2040 CD GLU A 126 -14.569 -3.496 -10.751 1.00 3.21 C ATOM 2041 OE1 GLU A 126 -15.039 -3.791 -9.664 1.00 4.27 O ATOM 2042 OE2 GLU A 126 -15.239 -3.227 -11.734 1.00 4.03 O ATOM 0 H GLU A 126 -10.626 -1.667 -8.593 1.00 1.26 H new ATOM 0 HA GLU A 126 -13.352 -1.337 -9.709 1.00 1.47 H new ATOM 0 HB2 GLU A 126 -11.331 -3.419 -9.574 1.00 1.37 H new ATOM 0 HB3 GLU A 126 -12.793 -4.019 -8.817 1.00 1.37 H new ATOM 0 HG2 GLU A 126 -12.749 -2.646 -11.552 1.00 1.22 H new ATOM 0 HG3 GLU A 126 -12.689 -4.385 -11.343 1.00 1.22 H new ATOM 2049 N LYS A 127 -12.746 -2.006 -6.575 1.00 1.36 N ATOM 2050 CA LYS A 127 -13.412 -2.123 -5.248 1.00 1.66 C ATOM 2051 C LYS A 127 -13.909 -0.752 -4.784 1.00 1.63 C ATOM 2052 O LYS A 127 -14.899 -0.647 -4.086 1.00 1.95 O ATOM 2053 CB LYS A 127 -12.411 -2.669 -4.229 1.00 1.63 C ATOM 2054 CG LYS A 127 -13.162 -3.191 -3.002 1.00 2.58 C ATOM 2055 CD LYS A 127 -13.502 -4.669 -3.201 1.00 2.06 C ATOM 2056 CE LYS A 127 -12.617 -5.524 -2.293 1.00 3.04 C ATOM 2057 NZ LYS A 127 -13.331 -6.786 -1.946 1.00 3.17 N ATOM 0 H LYS A 127 -11.727 -1.960 -6.546 1.00 1.36 H new ATOM 0 HA LYS A 127 -14.263 -2.799 -5.334 1.00 1.66 H new ATOM 0 HB2 LYS A 127 -11.822 -3.470 -4.676 1.00 1.63 H new ATOM 0 HB3 LYS A 127 -11.712 -1.886 -3.935 1.00 1.63 H new ATOM 0 HG2 LYS A 127 -12.551 -3.065 -2.108 1.00 2.58 H new ATOM 0 HG3 LYS A 127 -14.074 -2.615 -2.849 1.00 2.58 H new ATOM 0 HD2 LYS A 127 -14.553 -4.845 -2.972 1.00 2.06 H new ATOM 0 HD3 LYS A 127 -13.351 -4.951 -4.243 1.00 2.06 H new ATOM 0 HE2 LYS A 127 -11.677 -5.752 -2.795 1.00 3.04 H new ATOM 0 HE3 LYS A 127 -12.369 -4.973 -1.386 1.00 3.04 H new ATOM 0 HZ1 LYS A 127 -12.729 -7.367 -1.329 1.00 3.17 H new ATOM 0 HZ2 LYS A 127 -14.217 -6.559 -1.451 1.00 3.17 H new ATOM 0 HZ3 LYS A 127 -13.546 -7.314 -2.816 1.00 3.17 H new ATOM 2071 N TYR A 128 -13.230 0.301 -5.148 1.00 1.27 N ATOM 2072 CA TYR A 128 -13.672 1.652 -4.702 1.00 1.24 C ATOM 2073 C TYR A 128 -15.025 2.009 -5.330 1.00 1.88 C ATOM 2074 O TYR A 128 -15.683 2.938 -4.906 1.00 2.27 O ATOM 2075 CB TYR A 128 -12.630 2.693 -5.108 1.00 0.50 C ATOM 2076 CG TYR A 128 -11.516 2.728 -4.081 1.00 1.10 C ATOM 2077 CD1 TYR A 128 -10.980 1.536 -3.564 1.00 1.57 C ATOM 2078 CD2 TYR A 128 -11.025 3.959 -3.637 1.00 2.40 C ATOM 2079 CE1 TYR A 128 -9.960 1.584 -2.607 1.00 2.24 C ATOM 2080 CE2 TYR A 128 -10.003 4.003 -2.683 1.00 3.26 C ATOM 2081 CZ TYR A 128 -9.472 2.817 -2.167 1.00 2.93 C ATOM 2082 OH TYR A 128 -8.470 2.868 -1.220 1.00 3.86 O ATOM 0 H TYR A 128 -12.393 0.285 -5.731 1.00 1.27 H new ATOM 0 HA TYR A 128 -13.779 1.644 -3.617 1.00 1.24 H new ATOM 0 HB2 TYR A 128 -12.224 2.452 -6.091 1.00 0.50 H new ATOM 0 HB3 TYR A 128 -13.095 3.675 -5.188 1.00 0.50 H new ATOM 0 HD1 TYR A 128 -11.355 0.583 -3.905 1.00 1.57 H new ATOM 0 HD2 TYR A 128 -11.435 4.877 -4.031 1.00 2.40 H new ATOM 0 HE1 TYR A 128 -9.550 0.668 -2.209 1.00 2.24 H new ATOM 0 HE2 TYR A 128 -9.623 4.956 -2.344 1.00 3.26 H new ATOM 0 HH TYR A 128 -7.960 2.032 -1.238 1.00 3.86 H new ATOM 2092 N SER A 129 -15.457 1.286 -6.332 1.00 2.07 N ATOM 2093 CA SER A 129 -16.771 1.601 -6.965 1.00 2.81 C ATOM 2094 C SER A 129 -17.887 0.803 -6.280 1.00 3.37 C ATOM 2095 O SER A 129 -18.772 0.281 -6.929 1.00 4.11 O ATOM 2096 CB SER A 129 -16.720 1.235 -8.449 1.00 2.73 C ATOM 2097 OG SER A 129 -16.414 -0.147 -8.581 1.00 3.83 O ATOM 0 H SER A 129 -14.958 0.494 -6.737 1.00 2.07 H new ATOM 0 HA SER A 129 -16.975 2.666 -6.856 1.00 2.81 H new ATOM 0 HB2 SER A 129 -17.677 1.454 -8.923 1.00 2.73 H new ATOM 0 HB3 SER A 129 -15.967 1.836 -8.958 1.00 2.73 H new ATOM 0 HG SER A 129 -16.382 -0.386 -9.531 1.00 3.83 H new ATOM 2103 N LYS A 130 -17.857 0.701 -4.977 1.00 3.27 N ATOM 2104 CA LYS A 130 -18.920 -0.064 -4.267 1.00 3.92 C ATOM 2105 C LYS A 130 -18.975 0.370 -2.798 1.00 4.06 C ATOM 2106 O LYS A 130 -19.380 -0.385 -1.936 1.00 4.59 O ATOM 2107 CB LYS A 130 -18.607 -1.560 -4.345 1.00 4.05 C ATOM 2108 CG LYS A 130 -19.812 -2.305 -4.922 1.00 4.41 C ATOM 2109 CD LYS A 130 -19.666 -2.415 -6.442 1.00 2.94 C ATOM 2110 CE LYS A 130 -19.830 -3.875 -6.868 1.00 3.43 C ATOM 2111 NZ LYS A 130 -18.972 -4.145 -8.056 1.00 3.31 N ATOM 0 H LYS A 130 -17.143 1.114 -4.376 1.00 3.27 H new ATOM 0 HA LYS A 130 -19.883 0.133 -4.737 1.00 3.92 H new ATOM 0 HB2 LYS A 130 -17.730 -1.727 -4.970 1.00 4.05 H new ATOM 0 HB3 LYS A 130 -18.369 -1.945 -3.353 1.00 4.05 H new ATOM 0 HG2 LYS A 130 -19.884 -3.299 -4.480 1.00 4.41 H new ATOM 0 HG3 LYS A 130 -20.733 -1.778 -4.672 1.00 4.41 H new ATOM 0 HD2 LYS A 130 -20.415 -1.795 -6.935 1.00 2.94 H new ATOM 0 HD3 LYS A 130 -18.690 -2.043 -6.752 1.00 2.94 H new ATOM 0 HE2 LYS A 130 -19.553 -4.538 -6.048 1.00 3.43 H new ATOM 0 HE3 LYS A 130 -20.874 -4.081 -7.106 1.00 3.43 H new ATOM 0 HZ1 LYS A 130 -19.083 -5.138 -8.346 1.00 3.31 H new ATOM 0 HZ2 LYS A 130 -19.256 -3.522 -8.838 1.00 3.31 H new ATOM 0 HZ3 LYS A 130 -17.977 -3.964 -7.814 1.00 3.31 H new ATOM 2125 N CYS A 131 -18.573 1.577 -2.502 1.00 3.64 N ATOM 2126 CA CYS A 131 -18.609 2.044 -1.087 1.00 3.76 C ATOM 2127 C CYS A 131 -19.979 2.656 -0.785 1.00 4.23 C ATOM 2128 O CYS A 131 -20.457 2.611 0.330 1.00 4.69 O ATOM 2129 CB CYS A 131 -17.522 3.097 -0.863 1.00 3.14 C ATOM 2130 SG CYS A 131 -17.000 3.065 0.870 1.00 3.55 S ATOM 0 H CYS A 131 -18.223 2.257 -3.176 1.00 3.64 H new ATOM 0 HA CYS A 131 -18.434 1.196 -0.425 1.00 3.76 H new ATOM 0 HB2 CYS A 131 -16.670 2.900 -1.514 1.00 3.14 H new ATOM 0 HB3 CYS A 131 -17.900 4.086 -1.122 1.00 3.14 H new ATOM 2135 N SER A 132 -20.615 3.228 -1.772 1.00 4.20 N ATOM 2136 CA SER A 132 -21.953 3.842 -1.540 1.00 4.76 C ATOM 2137 C SER A 132 -22.988 2.738 -1.308 1.00 6.11 C ATOM 2138 O SER A 132 -22.785 1.597 -1.673 1.00 6.59 O ATOM 2139 CB SER A 132 -22.354 4.669 -2.762 1.00 4.33 C ATOM 2140 OG SER A 132 -22.146 3.902 -3.940 1.00 4.26 O ATOM 0 H SER A 132 -20.266 3.296 -2.728 1.00 4.20 H new ATOM 0 HA SER A 132 -21.909 4.488 -0.663 1.00 4.76 H new ATOM 0 HB2 SER A 132 -23.401 4.965 -2.687 1.00 4.33 H new ATOM 0 HB3 SER A 132 -21.766 5.586 -2.803 1.00 4.33 H new ATOM 0 HG SER A 132 -22.404 4.430 -4.724 1.00 4.26 H new ATOM 2146 N SER A 133 -24.097 3.069 -0.705 1.00 6.77 N ATOM 2147 CA SER A 133 -25.145 2.040 -0.450 1.00 8.09 C ATOM 2148 C SER A 133 -26.492 2.729 -0.226 1.00 8.84 C ATOM 2149 O SER A 133 -26.604 3.468 0.738 1.00 9.66 O ATOM 2150 CB SER A 133 -24.776 1.229 0.793 1.00 9.06 C ATOM 2151 OG SER A 133 -23.393 0.901 0.748 1.00 8.84 O ATOM 2152 OXT SER A 133 -27.388 2.506 -1.023 1.00 8.79 O ATOM 0 H SER A 133 -24.323 4.008 -0.378 1.00 6.77 H new ATOM 0 HA SER A 133 -25.214 1.374 -1.310 1.00 8.09 H new ATOM 0 HB2 SER A 133 -24.996 1.802 1.694 1.00 9.06 H new ATOM 0 HB3 SER A 133 -25.376 0.320 0.839 1.00 9.06 H new ATOM 0 HG SER A 133 -23.123 0.749 -0.182 1.00 8.84 H new TER 2158 SER A 133