USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 54 THR OG1 : rot -153:sc= 1 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 165:sc= 0.0147 (180deg=-1.62) USER MOD Single : A 29 SER OG : rot -130:sc= -0.2 USER MOD Single : A 30 ASN : amide:sc= -2.99! K(o=-3!,f=-0.49) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= -0.0971 (180deg=-0.532) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.0302 (180deg=-0.255) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -148:sc= -0.0562 (180deg=-0.714) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0242 (180deg=-0.313) USER MOD Single : A 65 SER OG : rot 69:sc= 1.3 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -112:sc= -0.487 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 176:sc= 1.07 (180deg=0.96) USER MOD Single : A 86 LYS NZ :NH3+ -153:sc= 0.691 (180deg=0.224) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -171:sc= -0.516 (180deg=-0.64) USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= -0.0087 (180deg=-0.113) USER MOD Single : A 96 LYS NZ :NH3+ 157:sc= 0.969 (180deg=0.485) USER MOD Single : A 97 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.6!) USER MOD Single : A 104 LYS NZ :NH3+ 165:sc= 1.3 (180deg=1.23) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -138:sc= 1.21 USER MOD Single : A 112 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.07) USER MOD Single : A 116 LYS NZ :NH3+ -150:sc= 1.28 (180deg=0.227) USER MOD Single : A 119 SER OG : rot -97:sc= 0.43 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -3.826 12.566 -5.214 1.00 1.16 N ATOM 2 CA GLY A 22 -3.853 11.961 -3.860 1.00 1.05 C ATOM 3 C GLY A 22 -3.543 10.482 -3.901 1.00 0.87 C ATOM 4 O GLY A 22 -4.129 9.744 -4.697 1.00 0.89 O ATOM 0 HA2 GLY A 22 -3.129 12.467 -3.221 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -4.835 12.115 -3.413 1.00 1.05 H new ATOM 7 N LEU A 23 -2.630 10.043 -3.046 1.00 0.75 N ATOM 8 CA LEU A 23 -2.218 8.647 -3.022 1.00 0.62 C ATOM 9 C LEU A 23 -2.189 8.104 -1.596 1.00 0.51 C ATOM 10 O LEU A 23 -1.710 8.766 -0.674 1.00 0.59 O ATOM 11 CB LEU A 23 -0.826 8.490 -3.647 1.00 0.75 C ATOM 12 CG LEU A 23 -0.323 7.046 -3.751 1.00 1.22 C ATOM 13 CD1 LEU A 23 -1.045 6.306 -4.865 1.00 1.78 C ATOM 14 CD2 LEU A 23 1.181 7.009 -3.966 1.00 1.91 C ATOM 0 H LEU A 23 -2.160 10.634 -2.360 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.947 8.080 -3.600 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.841 8.927 -4.646 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.112 9.066 -3.058 1.00 0.75 H new ATOM 0 HG LEU A 23 -0.541 6.543 -2.809 1.00 1.22 H new ATOM 0 HD11 LEU A 23 -0.674 5.283 -4.922 1.00 1.78 H new ATOM 0 HD12 LEU A 23 -2.115 6.292 -4.659 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -0.865 6.811 -5.814 1.00 1.78 H new ATOM 0 HD21 LEU A 23 1.513 5.973 -4.036 1.00 1.91 H new ATOM 0 HD22 LEU A 23 1.430 7.533 -4.889 1.00 1.91 H new ATOM 0 HD23 LEU A 23 1.680 7.494 -3.127 1.00 1.91 H new ATOM 26 N LEU A 24 -2.718 6.905 -1.428 1.00 0.40 N ATOM 27 CA LEU A 24 -2.607 6.176 -0.174 1.00 0.39 C ATOM 28 C LEU A 24 -1.790 4.917 -0.421 1.00 0.38 C ATOM 29 O LEU A 24 -1.817 4.372 -1.524 1.00 0.50 O ATOM 30 CB LEU A 24 -3.994 5.812 0.371 1.00 0.44 C ATOM 31 CG LEU A 24 -3.993 5.012 1.678 1.00 0.50 C ATOM 32 CD1 LEU A 24 -3.575 5.893 2.843 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.359 4.396 1.936 1.00 1.24 C ATOM 0 H LEU A 24 -3.235 6.409 -2.154 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.114 6.803 0.570 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.558 6.732 0.527 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.525 5.237 -0.388 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.269 4.203 1.581 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -3.580 5.307 3.762 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -2.572 6.280 2.665 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -4.273 6.725 2.939 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.334 3.833 2.869 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -6.106 5.186 2.009 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.617 3.727 1.115 1.00 1.24 H new ATOM 45 N VAL A 25 -1.060 4.460 0.582 1.00 0.37 N ATOM 46 CA VAL A 25 -0.196 3.306 0.404 1.00 0.40 C ATOM 47 C VAL A 25 -0.551 2.190 1.381 1.00 0.42 C ATOM 48 O VAL A 25 -0.679 2.415 2.582 1.00 0.56 O ATOM 49 CB VAL A 25 1.300 3.689 0.550 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.193 2.459 0.457 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.703 4.716 -0.503 1.00 0.84 C ATOM 0 H VAL A 25 -1.048 4.865 1.518 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.358 2.940 -0.610 1.00 0.40 H new ATOM 0 HB VAL A 25 1.433 4.134 1.536 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.236 2.758 0.563 1.00 0.95 H new ATOM 0 HG12 VAL A 25 1.933 1.760 1.252 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.050 1.978 -0.510 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.756 4.969 -0.380 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.543 4.299 -1.497 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.098 5.615 -0.385 1.00 0.84 H new ATOM 61 N LEU A 26 -0.735 0.990 0.850 1.00 0.46 N ATOM 62 CA LEU A 26 -0.991 -0.181 1.669 1.00 0.57 C ATOM 63 C LEU A 26 0.104 -1.203 1.418 1.00 0.51 C ATOM 64 O LEU A 26 0.400 -1.523 0.270 1.00 0.58 O ATOM 65 CB LEU A 26 -2.359 -0.783 1.340 1.00 0.75 C ATOM 66 CG LEU A 26 -3.545 0.175 1.464 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.834 -0.528 1.078 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.649 0.727 2.876 1.00 1.00 C ATOM 0 H LEU A 26 -0.711 0.803 -0.152 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.995 0.108 2.720 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.331 -1.170 0.321 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.531 -1.634 1.999 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.382 1.009 0.782 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.669 0.166 1.171 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.764 -0.875 0.047 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.995 -1.380 1.738 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.500 1.406 2.940 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.787 -0.095 3.579 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.735 1.267 3.124 1.00 1.00 H new ATOM 80 N ILE A 27 0.711 -1.713 2.471 1.00 0.50 N ATOM 81 CA ILE A 27 1.849 -2.600 2.314 1.00 0.49 C ATOM 82 C ILE A 27 1.737 -3.806 3.240 1.00 0.51 C ATOM 83 O ILE A 27 1.223 -3.703 4.355 1.00 0.72 O ATOM 84 CB ILE A 27 3.176 -1.847 2.580 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.386 -2.743 2.291 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.221 -1.326 4.013 1.00 1.00 C ATOM 87 CD1 ILE A 27 5.712 -2.026 2.409 1.00 0.96 C ATOM 0 H ILE A 27 0.439 -1.531 3.437 1.00 0.50 H new ATOM 0 HA ILE A 27 1.850 -2.956 1.284 1.00 0.49 H new ATOM 0 HB ILE A 27 3.221 -0.994 1.903 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.376 -3.587 2.981 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.292 -3.153 1.285 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.161 -0.800 4.180 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.388 -0.642 4.178 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.146 -2.163 4.707 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.522 -2.722 2.191 1.00 0.96 H new ATOM 0 HD12 ILE A 27 5.743 -1.199 1.700 1.00 0.96 H new ATOM 0 HD13 ILE A 27 5.828 -1.640 3.422 1.00 0.96 H new ATOM 99 N TRP A 28 2.185 -4.954 2.757 1.00 0.45 N ATOM 100 CA TRP A 28 2.248 -6.150 3.580 1.00 0.48 C ATOM 101 C TRP A 28 3.543 -6.895 3.292 1.00 0.48 C ATOM 102 O TRP A 28 3.669 -7.605 2.292 1.00 0.49 O ATOM 103 CB TRP A 28 1.034 -7.049 3.331 1.00 0.56 C ATOM 104 CG TRP A 28 0.853 -8.108 4.378 1.00 0.89 C ATOM 105 CD1 TRP A 28 0.272 -7.952 5.603 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.254 -9.480 4.296 1.00 1.15 C ATOM 107 NE1 TRP A 28 0.287 -9.142 6.287 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.883 -10.096 5.507 1.00 1.83 C ATOM 109 CE3 TRP A 28 1.889 -10.250 3.318 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.127 -11.442 5.763 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.130 -11.587 3.574 1.00 1.61 C ATOM 112 CH2 TRP A 28 1.749 -12.171 4.788 1.00 2.06 C ATOM 0 H TRP A 28 2.510 -5.082 1.799 1.00 0.45 H new ATOM 0 HA TRP A 28 2.231 -5.860 4.630 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.136 -6.432 3.290 1.00 0.56 H new ATOM 0 HB3 TRP A 28 1.138 -7.526 2.356 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -0.140 -7.027 5.979 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -0.086 -9.291 7.225 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.186 -9.808 2.378 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.835 -11.895 6.699 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 2.620 -12.191 2.825 1.00 1.61 H new ATOM 0 HH2 TRP A 28 1.950 -13.218 4.958 1.00 2.06 H new ATOM 123 N SER A 29 4.512 -6.688 4.162 1.00 0.50 N ATOM 124 CA SER A 29 5.820 -7.296 4.031 1.00 0.54 C ATOM 125 C SER A 29 6.332 -7.683 5.409 1.00 0.60 C ATOM 126 O SER A 29 5.792 -7.231 6.422 1.00 0.87 O ATOM 127 CB SER A 29 6.781 -6.297 3.367 1.00 0.57 C ATOM 128 OG SER A 29 8.086 -6.830 3.223 1.00 1.29 O ATOM 0 H SER A 29 4.413 -6.091 4.983 1.00 0.50 H new ATOM 0 HA SER A 29 5.755 -8.190 3.411 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.393 -6.018 2.387 1.00 0.57 H new ATOM 0 HB3 SER A 29 6.826 -5.386 3.964 1.00 0.57 H new ATOM 0 HG SER A 29 8.741 -6.190 3.572 1.00 1.29 H new ATOM 134 N ASN A 30 7.353 -8.522 5.456 1.00 0.65 N ATOM 135 CA ASN A 30 8.076 -8.727 6.695 1.00 0.69 C ATOM 136 C ASN A 30 9.572 -8.733 6.412 1.00 0.68 C ATOM 137 O ASN A 30 10.265 -9.741 6.540 1.00 0.75 O ATOM 138 CB ASN A 30 7.627 -10.027 7.401 1.00 0.81 C ATOM 139 CG ASN A 30 7.951 -11.326 6.657 1.00 1.55 C ATOM 140 OD1 ASN A 30 8.226 -12.348 7.286 1.00 2.33 O ATOM 141 ND2 ASN A 30 7.907 -11.317 5.333 1.00 2.23 N ATOM 0 H ASN A 30 7.695 -9.064 4.662 1.00 0.65 H new ATOM 0 HA ASN A 30 7.851 -7.907 7.376 1.00 0.69 H new ATOM 0 HB2 ASN A 30 8.095 -10.066 8.385 1.00 0.81 H new ATOM 0 HB3 ASN A 30 6.550 -9.979 7.562 1.00 0.81 H new ATOM 0 HD21 ASN A 30 8.104 -12.171 4.810 1.00 2.23 H new ATOM 0 HD22 ASN A 30 7.676 -10.456 4.836 1.00 2.23 H new ATOM 148 N ASP A 31 10.056 -7.563 6.043 1.00 0.63 N ATOM 149 CA ASP A 31 11.475 -7.318 5.886 1.00 0.64 C ATOM 150 C ASP A 31 11.903 -6.256 6.882 1.00 0.65 C ATOM 151 O ASP A 31 11.156 -5.311 7.129 1.00 0.78 O ATOM 152 CB ASP A 31 11.783 -6.875 4.457 1.00 0.67 C ATOM 153 CG ASP A 31 13.269 -6.830 4.174 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.828 -7.865 3.757 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.883 -5.762 4.367 1.00 1.13 O ATOM 0 H ASP A 31 9.472 -6.751 5.843 1.00 0.63 H new ATOM 0 HA ASP A 31 12.030 -8.236 6.077 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.303 -7.558 3.756 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.353 -5.888 4.285 1.00 0.67 H new ATOM 160 N LYS A 32 13.090 -6.387 7.446 1.00 0.69 N ATOM 161 CA LYS A 32 13.560 -5.405 8.413 1.00 0.77 C ATOM 162 C LYS A 32 13.853 -4.075 7.727 1.00 0.71 C ATOM 163 O LYS A 32 13.502 -3.009 8.238 1.00 0.77 O ATOM 164 CB LYS A 32 14.810 -5.905 9.144 1.00 0.97 C ATOM 165 CG LYS A 32 14.588 -7.138 10.018 1.00 1.52 C ATOM 166 CD LYS A 32 13.531 -6.906 11.092 1.00 2.06 C ATOM 167 CE LYS A 32 12.161 -7.414 10.664 1.00 2.28 C ATOM 168 NZ LYS A 32 12.149 -8.890 10.470 1.00 3.05 N ATOM 0 H LYS A 32 13.739 -7.150 7.257 1.00 0.69 H new ATOM 0 HA LYS A 32 12.769 -5.257 9.148 1.00 0.77 H new ATOM 0 HB2 LYS A 32 15.579 -6.133 8.406 1.00 0.97 H new ATOM 0 HB3 LYS A 32 15.196 -5.099 9.768 1.00 0.97 H new ATOM 0 HG2 LYS A 32 14.286 -7.976 9.390 1.00 1.52 H new ATOM 0 HG3 LYS A 32 15.529 -7.418 10.492 1.00 1.52 H new ATOM 0 HD2 LYS A 32 13.832 -7.408 12.012 1.00 2.06 H new ATOM 0 HD3 LYS A 32 13.469 -5.841 11.315 1.00 2.06 H new ATOM 0 HE2 LYS A 32 11.422 -7.141 11.417 1.00 2.28 H new ATOM 0 HE3 LYS A 32 11.866 -6.924 9.736 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 11.182 -9.249 10.600 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 12.477 -9.117 9.509 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 12.780 -9.337 11.165 1.00 3.05 H new ATOM 182 N LYS A 33 14.454 -4.144 6.548 1.00 0.71 N ATOM 183 CA LYS A 33 14.890 -2.949 5.841 1.00 0.75 C ATOM 184 C LYS A 33 13.735 -2.324 5.070 1.00 0.64 C ATOM 185 O LYS A 33 13.511 -1.117 5.148 1.00 0.63 O ATOM 186 CB LYS A 33 16.030 -3.286 4.877 1.00 0.94 C ATOM 187 CG LYS A 33 17.213 -3.980 5.534 1.00 1.55 C ATOM 188 CD LYS A 33 17.871 -3.103 6.587 1.00 2.09 C ATOM 189 CE LYS A 33 19.093 -3.777 7.191 1.00 2.72 C ATOM 190 NZ LYS A 33 20.148 -4.041 6.175 1.00 3.16 N ATOM 0 H LYS A 33 14.651 -5.018 6.060 1.00 0.71 H new ATOM 0 HA LYS A 33 15.246 -2.232 6.580 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.643 -3.924 4.083 1.00 0.94 H new ATOM 0 HB3 LYS A 33 16.377 -2.366 4.406 1.00 0.94 H new ATOM 0 HG2 LYS A 33 16.879 -4.910 5.993 1.00 1.55 H new ATOM 0 HG3 LYS A 33 17.947 -4.246 4.773 1.00 1.55 H new ATOM 0 HD2 LYS A 33 18.162 -2.153 6.140 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.152 -2.877 7.375 1.00 2.09 H new ATOM 0 HE2 LYS A 33 19.501 -3.146 7.981 1.00 2.72 H new ATOM 0 HE3 LYS A 33 18.795 -4.717 7.656 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 21.040 -4.277 6.654 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 19.858 -4.837 5.572 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 20.284 -3.194 5.587 1.00 3.16 H new ATOM 204 N LEU A 34 12.997 -3.159 4.342 1.00 0.62 N ATOM 205 CA LEU A 34 11.924 -2.687 3.467 1.00 0.61 C ATOM 206 C LEU A 34 10.909 -1.862 4.259 1.00 0.54 C ATOM 207 O LEU A 34 10.541 -0.763 3.847 1.00 0.61 O ATOM 208 CB LEU A 34 11.239 -3.892 2.788 1.00 0.66 C ATOM 209 CG LEU A 34 10.504 -3.638 1.449 1.00 0.80 C ATOM 210 CD1 LEU A 34 9.957 -4.944 0.894 1.00 1.22 C ATOM 211 CD2 LEU A 34 9.370 -2.639 1.614 1.00 1.59 C ATOM 0 H LEU A 34 13.123 -4.171 4.340 1.00 0.62 H new ATOM 0 HA LEU A 34 12.350 -2.045 2.697 1.00 0.61 H new ATOM 0 HB2 LEU A 34 11.997 -4.656 2.615 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.520 -4.310 3.492 1.00 0.66 H new ATOM 0 HG LEU A 34 11.228 -3.218 0.751 1.00 0.80 H new ATOM 0 HD11 LEU A 34 9.442 -4.752 -0.048 1.00 1.22 H new ATOM 0 HD12 LEU A 34 10.779 -5.639 0.723 1.00 1.22 H new ATOM 0 HD13 LEU A 34 9.257 -5.378 1.608 1.00 1.22 H new ATOM 0 HD21 LEU A 34 8.877 -2.486 0.654 1.00 1.59 H new ATOM 0 HD22 LEU A 34 8.648 -3.023 2.335 1.00 1.59 H new ATOM 0 HD23 LEU A 34 9.770 -1.690 1.972 1.00 1.59 H new ATOM 223 N ILE A 35 10.477 -2.383 5.404 1.00 0.48 N ATOM 224 CA ILE A 35 9.487 -1.696 6.229 1.00 0.49 C ATOM 225 C ILE A 35 10.006 -0.330 6.688 1.00 0.48 C ATOM 226 O ILE A 35 9.271 0.658 6.665 1.00 0.53 O ATOM 227 CB ILE A 35 9.073 -2.550 7.452 1.00 0.55 C ATOM 228 CG1 ILE A 35 8.350 -3.824 6.992 1.00 0.61 C ATOM 229 CG2 ILE A 35 8.188 -1.747 8.402 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.988 -4.764 8.125 1.00 1.01 C ATOM 0 H ILE A 35 10.795 -3.276 5.781 1.00 0.48 H new ATOM 0 HA ILE A 35 8.603 -1.542 5.610 1.00 0.49 H new ATOM 0 HB ILE A 35 9.976 -2.836 7.991 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.441 -3.543 6.461 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.984 -4.354 6.281 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.910 -2.369 9.253 1.00 0.64 H new ATOM 0 HG22 ILE A 35 8.733 -0.871 8.755 1.00 0.64 H new ATOM 0 HG23 ILE A 35 7.288 -1.427 7.877 1.00 0.64 H new ATOM 0 HD11 ILE A 35 7.480 -5.641 7.722 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.895 -5.076 8.643 1.00 1.01 H new ATOM 0 HD13 ILE A 35 7.328 -4.252 8.825 1.00 1.01 H new ATOM 242 N GLU A 36 11.278 -0.270 7.079 1.00 0.50 N ATOM 243 CA GLU A 36 11.885 0.994 7.491 1.00 0.53 C ATOM 244 C GLU A 36 11.947 1.971 6.324 1.00 0.48 C ATOM 245 O GLU A 36 11.490 3.114 6.424 1.00 0.51 O ATOM 246 CB GLU A 36 13.298 0.768 8.034 1.00 0.66 C ATOM 247 CG GLU A 36 13.343 -0.064 9.301 1.00 1.22 C ATOM 248 CD GLU A 36 12.524 0.540 10.419 1.00 1.73 C ATOM 249 OE1 GLU A 36 12.993 1.516 11.051 1.00 2.62 O ATOM 250 OE2 GLU A 36 11.405 0.046 10.670 1.00 2.01 O ATOM 0 H GLU A 36 11.904 -1.075 7.119 1.00 0.50 H new ATOM 0 HA GLU A 36 11.261 1.416 8.279 1.00 0.53 H new ATOM 0 HB2 GLU A 36 13.897 0.277 7.267 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.761 1.735 8.230 1.00 0.66 H new ATOM 0 HG2 GLU A 36 12.975 -1.067 9.086 1.00 1.22 H new ATOM 0 HG3 GLU A 36 14.378 -0.167 9.628 1.00 1.22 H new ATOM 257 N GLU A 37 12.503 1.500 5.215 1.00 0.48 N ATOM 258 CA GLU A 37 12.701 2.326 4.032 1.00 0.51 C ATOM 259 C GLU A 37 11.376 2.854 3.491 1.00 0.44 C ATOM 260 O GLU A 37 11.264 4.031 3.150 1.00 0.48 O ATOM 261 CB GLU A 37 13.421 1.524 2.948 1.00 0.65 C ATOM 262 CG GLU A 37 14.798 1.029 3.364 1.00 0.80 C ATOM 263 CD GLU A 37 15.737 2.152 3.755 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.942 2.367 4.967 1.00 1.61 O ATOM 265 OE2 GLU A 37 16.280 2.819 2.853 1.00 1.55 O ATOM 0 H GLU A 37 12.828 0.539 5.111 1.00 0.48 H new ATOM 0 HA GLU A 37 13.313 3.181 4.320 1.00 0.51 H new ATOM 0 HB2 GLU A 37 12.805 0.668 2.673 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.522 2.144 2.057 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.693 0.342 4.203 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.238 0.464 2.543 1.00 0.80 H new ATOM 272 N ALA A 38 10.375 1.985 3.420 1.00 0.40 N ATOM 273 CA ALA A 38 9.066 2.364 2.897 1.00 0.42 C ATOM 274 C ALA A 38 8.405 3.421 3.774 1.00 0.39 C ATOM 275 O ALA A 38 7.798 4.364 3.268 1.00 0.42 O ATOM 276 CB ALA A 38 8.168 1.142 2.777 1.00 0.50 C ATOM 0 H ALA A 38 10.444 1.012 3.718 1.00 0.40 H new ATOM 0 HA ALA A 38 9.214 2.793 1.906 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.196 1.442 2.386 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.625 0.420 2.100 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.039 0.687 3.759 1.00 0.50 H new ATOM 282 N ARG A 39 8.544 3.268 5.087 1.00 0.41 N ATOM 283 CA ARG A 39 7.918 4.177 6.039 1.00 0.50 C ATOM 284 C ARG A 39 8.481 5.590 5.902 1.00 0.46 C ATOM 285 O ARG A 39 7.730 6.558 5.776 1.00 0.52 O ATOM 286 CB ARG A 39 8.124 3.673 7.468 1.00 0.62 C ATOM 287 CG ARG A 39 7.316 4.432 8.510 1.00 1.18 C ATOM 288 CD ARG A 39 7.610 3.926 9.911 1.00 1.43 C ATOM 289 NE ARG A 39 9.002 4.167 10.291 1.00 1.88 N ATOM 290 CZ ARG A 39 9.897 3.206 10.509 1.00 2.58 C ATOM 291 NH1 ARG A 39 9.555 1.930 10.400 1.00 2.84 N ATOM 292 NH2 ARG A 39 11.140 3.521 10.846 1.00 3.48 N ATOM 0 H ARG A 39 9.087 2.519 5.517 1.00 0.41 H new ATOM 0 HA ARG A 39 6.851 4.209 5.820 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.857 2.617 7.513 1.00 0.62 H new ATOM 0 HB3 ARG A 39 9.182 3.745 7.720 1.00 0.62 H new ATOM 0 HG2 ARG A 39 7.547 5.495 8.449 1.00 1.18 H new ATOM 0 HG3 ARG A 39 6.252 4.324 8.298 1.00 1.18 H new ATOM 0 HD2 ARG A 39 6.948 4.419 10.623 1.00 1.43 H new ATOM 0 HD3 ARG A 39 7.398 2.858 9.965 1.00 1.43 H new ATOM 0 HE ARG A 39 9.307 5.135 10.396 1.00 1.88 H new ATOM 0 HH11 ARG A 39 8.600 1.678 10.147 1.00 2.84 H new ATOM 0 HH12 ARG A 39 10.247 1.200 10.569 1.00 2.84 H new ATOM 0 HH21 ARG A 39 11.411 4.500 10.938 1.00 3.48 H new ATOM 0 HH22 ARG A 39 11.825 2.784 11.013 1.00 3.48 H new ATOM 306 N LYS A 40 9.806 5.701 5.909 1.00 0.45 N ATOM 307 CA LYS A 40 10.458 7.004 5.841 1.00 0.49 C ATOM 308 C LYS A 40 10.298 7.628 4.458 1.00 0.42 C ATOM 309 O LYS A 40 10.293 8.851 4.315 1.00 0.47 O ATOM 310 CB LYS A 40 11.943 6.890 6.206 1.00 0.62 C ATOM 311 CG LYS A 40 12.742 5.987 5.279 1.00 1.06 C ATOM 312 CD LYS A 40 14.200 5.883 5.706 1.00 1.58 C ATOM 313 CE LYS A 40 14.907 7.228 5.640 1.00 2.12 C ATOM 314 NZ LYS A 40 16.337 7.123 6.034 1.00 2.95 N ATOM 0 H LYS A 40 10.446 4.909 5.961 1.00 0.45 H new ATOM 0 HA LYS A 40 9.972 7.656 6.567 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.386 7.886 6.197 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.028 6.513 7.225 1.00 0.62 H new ATOM 0 HG2 LYS A 40 12.295 4.993 5.267 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.688 6.373 4.261 1.00 1.06 H new ATOM 0 HD2 LYS A 40 14.254 5.494 6.723 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.716 5.169 5.064 1.00 1.58 H new ATOM 0 HE2 LYS A 40 14.838 7.625 4.627 1.00 2.12 H new ATOM 0 HE3 LYS A 40 14.401 7.937 6.296 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 16.783 8.061 5.976 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 16.403 6.768 7.009 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 16.826 6.466 5.393 1.00 2.95 H new ATOM 328 N MET A 41 10.161 6.788 3.439 1.00 0.39 N ATOM 329 CA MET A 41 9.985 7.274 2.079 1.00 0.41 C ATOM 330 C MET A 41 8.564 7.783 1.882 1.00 0.42 C ATOM 331 O MET A 41 8.339 8.794 1.216 1.00 0.52 O ATOM 332 CB MET A 41 10.282 6.173 1.065 1.00 0.48 C ATOM 333 CG MET A 41 10.375 6.682 -0.362 1.00 0.69 C ATOM 334 SD MET A 41 11.761 7.811 -0.597 1.00 1.10 S ATOM 335 CE MET A 41 11.592 8.186 -2.338 1.00 1.55 C ATOM 0 H MET A 41 10.168 5.772 3.529 1.00 0.39 H new ATOM 0 HA MET A 41 10.687 8.093 1.919 1.00 0.41 H new ATOM 0 HB2 MET A 41 11.220 5.686 1.332 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.501 5.415 1.123 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.479 5.836 -1.041 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.447 7.190 -0.626 1.00 0.69 H new ATOM 0 HE1 MET A 41 12.577 8.362 -2.770 1.00 1.55 H new ATOM 0 HE2 MET A 41 11.117 7.347 -2.847 1.00 1.55 H new ATOM 0 HE3 MET A 41 10.978 9.078 -2.460 1.00 1.55 H new ATOM 345 N ALA A 42 7.607 7.075 2.470 1.00 0.40 N ATOM 346 CA ALA A 42 6.213 7.482 2.422 1.00 0.49 C ATOM 347 C ALA A 42 6.034 8.854 3.054 1.00 0.51 C ATOM 348 O ALA A 42 5.390 9.729 2.487 1.00 0.59 O ATOM 349 CB ALA A 42 5.338 6.453 3.122 1.00 0.58 C ATOM 0 H ALA A 42 7.775 6.212 2.987 1.00 0.40 H new ATOM 0 HA ALA A 42 5.907 7.545 1.378 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.296 6.771 3.078 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.444 5.488 2.626 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.646 6.362 4.164 1.00 0.58 H new ATOM 355 N GLU A 43 6.636 9.046 4.219 1.00 0.50 N ATOM 356 CA GLU A 43 6.530 10.313 4.928 1.00 0.60 C ATOM 357 C GLU A 43 7.156 11.441 4.107 1.00 0.62 C ATOM 358 O GLU A 43 6.695 12.582 4.143 1.00 0.73 O ATOM 359 CB GLU A 43 7.213 10.209 6.293 1.00 0.67 C ATOM 360 CG GLU A 43 6.894 11.367 7.223 1.00 0.97 C ATOM 361 CD GLU A 43 5.422 11.444 7.569 1.00 1.62 C ATOM 362 OE1 GLU A 43 4.706 12.273 6.970 1.00 2.16 O ATOM 363 OE2 GLU A 43 4.973 10.679 8.445 1.00 2.38 O ATOM 0 H GLU A 43 7.202 8.342 4.693 1.00 0.50 H new ATOM 0 HA GLU A 43 5.475 10.541 5.078 1.00 0.60 H new ATOM 0 HB2 GLU A 43 6.911 9.277 6.771 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.292 10.158 6.147 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.474 11.263 8.140 1.00 0.97 H new ATOM 0 HG3 GLU A 43 7.203 12.301 6.754 1.00 0.97 H new ATOM 370 N LYS A 44 8.192 11.100 3.347 1.00 0.58 N ATOM 371 CA LYS A 44 8.913 12.061 2.526 1.00 0.66 C ATOM 372 C LYS A 44 7.996 12.738 1.505 1.00 0.66 C ATOM 373 O LYS A 44 8.046 13.955 1.326 1.00 0.70 O ATOM 374 CB LYS A 44 10.060 11.347 1.812 1.00 0.76 C ATOM 375 CG LYS A 44 10.961 12.270 1.019 1.00 1.29 C ATOM 376 CD LYS A 44 12.114 11.510 0.393 1.00 1.69 C ATOM 377 CE LYS A 44 13.098 12.462 -0.255 1.00 2.09 C ATOM 378 NZ LYS A 44 14.302 11.760 -0.768 1.00 2.20 N ATOM 0 H LYS A 44 8.554 10.148 3.284 1.00 0.58 H new ATOM 0 HA LYS A 44 9.306 12.843 3.176 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.660 10.817 2.551 1.00 0.76 H new ATOM 0 HB3 LYS A 44 9.645 10.596 1.140 1.00 0.76 H new ATOM 0 HG2 LYS A 44 10.382 12.765 0.239 1.00 1.29 H new ATOM 0 HG3 LYS A 44 11.350 13.052 1.672 1.00 1.29 H new ATOM 0 HD2 LYS A 44 12.622 10.918 1.155 1.00 1.69 H new ATOM 0 HD3 LYS A 44 11.733 10.811 -0.352 1.00 1.69 H new ATOM 0 HE2 LYS A 44 12.608 12.986 -1.075 1.00 2.09 H new ATOM 0 HE3 LYS A 44 13.401 13.218 0.470 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 14.947 12.450 -1.203 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 14.786 11.281 0.018 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 14.017 11.057 -1.479 1.00 2.20 H new ATOM 392 N ALA A 45 7.157 11.955 0.842 1.00 0.67 N ATOM 393 CA ALA A 45 6.282 12.491 -0.198 1.00 0.74 C ATOM 394 C ALA A 45 4.841 12.621 0.296 1.00 0.73 C ATOM 395 O ALA A 45 3.908 12.771 -0.497 1.00 0.81 O ATOM 396 CB ALA A 45 6.357 11.627 -1.447 1.00 0.82 C ATOM 0 H ALA A 45 7.062 10.952 1.002 1.00 0.67 H new ATOM 0 HA ALA A 45 6.629 13.493 -0.450 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.700 12.038 -2.214 1.00 0.82 H new ATOM 0 HB2 ALA A 45 7.382 11.611 -1.818 1.00 0.82 H new ATOM 0 HB3 ALA A 45 6.043 10.611 -1.206 1.00 0.82 H new ATOM 402 N ASN A 46 4.679 12.542 1.616 1.00 0.69 N ATOM 403 CA ASN A 46 3.394 12.783 2.284 1.00 0.72 C ATOM 404 C ASN A 46 2.407 11.655 2.018 1.00 0.67 C ATOM 405 O ASN A 46 1.273 11.883 1.594 1.00 0.84 O ATOM 406 CB ASN A 46 2.780 14.129 1.868 1.00 0.87 C ATOM 407 CG ASN A 46 3.511 15.320 2.456 1.00 1.46 C ATOM 408 OD1 ASN A 46 3.234 15.739 3.581 1.00 2.13 O ATOM 409 ND2 ASN A 46 4.431 15.891 1.695 1.00 2.13 N ATOM 0 H ASN A 46 5.437 12.308 2.258 1.00 0.69 H new ATOM 0 HA ASN A 46 3.599 12.818 3.354 1.00 0.72 H new ATOM 0 HB2 ASN A 46 2.788 14.205 0.781 1.00 0.87 H new ATOM 0 HB3 ASN A 46 1.737 14.159 2.182 1.00 0.87 H new ATOM 0 HD21 ASN A 46 4.939 16.708 2.035 1.00 2.13 H new ATOM 0 HD22 ASN A 46 4.632 15.514 0.769 1.00 2.13 H new ATOM 416 N LEU A 47 2.847 10.438 2.276 1.00 0.51 N ATOM 417 CA LEU A 47 2.002 9.266 2.126 1.00 0.51 C ATOM 418 C LEU A 47 1.647 8.681 3.482 1.00 0.46 C ATOM 419 O LEU A 47 2.302 8.962 4.489 1.00 0.56 O ATOM 420 CB LEU A 47 2.696 8.182 1.292 1.00 0.58 C ATOM 421 CG LEU A 47 2.847 8.454 -0.207 1.00 0.69 C ATOM 422 CD1 LEU A 47 1.529 8.903 -0.813 1.00 1.00 C ATOM 423 CD2 LEU A 47 3.935 9.467 -0.480 1.00 1.18 C ATOM 0 H LEU A 47 3.794 10.233 2.594 1.00 0.51 H new ATOM 0 HA LEU A 47 1.096 9.589 1.614 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.690 8.017 1.709 1.00 0.58 H new ATOM 0 HB3 LEU A 47 2.141 7.252 1.414 1.00 0.58 H new ATOM 0 HG LEU A 47 3.140 7.518 -0.682 1.00 0.69 H new ATOM 0 HD11 LEU A 47 1.663 9.090 -1.878 1.00 1.00 H new ATOM 0 HD12 LEU A 47 0.780 8.124 -0.673 1.00 1.00 H new ATOM 0 HD13 LEU A 47 1.196 9.818 -0.323 1.00 1.00 H new ATOM 0 HD21 LEU A 47 4.014 9.635 -1.554 1.00 1.18 H new ATOM 0 HD22 LEU A 47 3.691 10.406 0.018 1.00 1.18 H new ATOM 0 HD23 LEU A 47 4.885 9.091 -0.101 1.00 1.18 H new ATOM 435 N TYR A 48 0.603 7.873 3.494 1.00 0.49 N ATOM 436 CA TYR A 48 0.227 7.112 4.670 1.00 0.54 C ATOM 437 C TYR A 48 0.238 5.635 4.309 1.00 0.46 C ATOM 438 O TYR A 48 -0.536 5.207 3.456 1.00 0.58 O ATOM 439 CB TYR A 48 -1.172 7.512 5.158 1.00 0.64 C ATOM 440 CG TYR A 48 -1.340 8.993 5.415 1.00 0.77 C ATOM 441 CD1 TYR A 48 -1.010 9.547 6.644 1.00 1.51 C ATOM 442 CD2 TYR A 48 -1.841 9.835 4.431 1.00 1.31 C ATOM 443 CE1 TYR A 48 -1.170 10.898 6.883 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.003 11.186 4.662 1.00 1.43 C ATOM 445 CZ TYR A 48 -1.668 11.714 5.890 1.00 1.09 C ATOM 446 OH TYR A 48 -1.826 13.061 6.122 1.00 1.28 O ATOM 0 H TYR A 48 -0.007 7.726 2.690 1.00 0.49 H new ATOM 0 HA TYR A 48 0.936 7.316 5.472 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -1.907 7.198 4.416 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -1.393 6.968 6.076 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -0.622 8.911 7.426 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.109 9.426 3.468 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -0.906 11.313 7.844 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -2.391 11.827 3.884 1.00 1.43 H new ATOM 0 HH TYR A 48 -2.187 13.491 5.319 1.00 1.28 H new ATOM 456 N LEU A 49 1.131 4.866 4.914 1.00 0.46 N ATOM 457 CA LEU A 49 1.209 3.446 4.601 1.00 0.46 C ATOM 458 C LEU A 49 0.612 2.611 5.718 1.00 0.50 C ATOM 459 O LEU A 49 1.020 2.694 6.878 1.00 0.61 O ATOM 460 CB LEU A 49 2.649 2.995 4.288 1.00 0.66 C ATOM 461 CG LEU A 49 3.590 2.800 5.486 1.00 0.81 C ATOM 462 CD1 LEU A 49 4.815 2.010 5.059 1.00 1.76 C ATOM 463 CD2 LEU A 49 4.015 4.135 6.074 1.00 1.35 C ATOM 0 H LEU A 49 1.800 5.192 5.611 1.00 0.46 H new ATOM 0 HA LEU A 49 0.621 3.286 3.697 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.599 2.055 3.739 1.00 0.66 H new ATOM 0 HB3 LEU A 49 3.098 3.730 3.620 1.00 0.66 H new ATOM 0 HG LEU A 49 3.050 2.247 6.254 1.00 0.81 H new ATOM 0 HD11 LEU A 49 5.478 1.876 5.914 1.00 1.76 H new ATOM 0 HD12 LEU A 49 4.506 1.035 4.683 1.00 1.76 H new ATOM 0 HD13 LEU A 49 5.342 2.552 4.273 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.681 3.965 6.920 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.536 4.718 5.314 1.00 1.35 H new ATOM 0 HD23 LEU A 49 3.134 4.682 6.410 1.00 1.35 H new ATOM 475 N LEU A 50 -0.380 1.824 5.353 1.00 0.52 N ATOM 476 CA LEU A 50 -1.056 0.950 6.291 1.00 0.63 C ATOM 477 C LEU A 50 -0.695 -0.496 6.007 1.00 0.69 C ATOM 478 O LEU A 50 -0.504 -0.883 4.854 1.00 0.69 O ATOM 479 CB LEU A 50 -2.569 1.134 6.186 1.00 0.77 C ATOM 480 CG LEU A 50 -3.072 2.554 6.434 1.00 0.81 C ATOM 481 CD1 LEU A 50 -4.569 2.633 6.195 1.00 1.24 C ATOM 482 CD2 LEU A 50 -2.727 3.000 7.847 1.00 1.48 C ATOM 0 H LEU A 50 -0.740 1.772 4.400 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.736 1.207 7.301 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.888 0.821 5.192 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -3.050 0.466 6.900 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.577 3.227 5.733 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -4.913 3.651 6.376 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -4.788 2.353 5.165 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -5.082 1.951 6.873 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -3.092 4.014 8.008 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -3.195 2.327 8.565 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -1.646 2.978 7.982 1.00 1.48 H new ATOM 494 N THR A 51 -0.589 -1.284 7.057 1.00 0.85 N ATOM 495 CA THR A 51 -0.384 -2.712 6.907 1.00 1.00 C ATOM 496 C THR A 51 -1.747 -3.379 6.822 1.00 1.38 C ATOM 497 O THR A 51 -2.719 -2.881 7.395 1.00 2.04 O ATOM 498 CB THR A 51 0.419 -3.293 8.088 1.00 1.42 C ATOM 499 OG1 THR A 51 1.526 -2.430 8.389 1.00 1.86 O ATOM 500 CG2 THR A 51 0.941 -4.684 7.759 1.00 2.07 C ATOM 0 H THR A 51 -0.641 -0.961 8.023 1.00 0.85 H new ATOM 0 HA THR A 51 0.192 -2.900 6.001 1.00 1.00 H new ATOM 0 HB THR A 51 -0.244 -3.364 8.951 1.00 1.42 H new ATOM 0 HG1 THR A 51 2.034 -2.800 9.141 1.00 1.86 H new ATOM 0 HG21 THR A 51 1.504 -5.072 8.608 1.00 2.07 H new ATOM 0 HG22 THR A 51 0.102 -5.347 7.547 1.00 2.07 H new ATOM 0 HG23 THR A 51 1.592 -4.631 6.886 1.00 2.07 H new ATOM 508 N LEU A 52 -1.838 -4.490 6.113 1.00 1.17 N ATOM 509 CA LEU A 52 -3.128 -5.104 5.882 1.00 1.66 C ATOM 510 C LEU A 52 -3.430 -6.134 6.958 1.00 1.10 C ATOM 511 O LEU A 52 -2.877 -7.235 6.961 1.00 1.25 O ATOM 512 CB LEU A 52 -3.151 -5.757 4.499 1.00 2.63 C ATOM 513 CG LEU A 52 -2.917 -4.797 3.330 1.00 2.95 C ATOM 514 CD1 LEU A 52 -2.785 -5.563 2.025 1.00 3.41 C ATOM 515 CD2 LEU A 52 -4.047 -3.783 3.241 1.00 3.43 C ATOM 0 H LEU A 52 -1.046 -4.977 5.694 1.00 1.17 H new ATOM 0 HA LEU A 52 -3.897 -4.332 5.923 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -2.390 -6.536 4.468 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -4.115 -6.247 4.361 1.00 2.63 H new ATOM 0 HG LEU A 52 -1.984 -4.261 3.507 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -2.619 -4.862 1.207 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -1.942 -6.251 2.090 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -3.699 -6.127 1.840 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -3.865 -3.108 2.405 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.992 -4.304 3.088 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -4.095 -3.209 4.167 1.00 3.43 H new ATOM 527 N GLU A 53 -4.326 -5.750 7.858 1.00 1.35 N ATOM 528 CA GLU A 53 -4.808 -6.608 8.930 1.00 1.60 C ATOM 529 C GLU A 53 -6.222 -6.172 9.287 1.00 1.84 C ATOM 530 O GLU A 53 -7.167 -6.953 9.192 1.00 2.34 O ATOM 531 CB GLU A 53 -3.904 -6.537 10.173 1.00 2.04 C ATOM 532 CG GLU A 53 -2.467 -6.969 9.918 1.00 2.24 C ATOM 533 CD GLU A 53 -1.647 -7.083 11.183 1.00 2.43 C ATOM 534 OE1 GLU A 53 -1.329 -6.040 11.788 1.00 2.97 O ATOM 535 OE2 GLU A 53 -1.303 -8.222 11.571 1.00 2.75 O ATOM 0 H GLU A 53 -4.744 -4.820 7.863 1.00 1.35 H new ATOM 0 HA GLU A 53 -4.797 -7.643 8.587 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -3.904 -5.515 10.552 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -4.329 -7.166 10.955 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -2.469 -7.931 9.406 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -1.992 -6.252 9.248 1.00 2.24 H new ATOM 542 N THR A 54 -6.353 -4.911 9.677 1.00 1.76 N ATOM 543 CA THR A 54 -7.655 -4.298 9.880 1.00 1.96 C ATOM 544 C THR A 54 -7.909 -3.272 8.781 1.00 1.44 C ATOM 545 O THR A 54 -7.275 -2.220 8.732 1.00 1.41 O ATOM 546 CB THR A 54 -7.763 -3.629 11.266 1.00 2.58 C ATOM 547 OG1 THR A 54 -6.609 -2.816 11.516 1.00 2.85 O ATOM 548 CG2 THR A 54 -7.899 -4.673 12.361 1.00 3.30 C ATOM 0 H THR A 54 -5.565 -4.290 9.860 1.00 1.76 H new ATOM 0 HA THR A 54 -8.410 -5.083 9.837 1.00 1.96 H new ATOM 0 HB THR A 54 -8.654 -3.001 11.270 1.00 2.58 H new ATOM 0 HG1 THR A 54 -6.459 -2.750 12.482 1.00 2.85 H new ATOM 0 HG21 THR A 54 -7.973 -4.177 13.329 1.00 3.30 H new ATOM 0 HG22 THR A 54 -8.796 -5.267 12.188 1.00 3.30 H new ATOM 0 HG23 THR A 54 -7.025 -5.324 12.353 1.00 3.30 H new ATOM 556 N ASP A 55 -8.830 -3.597 7.893 1.00 1.58 N ATOM 557 CA ASP A 55 -9.034 -2.800 6.683 1.00 1.57 C ATOM 558 C ASP A 55 -10.061 -1.700 6.889 1.00 1.40 C ATOM 559 O ASP A 55 -9.773 -0.522 6.687 1.00 1.25 O ATOM 560 CB ASP A 55 -9.487 -3.668 5.500 1.00 2.38 C ATOM 561 CG ASP A 55 -8.500 -4.754 5.131 1.00 3.04 C ATOM 562 OD1 ASP A 55 -7.715 -4.541 4.188 1.00 3.66 O ATOM 563 OD2 ASP A 55 -8.543 -5.844 5.742 1.00 3.51 O ATOM 0 H ASP A 55 -9.450 -4.403 7.980 1.00 1.58 H new ATOM 0 HA ASP A 55 -8.066 -2.351 6.459 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -10.445 -4.127 5.743 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -9.651 -3.028 4.633 1.00 2.38 H new ATOM 568 N ASP A 56 -11.246 -2.095 7.318 1.00 1.62 N ATOM 569 CA ASP A 56 -12.418 -1.218 7.250 1.00 1.72 C ATOM 570 C ASP A 56 -12.249 0.037 8.101 1.00 1.47 C ATOM 571 O ASP A 56 -12.385 1.154 7.605 1.00 1.48 O ATOM 572 CB ASP A 56 -13.690 -1.976 7.658 1.00 2.15 C ATOM 573 CG ASP A 56 -14.924 -1.101 7.642 1.00 2.43 C ATOM 574 OD1 ASP A 56 -15.401 -0.710 8.726 1.00 2.98 O ATOM 575 OD2 ASP A 56 -15.438 -0.819 6.539 1.00 2.88 O ATOM 0 H ASP A 56 -11.430 -3.015 7.718 1.00 1.62 H new ATOM 0 HA ASP A 56 -12.516 -0.897 6.213 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -13.838 -2.818 6.982 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -13.556 -2.390 8.658 1.00 2.15 H new ATOM 580 N LYS A 57 -11.932 -0.143 9.372 1.00 1.39 N ATOM 581 CA LYS A 57 -11.839 0.983 10.295 1.00 1.42 C ATOM 582 C LYS A 57 -10.585 1.826 10.037 1.00 1.20 C ATOM 583 O LYS A 57 -10.609 3.053 10.168 1.00 1.27 O ATOM 584 CB LYS A 57 -11.846 0.474 11.739 1.00 1.57 C ATOM 585 CG LYS A 57 -11.962 1.575 12.784 1.00 1.98 C ATOM 586 CD LYS A 57 -13.247 2.369 12.623 1.00 2.71 C ATOM 587 CE LYS A 57 -13.413 3.388 13.736 1.00 3.40 C ATOM 588 NZ LYS A 57 -14.653 4.189 13.575 1.00 4.03 N ATOM 0 H LYS A 57 -11.735 -1.052 9.790 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.705 1.624 10.131 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -12.677 -0.221 11.864 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -10.930 -0.089 11.919 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -11.928 1.136 13.781 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -11.107 2.246 12.702 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -13.243 2.878 11.659 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -14.099 1.689 12.621 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -13.435 2.875 14.697 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -12.550 4.054 13.750 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -14.728 4.873 14.355 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -14.622 4.699 12.669 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -15.479 3.557 13.588 1.00 4.03 H new ATOM 602 N LYS A 58 -9.504 1.170 9.644 1.00 1.07 N ATOM 603 CA LYS A 58 -8.209 1.832 9.519 1.00 1.04 C ATOM 604 C LYS A 58 -8.079 2.579 8.192 1.00 0.88 C ATOM 605 O LYS A 58 -7.725 3.758 8.165 1.00 0.87 O ATOM 606 CB LYS A 58 -7.091 0.794 9.657 1.00 1.18 C ATOM 607 CG LYS A 58 -5.690 1.384 9.678 1.00 1.64 C ATOM 608 CD LYS A 58 -4.632 0.306 9.885 1.00 2.25 C ATOM 609 CE LYS A 58 -4.346 0.046 11.362 1.00 2.61 C ATOM 610 NZ LYS A 58 -5.549 -0.401 12.115 1.00 2.99 N ATOM 0 H LYS A 58 -9.495 0.178 9.405 1.00 1.07 H new ATOM 0 HA LYS A 58 -8.126 2.571 10.316 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -7.248 0.228 10.575 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -7.163 0.087 8.830 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -5.500 1.906 8.740 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -5.618 2.124 10.475 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -4.963 -0.619 9.414 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -3.710 0.605 9.387 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -3.567 -0.712 11.448 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -3.956 0.957 11.817 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -5.257 -0.802 13.029 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -6.178 0.411 12.278 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -6.054 -1.125 11.565 1.00 2.99 H new ATOM 624 N ILE A 59 -8.379 1.893 7.097 1.00 0.83 N ATOM 625 CA ILE A 59 -8.188 2.451 5.763 1.00 0.80 C ATOM 626 C ILE A 59 -9.165 3.594 5.481 1.00 0.74 C ATOM 627 O ILE A 59 -8.769 4.640 4.959 1.00 0.78 O ATOM 628 CB ILE A 59 -8.318 1.351 4.683 1.00 0.90 C ATOM 629 CG1 ILE A 59 -7.168 0.346 4.816 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.334 1.955 3.282 1.00 0.96 C ATOM 631 CD1 ILE A 59 -7.369 -0.917 4.008 1.00 1.33 C ATOM 0 H ILE A 59 -8.757 0.946 7.106 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.179 2.861 5.725 1.00 0.80 H new ATOM 0 HB ILE A 59 -9.264 0.832 4.836 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.241 0.825 4.501 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -7.049 0.080 5.866 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -8.426 1.159 2.543 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.180 2.636 3.189 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.407 2.503 3.111 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -6.516 -1.580 4.151 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -8.279 -1.419 4.338 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.457 -0.663 2.952 1.00 1.33 H new ATOM 643 N GLU A 60 -10.433 3.409 5.842 1.00 0.77 N ATOM 644 CA GLU A 60 -11.442 4.440 5.607 1.00 0.87 C ATOM 645 C GLU A 60 -11.124 5.711 6.373 1.00 0.85 C ATOM 646 O GLU A 60 -11.322 6.810 5.859 1.00 0.94 O ATOM 647 CB GLU A 60 -12.838 3.973 6.001 1.00 1.04 C ATOM 648 CG GLU A 60 -13.424 2.910 5.095 1.00 1.32 C ATOM 649 CD GLU A 60 -14.932 2.843 5.210 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.451 2.777 6.345 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.611 2.861 4.161 1.00 2.01 O ATOM 0 H GLU A 60 -10.784 2.564 6.294 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.423 4.642 4.536 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.804 3.586 7.019 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -13.506 4.834 6.009 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -13.147 3.120 4.062 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -12.997 1.940 5.349 1.00 1.32 H new ATOM 658 N ASP A 61 -10.628 5.557 7.597 1.00 0.82 N ATOM 659 CA ASP A 61 -10.357 6.704 8.460 1.00 0.88 C ATOM 660 C ASP A 61 -9.407 7.684 7.785 1.00 0.79 C ATOM 661 O ASP A 61 -9.606 8.898 7.844 1.00 0.83 O ATOM 662 CB ASP A 61 -9.776 6.250 9.800 1.00 0.99 C ATOM 663 CG ASP A 61 -9.703 7.381 10.809 1.00 1.55 C ATOM 664 OD1 ASP A 61 -10.773 7.853 11.251 1.00 2.27 O ATOM 665 OD2 ASP A 61 -8.582 7.786 11.182 1.00 2.05 O ATOM 0 H ASP A 61 -10.406 4.653 8.013 1.00 0.82 H new ATOM 0 HA ASP A 61 -11.304 7.212 8.643 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -10.388 5.444 10.205 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -8.777 5.843 9.641 1.00 0.99 H new ATOM 670 N ILE A 62 -8.393 7.153 7.117 1.00 0.72 N ATOM 671 CA ILE A 62 -7.426 7.992 6.431 1.00 0.69 C ATOM 672 C ILE A 62 -7.992 8.531 5.120 1.00 0.68 C ATOM 673 O ILE A 62 -7.909 9.730 4.858 1.00 0.73 O ATOM 674 CB ILE A 62 -6.102 7.246 6.170 1.00 0.73 C ATOM 675 CG1 ILE A 62 -5.476 6.823 7.502 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.139 8.121 5.378 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.090 6.235 7.367 1.00 0.93 C ATOM 0 H ILE A 62 -8.221 6.151 7.037 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.215 8.833 7.091 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.310 6.355 5.578 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.430 7.689 8.162 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.126 6.091 7.982 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.211 7.576 5.204 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.590 8.384 4.421 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -4.926 9.030 5.941 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -3.714 5.960 8.352 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.131 5.349 6.734 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -3.424 6.972 6.917 1.00 0.93 H new ATOM 689 N LEU A 63 -8.591 7.660 4.308 1.00 0.68 N ATOM 690 CA LEU A 63 -9.149 8.084 3.021 1.00 0.76 C ATOM 691 C LEU A 63 -10.193 9.177 3.210 1.00 0.84 C ATOM 692 O LEU A 63 -10.231 10.153 2.459 1.00 0.94 O ATOM 693 CB LEU A 63 -9.779 6.908 2.268 1.00 0.85 C ATOM 694 CG LEU A 63 -8.797 5.857 1.729 1.00 1.23 C ATOM 695 CD1 LEU A 63 -9.537 4.636 1.187 1.00 1.57 C ATOM 696 CD2 LEU A 63 -7.921 6.456 0.640 1.00 1.89 C ATOM 0 H LEU A 63 -8.702 6.667 4.514 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.321 8.477 2.430 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -10.485 6.411 2.934 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.354 7.303 1.431 1.00 0.85 H new ATOM 0 HG LEU A 63 -8.166 5.536 2.558 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -8.815 3.910 0.813 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -10.126 4.184 1.985 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -10.198 4.942 0.376 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -7.231 5.698 0.270 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -8.548 6.807 -0.179 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -7.355 7.293 1.048 1.00 1.89 H new ATOM 708 N LYS A 64 -11.024 9.016 4.231 1.00 0.89 N ATOM 709 CA LYS A 64 -12.077 9.977 4.518 1.00 1.05 C ATOM 710 C LYS A 64 -11.483 11.294 5.014 1.00 1.03 C ATOM 711 O LYS A 64 -12.125 12.341 4.943 1.00 1.13 O ATOM 712 CB LYS A 64 -13.042 9.397 5.556 1.00 1.22 C ATOM 713 CG LYS A 64 -14.271 10.253 5.808 1.00 1.64 C ATOM 714 CD LYS A 64 -15.093 10.438 4.543 1.00 2.17 C ATOM 715 CE LYS A 64 -16.366 11.221 4.817 1.00 2.87 C ATOM 716 NZ LYS A 64 -17.266 10.504 5.758 1.00 3.41 N ATOM 0 H LYS A 64 -10.988 8.226 4.875 1.00 0.89 H new ATOM 0 HA LYS A 64 -12.628 10.179 3.599 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.362 8.409 5.226 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -12.508 9.261 6.497 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -14.887 9.789 6.578 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -13.965 11.227 6.189 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -14.498 10.960 3.794 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -15.346 9.463 4.126 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -16.110 12.196 5.231 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -16.891 11.401 3.879 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -18.218 10.920 5.713 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -17.314 9.499 5.495 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -16.896 10.591 6.726 1.00 3.41 H new ATOM 730 N SER A 65 -10.255 11.237 5.511 1.00 0.97 N ATOM 731 CA SER A 65 -9.569 12.431 5.977 1.00 1.06 C ATOM 732 C SER A 65 -8.970 13.214 4.808 1.00 1.03 C ATOM 733 O SER A 65 -8.908 14.442 4.850 1.00 1.13 O ATOM 734 CB SER A 65 -8.481 12.063 6.987 1.00 1.18 C ATOM 735 OG SER A 65 -9.043 11.485 8.154 1.00 1.65 O ATOM 0 H SER A 65 -9.715 10.376 5.601 1.00 0.97 H new ATOM 0 HA SER A 65 -10.302 13.070 6.470 1.00 1.06 H new ATOM 0 HB2 SER A 65 -7.780 11.363 6.532 1.00 1.18 H new ATOM 0 HB3 SER A 65 -7.913 12.954 7.256 1.00 1.18 H new ATOM 0 HG SER A 65 -9.408 10.601 7.938 1.00 1.65 H new ATOM 741 N LEU A 66 -8.538 12.505 3.765 1.00 0.97 N ATOM 742 CA LEU A 66 -7.951 13.159 2.594 1.00 1.05 C ATOM 743 C LEU A 66 -8.998 13.962 1.828 1.00 1.20 C ATOM 744 O LEU A 66 -8.730 15.086 1.395 1.00 1.55 O ATOM 745 CB LEU A 66 -7.304 12.140 1.645 1.00 1.00 C ATOM 746 CG LEU A 66 -5.833 11.778 1.911 1.00 1.09 C ATOM 747 CD1 LEU A 66 -4.956 13.021 1.931 1.00 1.72 C ATOM 748 CD2 LEU A 66 -5.682 10.996 3.204 1.00 1.38 C ATOM 0 H LEU A 66 -8.582 11.488 3.706 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.180 13.835 2.965 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -7.891 11.222 1.681 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.380 12.527 0.629 1.00 1.00 H new ATOM 0 HG LEU A 66 -5.501 11.141 1.091 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -3.922 12.734 2.121 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -5.021 13.527 0.968 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -5.296 13.694 2.718 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -4.631 10.756 3.363 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -6.047 11.597 4.037 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -6.260 10.074 3.141 1.00 1.38 H new ATOM 760 N GLY A 67 -10.187 13.393 1.675 1.00 1.07 N ATOM 761 CA GLY A 67 -11.261 14.084 0.984 1.00 1.26 C ATOM 762 C GLY A 67 -11.478 13.568 -0.427 1.00 1.22 C ATOM 763 O GLY A 67 -12.156 12.554 -0.611 1.00 1.28 O ATOM 0 H GLY A 67 -10.428 12.463 2.018 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.184 13.973 1.553 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -11.036 15.150 0.946 1.00 1.26 H new ATOM 767 N PRO A 68 -10.919 14.256 -1.447 1.00 1.24 N ATOM 768 CA PRO A 68 -11.026 13.846 -2.856 1.00 1.29 C ATOM 769 C PRO A 68 -10.652 12.381 -3.072 1.00 1.15 C ATOM 770 O PRO A 68 -9.845 11.830 -2.326 1.00 0.99 O ATOM 771 CB PRO A 68 -10.016 14.751 -3.563 1.00 1.41 C ATOM 772 CG PRO A 68 -9.942 15.969 -2.714 1.00 1.56 C ATOM 773 CD PRO A 68 -10.148 15.505 -1.300 1.00 1.35 C ATOM 0 HA PRO A 68 -12.047 13.939 -3.226 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -9.043 14.268 -3.648 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -10.341 14.993 -4.575 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -8.977 16.463 -2.825 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -10.705 16.692 -3.002 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -9.198 15.331 -0.794 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -10.692 16.244 -0.712 1.00 1.35 H new ATOM 781 N PRO A 69 -11.248 11.735 -4.095 1.00 1.30 N ATOM 782 CA PRO A 69 -10.982 10.327 -4.423 1.00 1.26 C ATOM 783 C PRO A 69 -9.491 10.018 -4.506 1.00 1.05 C ATOM 784 O PRO A 69 -8.809 10.421 -5.452 1.00 1.17 O ATOM 785 CB PRO A 69 -11.639 10.152 -5.790 1.00 1.53 C ATOM 786 CG PRO A 69 -12.734 11.158 -5.811 1.00 1.89 C ATOM 787 CD PRO A 69 -12.239 12.332 -5.011 1.00 1.58 C ATOM 0 HA PRO A 69 -11.368 9.653 -3.658 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -10.927 10.324 -6.597 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -12.027 9.141 -5.917 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -12.971 11.455 -6.833 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -13.647 10.749 -5.378 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -11.788 13.091 -5.650 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -13.049 12.815 -4.465 1.00 1.58 H new ATOM 795 N VAL A 70 -8.998 9.306 -3.506 1.00 0.85 N ATOM 796 CA VAL A 70 -7.583 8.996 -3.401 1.00 0.67 C ATOM 797 C VAL A 70 -7.266 7.670 -4.077 1.00 0.60 C ATOM 798 O VAL A 70 -8.011 6.699 -3.943 1.00 0.66 O ATOM 799 CB VAL A 70 -7.148 8.938 -1.920 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.684 8.555 -1.786 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.407 10.268 -1.239 1.00 1.08 C ATOM 0 H VAL A 70 -9.565 8.928 -2.747 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.031 9.789 -3.905 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.743 8.167 -1.430 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.411 8.524 -0.731 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.522 7.574 -2.232 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.067 9.293 -2.299 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.095 10.210 -0.196 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -6.842 11.051 -1.744 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.471 10.500 -1.287 1.00 1.08 H new ATOM 811 N LYS A 71 -6.167 7.643 -4.812 1.00 0.55 N ATOM 812 CA LYS A 71 -5.704 6.426 -5.452 1.00 0.54 C ATOM 813 C LYS A 71 -4.842 5.650 -4.474 1.00 0.43 C ATOM 814 O LYS A 71 -4.008 6.233 -3.782 1.00 0.41 O ATOM 815 CB LYS A 71 -4.901 6.759 -6.711 1.00 0.65 C ATOM 816 CG LYS A 71 -5.654 7.637 -7.691 1.00 1.27 C ATOM 817 CD LYS A 71 -4.838 7.889 -8.946 1.00 1.74 C ATOM 818 CE LYS A 71 -5.578 8.798 -9.909 1.00 2.14 C ATOM 819 NZ LYS A 71 -4.827 8.989 -11.175 1.00 2.53 N ATOM 0 H LYS A 71 -5.576 8.457 -4.980 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.563 5.821 -5.744 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -3.977 7.260 -6.422 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -4.618 5.831 -7.209 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -6.598 7.161 -7.958 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -5.899 8.587 -7.217 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -3.883 8.340 -8.677 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -4.616 6.940 -9.435 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -6.558 8.374 -10.128 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -5.748 9.766 -9.437 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -5.365 9.616 -11.807 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -3.902 9.417 -10.969 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -4.687 8.068 -11.638 1.00 2.53 H new ATOM 833 N ILE A 72 -5.049 4.351 -4.390 1.00 0.45 N ATOM 834 CA ILE A 72 -4.286 3.537 -3.463 1.00 0.43 C ATOM 835 C ILE A 72 -3.277 2.669 -4.198 1.00 0.41 C ATOM 836 O ILE A 72 -3.631 1.926 -5.110 1.00 0.50 O ATOM 837 CB ILE A 72 -5.204 2.634 -2.620 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.301 3.469 -1.955 1.00 0.68 C ATOM 839 CG2 ILE A 72 -4.391 1.883 -1.576 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.240 2.660 -1.092 1.00 1.00 C ATOM 0 H ILE A 72 -5.733 3.839 -4.947 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.758 4.224 -2.801 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.678 1.903 -3.275 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -5.836 4.243 -1.344 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -6.878 3.976 -2.728 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.053 1.248 -0.987 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -3.643 1.265 -2.073 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -3.894 2.597 -0.919 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -7.990 3.319 -0.654 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.733 1.903 -1.702 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.675 2.174 -0.296 1.00 1.00 H new ATOM 852 N LEU A 73 -2.021 2.780 -3.805 1.00 0.37 N ATOM 853 CA LEU A 73 -0.984 1.901 -4.310 1.00 0.37 C ATOM 854 C LEU A 73 -0.652 0.863 -3.246 1.00 0.37 C ATOM 855 O LEU A 73 -0.377 1.203 -2.092 1.00 0.46 O ATOM 856 CB LEU A 73 0.266 2.695 -4.709 1.00 0.43 C ATOM 857 CG LEU A 73 1.495 1.850 -5.045 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.369 1.230 -6.427 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.753 2.689 -4.947 1.00 1.22 C ATOM 0 H LEU A 73 -1.694 3.475 -3.134 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.346 1.397 -5.206 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.023 3.314 -5.573 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.522 3.372 -3.894 1.00 0.43 H new ATOM 0 HG LEU A 73 1.561 1.039 -4.320 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.256 0.634 -6.641 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.486 0.591 -6.460 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.274 2.019 -7.173 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.620 2.074 -5.189 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.691 3.521 -5.648 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.854 3.076 -3.933 1.00 1.22 H new ATOM 871 N VAL A 74 -0.705 -0.398 -3.630 1.00 0.40 N ATOM 872 CA VAL A 74 -0.500 -1.492 -2.695 1.00 0.40 C ATOM 873 C VAL A 74 0.820 -2.187 -2.992 1.00 0.39 C ATOM 874 O VAL A 74 1.122 -2.488 -4.146 1.00 0.47 O ATOM 875 CB VAL A 74 -1.656 -2.518 -2.769 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.497 -3.610 -1.717 1.00 1.30 C ATOM 877 CG2 VAL A 74 -3.003 -1.823 -2.618 1.00 1.16 C ATOM 0 H VAL A 74 -0.889 -0.693 -4.589 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.477 -1.075 -1.688 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.617 -2.991 -3.750 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.325 -4.314 -1.796 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.556 -4.136 -1.878 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.496 -3.161 -0.724 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -3.802 -2.562 -2.673 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -3.044 -1.315 -1.655 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -3.128 -1.094 -3.418 1.00 1.16 H new ATOM 887 N LEU A 75 1.597 -2.441 -1.953 1.00 0.38 N ATOM 888 CA LEU A 75 2.901 -3.065 -2.107 1.00 0.38 C ATOM 889 C LEU A 75 2.927 -4.385 -1.350 1.00 0.35 C ATOM 890 O LEU A 75 2.908 -4.409 -0.117 1.00 0.43 O ATOM 891 CB LEU A 75 4.035 -2.147 -1.608 1.00 0.48 C ATOM 892 CG LEU A 75 4.391 -0.928 -2.486 1.00 0.80 C ATOM 893 CD1 LEU A 75 4.235 -1.244 -3.966 1.00 1.67 C ATOM 894 CD2 LEU A 75 3.573 0.301 -2.111 1.00 1.65 C ATOM 0 H LEU A 75 1.346 -2.224 -0.989 1.00 0.38 H new ATOM 0 HA LEU A 75 3.067 -3.245 -3.169 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.764 -1.783 -0.617 1.00 0.48 H new ATOM 0 HB3 LEU A 75 4.933 -2.753 -1.490 1.00 0.48 H new ATOM 0 HG LEU A 75 5.439 -0.699 -2.296 1.00 0.80 H new ATOM 0 HD11 LEU A 75 4.494 -0.364 -4.555 1.00 1.67 H new ATOM 0 HD12 LEU A 75 4.897 -2.068 -4.234 1.00 1.67 H new ATOM 0 HD13 LEU A 75 3.203 -1.527 -4.171 1.00 1.67 H new ATOM 0 HD21 LEU A 75 3.855 1.136 -2.753 1.00 1.65 H new ATOM 0 HD22 LEU A 75 2.512 0.086 -2.241 1.00 1.65 H new ATOM 0 HD23 LEU A 75 3.765 0.563 -1.071 1.00 1.65 H new ATOM 906 N LEU A 76 2.948 -5.480 -2.089 1.00 0.34 N ATOM 907 CA LEU A 76 2.935 -6.801 -1.485 1.00 0.42 C ATOM 908 C LEU A 76 4.253 -7.517 -1.732 1.00 0.41 C ATOM 909 O LEU A 76 4.685 -7.659 -2.876 1.00 0.48 O ATOM 910 CB LEU A 76 1.777 -7.632 -2.044 1.00 0.55 C ATOM 911 CG LEU A 76 0.380 -7.044 -1.823 1.00 1.09 C ATOM 912 CD1 LEU A 76 -0.678 -7.940 -2.446 1.00 1.52 C ATOM 913 CD2 LEU A 76 0.103 -6.852 -0.338 1.00 1.76 C ATOM 0 H LEU A 76 2.974 -5.481 -3.109 1.00 0.34 H new ATOM 0 HA LEU A 76 2.799 -6.682 -0.410 1.00 0.42 H new ATOM 0 HB2 LEU A 76 1.931 -7.765 -3.115 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.811 -8.623 -1.591 1.00 0.55 H new ATOM 0 HG LEU A 76 0.341 -6.069 -2.308 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -1.665 -7.508 -2.280 1.00 1.52 H new ATOM 0 HD12 LEU A 76 -0.496 -8.028 -3.517 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.633 -8.928 -1.988 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.895 -6.433 -0.205 1.00 1.76 H new ATOM 0 HD22 LEU A 76 0.164 -7.814 0.171 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.842 -6.171 0.085 1.00 1.76 H new ATOM 925 N GLU A 77 4.891 -7.949 -0.656 1.00 0.46 N ATOM 926 CA GLU A 77 6.125 -8.714 -0.747 1.00 0.49 C ATOM 927 C GLU A 77 5.815 -10.134 -1.206 1.00 0.49 C ATOM 928 O GLU A 77 4.850 -10.737 -0.738 1.00 0.59 O ATOM 929 CB GLU A 77 6.821 -8.726 0.618 1.00 0.61 C ATOM 930 CG GLU A 77 8.002 -9.678 0.712 1.00 0.63 C ATOM 931 CD GLU A 77 8.699 -9.598 2.053 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.001 -9.547 3.089 1.00 1.71 O ATOM 933 OE2 GLU A 77 9.946 -9.588 2.075 1.00 1.74 O ATOM 0 H GLU A 77 4.572 -7.781 0.298 1.00 0.46 H new ATOM 0 HA GLU A 77 6.792 -8.252 -1.475 1.00 0.49 H new ATOM 0 HB2 GLU A 77 7.164 -7.717 0.846 1.00 0.61 H new ATOM 0 HB3 GLU A 77 6.091 -8.995 1.382 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.657 -10.698 0.544 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.715 -9.448 -0.080 1.00 0.63 H new ATOM 940 N ASP A 78 6.626 -10.662 -2.124 1.00 0.54 N ATOM 941 CA ASP A 78 6.381 -11.992 -2.680 1.00 0.61 C ATOM 942 C ASP A 78 6.540 -13.081 -1.626 1.00 0.63 C ATOM 943 O ASP A 78 7.620 -13.643 -1.448 1.00 0.72 O ATOM 944 CB ASP A 78 7.329 -12.290 -3.847 1.00 0.77 C ATOM 945 CG ASP A 78 6.960 -11.565 -5.123 1.00 1.06 C ATOM 946 OD1 ASP A 78 5.894 -11.870 -5.702 1.00 1.59 O ATOM 947 OD2 ASP A 78 7.755 -10.715 -5.577 1.00 1.85 O ATOM 0 H ASP A 78 7.452 -10.193 -2.495 1.00 0.54 H new ATOM 0 HA ASP A 78 5.352 -11.993 -3.039 1.00 0.61 H new ATOM 0 HB2 ASP A 78 8.344 -12.012 -3.561 1.00 0.77 H new ATOM 0 HB3 ASP A 78 7.334 -13.363 -4.036 1.00 0.77 H new ATOM 952 N THR A 79 5.462 -13.352 -0.916 1.00 0.61 N ATOM 953 CA THR A 79 5.397 -14.483 -0.017 1.00 0.72 C ATOM 954 C THR A 79 4.390 -15.497 -0.545 1.00 0.78 C ATOM 955 O THR A 79 3.914 -15.367 -1.677 1.00 0.84 O ATOM 956 CB THR A 79 5.006 -14.050 1.407 1.00 0.77 C ATOM 957 OG1 THR A 79 3.814 -13.262 1.363 1.00 1.04 O ATOM 958 CG2 THR A 79 6.124 -13.253 2.061 1.00 1.20 C ATOM 0 H THR A 79 4.609 -12.794 -0.947 1.00 0.61 H new ATOM 0 HA THR A 79 6.387 -14.936 0.032 1.00 0.72 H new ATOM 0 HB THR A 79 4.830 -14.947 2.001 1.00 0.77 H new ATOM 0 HG1 THR A 79 4.023 -12.338 1.613 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.822 -12.959 3.066 1.00 1.20 H new ATOM 0 HG22 THR A 79 7.023 -13.866 2.117 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.329 -12.361 1.469 1.00 1.20 H new ATOM 966 N LYS A 80 4.054 -16.493 0.254 1.00 0.84 N ATOM 967 CA LYS A 80 3.021 -17.436 -0.131 1.00 0.92 C ATOM 968 C LYS A 80 1.643 -16.892 0.250 1.00 0.88 C ATOM 969 O LYS A 80 0.642 -17.176 -0.412 1.00 0.90 O ATOM 970 CB LYS A 80 3.265 -18.800 0.527 1.00 1.09 C ATOM 971 CG LYS A 80 2.213 -19.840 0.177 1.00 1.65 C ATOM 972 CD LYS A 80 2.548 -21.213 0.742 1.00 2.05 C ATOM 973 CE LYS A 80 3.761 -21.827 0.059 1.00 3.00 C ATOM 974 NZ LYS A 80 3.966 -23.246 0.457 1.00 3.57 N ATOM 0 H LYS A 80 4.477 -16.669 1.165 1.00 0.84 H new ATOM 0 HA LYS A 80 3.055 -17.569 -1.212 1.00 0.92 H new ATOM 0 HB2 LYS A 80 4.245 -19.170 0.225 1.00 1.09 H new ATOM 0 HB3 LYS A 80 3.292 -18.673 1.609 1.00 1.09 H new ATOM 0 HG2 LYS A 80 1.245 -19.518 0.561 1.00 1.65 H new ATOM 0 HG3 LYS A 80 2.119 -19.908 -0.907 1.00 1.65 H new ATOM 0 HD2 LYS A 80 2.738 -21.129 1.812 1.00 2.05 H new ATOM 0 HD3 LYS A 80 1.690 -21.874 0.622 1.00 2.05 H new ATOM 0 HE2 LYS A 80 3.637 -21.768 -1.022 1.00 3.00 H new ATOM 0 HE3 LYS A 80 4.650 -21.248 0.310 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 4.802 -23.626 -0.031 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 4.110 -23.301 1.485 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 3.129 -23.805 0.195 1.00 3.57 H new ATOM 988 N ASP A 81 1.596 -16.094 1.309 1.00 0.90 N ATOM 989 CA ASP A 81 0.325 -15.586 1.814 1.00 0.93 C ATOM 990 C ASP A 81 -0.051 -14.245 1.197 1.00 0.83 C ATOM 991 O ASP A 81 -1.231 -13.916 1.116 1.00 0.82 O ATOM 992 CB ASP A 81 0.345 -15.474 3.336 1.00 1.08 C ATOM 993 CG ASP A 81 0.419 -16.827 4.007 1.00 1.46 C ATOM 994 OD1 ASP A 81 -0.297 -17.753 3.570 1.00 2.24 O ATOM 995 OD2 ASP A 81 1.191 -16.973 4.979 1.00 2.00 O ATOM 0 H ASP A 81 2.416 -15.786 1.832 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.436 -16.309 1.520 1.00 0.93 H new ATOM 0 HB2 ASP A 81 1.199 -14.871 3.643 1.00 1.08 H new ATOM 0 HB3 ASP A 81 -0.551 -14.952 3.672 1.00 1.08 H new ATOM 1000 N ALA A 82 0.938 -13.475 0.754 1.00 0.82 N ATOM 1001 CA ALA A 82 0.670 -12.165 0.152 1.00 0.82 C ATOM 1002 C ALA A 82 -0.205 -12.292 -1.088 1.00 0.82 C ATOM 1003 O ALA A 82 -0.970 -11.387 -1.417 1.00 0.84 O ATOM 1004 CB ALA A 82 1.964 -11.460 -0.207 1.00 0.97 C ATOM 0 H ALA A 82 1.925 -13.729 0.798 1.00 0.82 H new ATOM 0 HA ALA A 82 0.135 -11.572 0.894 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.739 -10.491 -0.652 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.562 -11.316 0.693 1.00 0.97 H new ATOM 0 HB3 ALA A 82 2.523 -12.066 -0.921 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.106 -13.430 -1.759 1.00 0.91 N ATOM 1011 CA ASP A 83 -0.877 -13.663 -2.972 1.00 1.03 C ATOM 1012 C ASP A 83 -2.326 -13.942 -2.604 1.00 0.98 C ATOM 1013 O ASP A 83 -3.246 -13.665 -3.373 1.00 1.03 O ATOM 1014 CB ASP A 83 -0.285 -14.823 -3.775 1.00 1.27 C ATOM 1015 CG ASP A 83 -1.036 -15.075 -5.064 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -0.849 -14.298 -6.027 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -1.802 -16.057 -5.127 1.00 2.33 O ATOM 0 H ASP A 83 0.499 -14.205 -1.486 1.00 0.91 H new ATOM 0 HA ASP A 83 -0.836 -12.772 -3.599 1.00 1.03 H new ATOM 0 HB2 ASP A 83 0.759 -14.608 -4.002 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -0.300 -15.727 -3.167 1.00 1.27 H new ATOM 1022 N LYS A 84 -2.515 -14.466 -1.400 1.00 0.96 N ATOM 1023 CA LYS A 84 -3.845 -14.684 -0.858 1.00 1.04 C ATOM 1024 C LYS A 84 -4.487 -13.344 -0.525 1.00 0.94 C ATOM 1025 O LYS A 84 -5.643 -13.092 -0.870 1.00 1.04 O ATOM 1026 CB LYS A 84 -3.783 -15.535 0.409 1.00 1.17 C ATOM 1027 CG LYS A 84 -3.162 -16.908 0.224 1.00 1.67 C ATOM 1028 CD LYS A 84 -3.292 -17.729 1.496 1.00 2.01 C ATOM 1029 CE LYS A 84 -2.611 -19.081 1.373 1.00 2.47 C ATOM 1030 NZ LYS A 84 -1.130 -18.961 1.315 1.00 3.21 N ATOM 0 H LYS A 84 -1.757 -14.749 -0.779 1.00 0.96 H new ATOM 0 HA LYS A 84 -4.438 -15.209 -1.607 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -3.215 -14.994 1.166 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -4.794 -15.658 0.797 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -3.651 -17.426 -0.601 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -2.110 -16.805 -0.043 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -2.856 -17.178 2.329 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -4.347 -17.874 1.727 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -2.890 -19.705 2.222 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -2.968 -19.586 0.475 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -0.705 -19.910 1.300 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -0.857 -18.445 0.454 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -0.791 -18.443 2.151 1.00 3.21 H new ATOM 1044 N VAL A 85 -3.711 -12.485 0.139 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.177 -11.155 0.520 1.00 0.77 C ATOM 1046 C VAL A 85 -4.520 -10.347 -0.727 1.00 0.68 C ATOM 1047 O VAL A 85 -5.460 -9.556 -0.719 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.119 -10.377 1.357 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.752 -9.176 2.040 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.415 -11.268 2.384 1.00 1.16 C ATOM 0 H VAL A 85 -2.753 -12.690 0.424 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.063 -11.291 1.140 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.358 -10.028 0.659 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -2.996 -8.646 2.619 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -4.167 -8.506 1.287 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -4.548 -9.513 2.704 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.688 -10.677 2.941 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.152 -11.680 3.074 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -1.904 -12.082 1.870 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.765 -10.569 -1.804 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.018 -9.903 -3.077 1.00 0.59 C ATOM 1062 C LYS A 86 -5.461 -10.144 -3.499 1.00 0.69 C ATOM 1063 O LYS A 86 -6.184 -9.216 -3.853 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.058 -10.443 -4.151 1.00 0.62 C ATOM 1065 CG LYS A 86 -2.869 -9.535 -5.368 1.00 0.79 C ATOM 1066 CD LYS A 86 -4.103 -9.454 -6.266 1.00 1.07 C ATOM 1067 CE LYS A 86 -4.460 -10.802 -6.880 1.00 1.57 C ATOM 1068 NZ LYS A 86 -5.468 -10.668 -7.969 1.00 2.30 N ATOM 0 H LYS A 86 -2.970 -11.208 -1.817 1.00 0.60 H new ATOM 0 HA LYS A 86 -3.851 -8.832 -2.963 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.085 -10.617 -3.692 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.427 -11.410 -4.492 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -2.611 -8.532 -5.027 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -2.026 -9.898 -5.955 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -4.949 -9.086 -5.685 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -3.924 -8.731 -7.062 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -3.559 -11.271 -7.275 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -4.849 -11.462 -6.105 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -6.013 -11.550 -8.048 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -6.112 -9.881 -7.751 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -4.983 -10.479 -8.869 1.00 2.30 H new ATOM 1082 N LYS A 87 -5.872 -11.400 -3.426 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.206 -11.799 -3.839 1.00 0.89 C ATOM 1084 C LYS A 87 -8.256 -11.244 -2.884 1.00 0.88 C ATOM 1085 O LYS A 87 -9.294 -10.749 -3.314 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.292 -13.324 -3.897 1.00 1.06 C ATOM 1087 CG LYS A 87 -6.205 -13.950 -4.755 1.00 1.85 C ATOM 1088 CD LYS A 87 -6.261 -15.465 -4.723 1.00 2.29 C ATOM 1089 CE LYS A 87 -5.135 -16.074 -5.544 1.00 3.21 C ATOM 1090 NZ LYS A 87 -5.185 -17.558 -5.547 1.00 3.93 N ATOM 0 H LYS A 87 -5.294 -12.166 -3.081 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.403 -11.391 -4.831 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.224 -13.725 -2.886 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -8.267 -13.612 -4.289 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -6.310 -13.605 -5.783 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -5.228 -13.615 -4.405 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -6.192 -15.812 -3.692 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -7.222 -15.804 -5.110 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -5.195 -15.708 -6.569 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -4.176 -15.745 -5.144 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -4.400 -17.931 -6.118 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -5.102 -17.910 -4.572 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -6.089 -17.874 -5.953 1.00 3.93 H new ATOM 1104 N GLU A 88 -7.966 -11.303 -1.588 1.00 0.90 N ATOM 1105 CA GLU A 88 -8.902 -10.842 -0.571 1.00 0.98 C ATOM 1106 C GLU A 88 -9.118 -9.336 -0.675 1.00 0.96 C ATOM 1107 O GLU A 88 -10.250 -8.855 -0.609 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.402 -11.216 0.826 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.295 -12.717 1.042 1.00 1.16 C ATOM 1110 CD GLU A 88 -7.831 -13.085 2.436 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -8.681 -13.172 3.348 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -6.617 -13.303 2.627 1.00 2.58 O ATOM 0 H GLU A 88 -7.088 -11.667 -1.218 1.00 0.90 H new ATOM 0 HA GLU A 88 -9.859 -11.335 -0.741 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.425 -10.761 0.989 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.077 -10.795 1.571 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -9.267 -13.175 0.856 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -7.601 -13.134 0.312 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.030 -8.597 -0.856 1.00 0.91 N ATOM 1120 CA ILE A 89 -8.109 -7.154 -1.026 1.00 0.93 C ATOM 1121 C ILE A 89 -8.829 -6.809 -2.325 1.00 0.87 C ATOM 1122 O ILE A 89 -9.660 -5.906 -2.365 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.710 -6.498 -1.034 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.988 -6.737 0.295 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.824 -5.007 -1.316 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -6.686 -6.130 1.494 1.00 1.17 C ATOM 0 H ILE A 89 -7.083 -8.975 -0.889 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.669 -6.763 -0.176 1.00 0.93 H new ATOM 0 HB ILE A 89 -6.123 -6.959 -1.828 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.885 -7.811 0.453 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.980 -6.327 0.228 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.830 -4.560 -1.318 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -7.292 -4.855 -2.289 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.432 -4.536 -0.543 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.112 -6.343 2.396 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -6.765 -5.051 1.361 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -7.684 -6.558 1.589 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.515 -7.556 -3.373 1.00 0.81 N ATOM 1139 CA GLU A 90 -9.114 -7.332 -4.688 1.00 0.79 C ATOM 1140 C GLU A 90 -10.629 -7.504 -4.624 1.00 0.79 C ATOM 1141 O GLU A 90 -11.384 -6.627 -5.047 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.506 -8.290 -5.725 1.00 0.83 C ATOM 1143 CG GLU A 90 -9.302 -8.407 -7.011 1.00 1.35 C ATOM 1144 CD GLU A 90 -8.698 -9.419 -7.958 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -9.237 -10.541 -8.066 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -7.669 -9.103 -8.590 1.00 2.08 O ATOM 0 H GLU A 90 -7.847 -8.326 -3.342 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.898 -6.309 -4.995 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -7.497 -7.954 -5.965 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.414 -9.280 -5.278 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -10.327 -8.694 -6.778 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -9.347 -7.434 -7.500 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.063 -8.625 -4.063 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.481 -8.939 -3.968 1.00 0.93 C ATOM 1155 C LYS A 91 -13.239 -7.877 -3.178 1.00 0.96 C ATOM 1156 O LYS A 91 -14.336 -7.470 -3.566 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.677 -10.311 -3.321 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.166 -11.459 -4.173 1.00 1.66 C ATOM 1159 CD LYS A 91 -12.309 -12.793 -3.462 1.00 1.93 C ATOM 1160 CE LYS A 91 -11.838 -13.936 -4.343 1.00 2.60 C ATOM 1161 NZ LYS A 91 -12.009 -15.256 -3.688 1.00 3.12 N ATOM 0 H LYS A 91 -10.449 -9.335 -3.665 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.885 -8.956 -4.980 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.165 -10.327 -2.359 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -13.738 -10.462 -3.120 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -12.716 -11.487 -5.114 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -11.118 -11.290 -4.421 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -11.731 -12.780 -2.538 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -13.351 -12.950 -3.184 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -12.394 -13.923 -5.280 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -10.787 -13.790 -4.594 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -11.674 -16.006 -4.326 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -11.458 -15.280 -2.806 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -13.015 -15.409 -3.472 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.647 -7.416 -2.086 1.00 1.03 N ATOM 1176 CA LYS A 92 -13.312 -6.455 -1.224 1.00 1.17 C ATOM 1177 C LYS A 92 -13.243 -5.049 -1.820 1.00 1.08 C ATOM 1178 O LYS A 92 -14.107 -4.216 -1.551 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.711 -6.500 0.206 1.00 1.37 C ATOM 1180 CG LYS A 92 -11.310 -5.918 0.350 1.00 1.59 C ATOM 1181 CD LYS A 92 -11.320 -4.406 0.507 1.00 1.81 C ATOM 1182 CE LYS A 92 -9.988 -3.900 1.022 1.00 2.18 C ATOM 1183 NZ LYS A 92 -9.707 -4.413 2.387 1.00 2.41 N ATOM 0 H LYS A 92 -11.714 -7.691 -1.779 1.00 1.03 H new ATOM 0 HA LYS A 92 -14.365 -6.726 -1.151 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -13.379 -5.962 0.879 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.690 -7.538 0.539 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -10.821 -6.366 1.215 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -10.718 -6.185 -0.525 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -11.543 -3.940 -0.453 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -12.113 -4.114 1.195 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -9.192 -4.209 0.344 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -9.991 -2.810 1.034 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -8.869 -3.933 2.773 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -10.525 -4.229 3.002 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -9.530 -5.437 2.343 1.00 2.41 H new ATOM 1197 N ALA A 93 -12.224 -4.792 -2.634 1.00 0.98 N ATOM 1198 CA ALA A 93 -12.064 -3.486 -3.261 1.00 0.99 C ATOM 1199 C ALA A 93 -13.058 -3.316 -4.400 1.00 0.90 C ATOM 1200 O ALA A 93 -13.584 -2.224 -4.622 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.642 -3.301 -3.766 1.00 1.01 C ATOM 0 H ALA A 93 -11.499 -5.469 -2.874 1.00 0.98 H new ATOM 0 HA ALA A 93 -12.263 -2.721 -2.510 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.546 -2.319 -4.230 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.946 -3.377 -2.930 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.413 -4.074 -4.500 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.318 -4.406 -5.109 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.282 -4.397 -6.200 1.00 0.85 C ATOM 1209 C ARG A 94 -15.687 -4.141 -5.668 1.00 0.86 C ATOM 1210 O ARG A 94 -16.485 -3.456 -6.302 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.239 -5.725 -6.966 1.00 0.93 C ATOM 1212 CG ARG A 94 -12.915 -5.977 -7.668 1.00 1.31 C ATOM 1213 CD ARG A 94 -12.949 -7.256 -8.483 1.00 1.63 C ATOM 1214 NE ARG A 94 -13.860 -7.157 -9.622 1.00 2.21 N ATOM 1215 CZ ARG A 94 -14.306 -8.205 -10.312 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -13.971 -9.437 -9.949 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -15.094 -8.022 -11.363 1.00 3.67 N ATOM 0 H ARG A 94 -12.873 -5.310 -4.947 1.00 0.82 H new ATOM 0 HA ARG A 94 -14.017 -3.592 -6.885 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -14.434 -6.542 -6.272 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -15.041 -5.736 -7.705 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -12.683 -5.135 -8.320 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -12.116 -6.037 -6.929 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -11.945 -7.484 -8.841 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -13.256 -8.084 -7.845 1.00 1.63 H new ATOM 0 HE ARG A 94 -14.173 -6.229 -9.906 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -13.370 -9.584 -9.138 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -14.315 -10.237 -10.481 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -15.359 -7.078 -11.644 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -15.435 -8.825 -11.891 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.971 -4.676 -4.487 1.00 0.90 N ATOM 1232 CA LYS A 95 -17.268 -4.483 -3.849 1.00 1.02 C ATOM 1233 C LYS A 95 -17.345 -3.129 -3.156 1.00 1.02 C ATOM 1234 O LYS A 95 -18.390 -2.742 -2.630 1.00 1.15 O ATOM 1235 CB LYS A 95 -17.532 -5.596 -2.836 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.764 -6.958 -3.468 1.00 1.55 C ATOM 1237 CD LYS A 95 -17.997 -8.033 -2.417 1.00 2.10 C ATOM 1238 CE LYS A 95 -19.195 -7.715 -1.530 1.00 2.52 C ATOM 1239 NZ LYS A 95 -20.450 -7.542 -2.312 1.00 3.34 N ATOM 0 H LYS A 95 -15.319 -5.248 -3.950 1.00 0.90 H new ATOM 0 HA LYS A 95 -18.030 -4.515 -4.628 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.685 -5.662 -2.154 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -18.403 -5.330 -2.237 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -18.625 -6.908 -4.135 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -16.903 -7.227 -4.079 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -18.155 -8.993 -2.909 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -17.105 -8.135 -1.799 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -19.330 -8.517 -0.805 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -18.994 -6.805 -0.965 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -21.257 -7.462 -1.661 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -20.384 -6.679 -2.888 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -20.587 -8.364 -2.934 1.00 3.34 H new ATOM 1253 N LYS A 96 -16.237 -2.407 -3.160 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.170 -1.128 -2.462 1.00 1.03 C ATOM 1255 C LYS A 96 -15.929 0.021 -3.449 1.00 0.96 C ATOM 1256 O LYS A 96 -15.843 1.187 -3.058 1.00 1.07 O ATOM 1257 CB LYS A 96 -15.074 -1.172 -1.380 1.00 1.15 C ATOM 1258 CG LYS A 96 -15.005 0.064 -0.506 1.00 1.29 C ATOM 1259 CD LYS A 96 -13.905 -0.054 0.534 1.00 1.68 C ATOM 1260 CE LYS A 96 -13.966 1.086 1.534 1.00 1.78 C ATOM 1261 NZ LYS A 96 -15.272 1.122 2.241 1.00 2.17 N ATOM 0 H LYS A 96 -15.376 -2.679 -3.634 1.00 0.97 H new ATOM 0 HA LYS A 96 -17.127 -0.946 -1.973 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -15.243 -2.042 -0.745 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.108 -1.313 -1.865 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -14.828 0.942 -1.128 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -15.963 0.214 -0.009 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -13.998 -1.005 1.058 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -12.933 -0.055 0.040 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -13.161 0.977 2.261 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -13.804 2.033 1.018 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -15.162 1.620 3.147 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -15.971 1.621 1.654 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -15.598 0.150 2.417 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.847 -0.327 -4.739 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.588 0.641 -5.809 1.00 0.86 C ATOM 1277 C ASN A 97 -14.342 1.469 -5.515 1.00 0.87 C ATOM 1278 O ASN A 97 -14.278 2.655 -5.837 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.795 1.563 -6.015 1.00 0.97 C ATOM 1280 CG ASN A 97 -17.980 0.860 -6.651 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -18.186 -0.344 -6.474 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -18.774 1.610 -7.397 1.00 2.33 N ATOM 0 H ASN A 97 -15.958 -1.286 -5.069 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.417 0.078 -6.726 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.098 1.975 -5.052 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.499 2.404 -6.643 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -19.589 1.196 -7.849 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -18.571 2.602 -7.520 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.352 0.830 -4.913 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.148 1.518 -4.478 1.00 0.84 C ATOM 1291 C LEU A 98 -10.976 1.163 -5.390 1.00 0.71 C ATOM 1292 O LEU A 98 -10.516 0.020 -5.398 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.839 1.139 -3.027 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.672 1.883 -2.373 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -10.897 3.390 -2.401 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -10.488 1.400 -0.943 1.00 2.08 C ATOM 0 H LEU A 98 -13.359 -0.170 -4.714 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.307 2.595 -4.536 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.734 1.311 -2.429 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.630 0.070 -2.988 1.00 1.00 H new ATOM 0 HG LEU A 98 -9.766 1.670 -2.941 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -10.052 3.893 -1.930 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -10.988 3.725 -3.434 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -11.811 3.631 -1.859 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -9.656 1.933 -0.483 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -11.399 1.589 -0.375 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -10.277 0.331 -0.944 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.502 2.133 -6.193 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.379 1.923 -7.114 1.00 0.85 C ATOM 1310 C PRO A 99 -8.079 1.605 -6.385 1.00 0.70 C ATOM 1311 O PRO A 99 -7.577 2.414 -5.601 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.253 3.261 -7.855 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.548 3.962 -7.622 1.00 1.25 C ATOM 1314 CD PRO A 99 -11.028 3.503 -6.277 1.00 1.10 C ATOM 0 HA PRO A 99 -9.558 1.072 -7.771 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.415 3.845 -7.473 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.075 3.106 -8.919 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -10.415 5.044 -7.641 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -11.271 3.716 -8.400 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.645 4.133 -5.474 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -12.116 3.524 -6.207 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.533 0.430 -6.658 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.291 0.001 -6.038 1.00 0.47 C ATOM 1324 C VAL A 100 -5.287 -0.447 -7.096 1.00 0.42 C ATOM 1325 O VAL A 100 -5.628 -1.175 -8.027 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.515 -1.146 -5.021 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.289 -0.648 -3.811 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -7.243 -2.318 -5.667 1.00 1.35 C ATOM 0 H VAL A 100 -7.934 -0.246 -7.308 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.894 0.861 -5.498 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.536 -1.493 -4.690 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.435 -1.469 -3.109 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -6.729 0.150 -3.324 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.259 -0.267 -4.131 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.386 -3.108 -4.930 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -8.213 -1.985 -6.036 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.651 -2.701 -6.498 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.057 0.019 -6.965 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.984 -0.388 -7.854 1.00 0.43 C ATOM 1340 C ARG A 101 -2.031 -1.298 -7.097 1.00 0.40 C ATOM 1341 O ARG A 101 -1.184 -0.835 -6.335 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.249 0.846 -8.396 1.00 0.49 C ATOM 1343 CG ARG A 101 -1.082 0.538 -9.330 1.00 1.20 C ATOM 1344 CD ARG A 101 -1.512 -0.264 -10.550 1.00 1.40 C ATOM 1345 NE ARG A 101 -1.370 -1.706 -10.340 1.00 2.23 N ATOM 1346 CZ ARG A 101 -2.188 -2.623 -10.855 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -3.252 -2.255 -11.559 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -1.944 -3.913 -10.651 1.00 3.87 N ATOM 0 H ARG A 101 -3.776 0.685 -6.245 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.395 -0.933 -8.704 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.965 1.474 -8.927 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.877 1.429 -7.553 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.624 1.472 -9.655 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -0.320 -0.017 -8.784 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -2.551 -0.033 -10.787 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -0.914 0.037 -11.410 1.00 1.40 H new ATOM 0 HE ARG A 101 -0.594 -2.030 -9.762 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -3.447 -1.265 -11.708 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -3.874 -2.962 -11.950 1.00 2.96 H new ATOM 0 HH21 ARG A 101 -1.133 -4.198 -10.102 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -2.568 -4.618 -11.043 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.186 -2.595 -7.296 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.396 -3.572 -6.569 1.00 0.43 C ATOM 1364 C ILE A 102 -0.073 -3.842 -7.276 1.00 0.45 C ATOM 1365 O ILE A 102 -0.030 -4.019 -8.495 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.173 -4.894 -6.387 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.501 -4.626 -5.669 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.337 -5.905 -5.612 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.364 -5.859 -5.492 1.00 0.76 C ATOM 0 H ILE A 102 -2.853 -2.996 -7.956 1.00 0.43 H new ATOM 0 HA ILE A 102 -1.187 -3.153 -5.585 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.386 -5.314 -7.370 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.293 -4.197 -4.689 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -4.062 -3.879 -6.231 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.902 -6.830 -5.494 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.416 -6.109 -6.157 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -1.095 -5.500 -4.629 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.285 -5.587 -4.976 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.605 -6.278 -6.469 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.823 -6.600 -4.903 1.00 0.76 H new ATOM 1381 N ARG A 103 1.000 -3.825 -6.502 1.00 0.41 N ATOM 1382 CA ARG A 103 2.329 -4.135 -6.996 1.00 0.50 C ATOM 1383 C ARG A 103 3.008 -5.148 -6.086 1.00 0.43 C ATOM 1384 O ARG A 103 3.122 -4.927 -4.880 1.00 0.53 O ATOM 1385 CB ARG A 103 3.183 -2.865 -7.066 1.00 0.65 C ATOM 1386 CG ARG A 103 2.900 -1.983 -8.271 1.00 1.12 C ATOM 1387 CD ARG A 103 3.321 -2.673 -9.567 1.00 1.27 C ATOM 1388 NE ARG A 103 4.659 -3.261 -9.461 1.00 1.83 N ATOM 1389 CZ ARG A 103 5.329 -3.777 -10.491 1.00 2.44 C ATOM 1390 NH1 ARG A 103 4.810 -3.733 -11.713 1.00 2.64 N ATOM 1391 NH2 ARG A 103 6.525 -4.320 -10.301 1.00 3.34 N ATOM 0 H ARG A 103 0.972 -3.594 -5.509 1.00 0.41 H new ATOM 0 HA ARG A 103 2.230 -4.557 -7.996 1.00 0.50 H new ATOM 0 HB2 ARG A 103 3.021 -2.283 -6.159 1.00 0.65 H new ATOM 0 HB3 ARG A 103 4.235 -3.150 -7.079 1.00 0.65 H new ATOM 0 HG2 ARG A 103 1.837 -1.745 -8.310 1.00 1.12 H new ATOM 0 HG3 ARG A 103 3.434 -1.038 -8.168 1.00 1.12 H new ATOM 0 HD2 ARG A 103 2.600 -3.452 -9.815 1.00 1.27 H new ATOM 0 HD3 ARG A 103 3.305 -1.952 -10.384 1.00 1.27 H new ATOM 0 HE ARG A 103 5.104 -3.276 -8.544 1.00 1.83 H new ATOM 0 HH11 ARG A 103 3.897 -3.304 -11.864 1.00 2.64 H new ATOM 0 HH12 ARG A 103 5.324 -4.128 -12.500 1.00 2.64 H new ATOM 0 HH21 ARG A 103 6.932 -4.343 -9.366 1.00 3.34 H new ATOM 0 HH22 ARG A 103 7.037 -4.715 -11.090 1.00 3.34 H new ATOM 1405 N LYS A 104 3.445 -6.258 -6.656 1.00 0.38 N ATOM 1406 CA LYS A 104 4.225 -7.228 -5.906 1.00 0.39 C ATOM 1407 C LYS A 104 5.696 -6.843 -5.958 1.00 0.37 C ATOM 1408 O LYS A 104 6.358 -7.012 -6.984 1.00 0.46 O ATOM 1409 CB LYS A 104 4.034 -8.644 -6.457 1.00 0.51 C ATOM 1410 CG LYS A 104 2.651 -9.238 -6.222 1.00 0.63 C ATOM 1411 CD LYS A 104 2.586 -10.670 -6.727 1.00 1.06 C ATOM 1412 CE LYS A 104 1.305 -11.368 -6.298 1.00 1.50 C ATOM 1413 NZ LYS A 104 1.344 -12.823 -6.597 1.00 1.91 N ATOM 0 H LYS A 104 3.274 -6.509 -7.630 1.00 0.38 H new ATOM 0 HA LYS A 104 3.878 -7.223 -4.873 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.232 -8.632 -7.529 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.778 -9.299 -6.003 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.415 -9.212 -5.158 1.00 0.63 H new ATOM 0 HG3 LYS A 104 1.900 -8.634 -6.730 1.00 0.63 H new ATOM 0 HD2 LYS A 104 2.654 -10.674 -7.815 1.00 1.06 H new ATOM 0 HD3 LYS A 104 3.445 -11.226 -6.352 1.00 1.06 H new ATOM 0 HE2 LYS A 104 1.151 -11.220 -5.229 1.00 1.50 H new ATOM 0 HE3 LYS A 104 0.455 -10.914 -6.808 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 0.585 -13.305 -6.075 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 1.210 -12.971 -7.618 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.264 -13.212 -6.308 1.00 1.91 H new ATOM 1427 N VAL A 105 6.197 -6.309 -4.856 1.00 0.35 N ATOM 1428 CA VAL A 105 7.557 -5.798 -4.800 1.00 0.39 C ATOM 1429 C VAL A 105 8.245 -6.221 -3.514 1.00 0.46 C ATOM 1430 O VAL A 105 7.612 -6.333 -2.464 1.00 0.52 O ATOM 1431 CB VAL A 105 7.597 -4.251 -4.887 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.034 -3.761 -6.208 1.00 0.43 C ATOM 1433 CG2 VAL A 105 6.843 -3.623 -3.724 1.00 0.55 C ATOM 0 H VAL A 105 5.678 -6.218 -3.983 1.00 0.35 H new ATOM 0 HA VAL A 105 8.079 -6.219 -5.660 1.00 0.39 H new ATOM 0 HB VAL A 105 8.641 -3.944 -4.828 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.075 -2.672 -6.240 1.00 0.43 H new ATOM 0 HG12 VAL A 105 7.623 -4.170 -7.029 1.00 0.43 H new ATOM 0 HG13 VAL A 105 5.999 -4.088 -6.306 1.00 0.43 H new ATOM 0 HG21 VAL A 105 6.885 -2.537 -3.807 1.00 0.55 H new ATOM 0 HG22 VAL A 105 5.803 -3.949 -3.746 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.300 -3.933 -2.784 1.00 0.55 H new ATOM 1443 N THR A 106 9.536 -6.480 -3.600 1.00 0.52 N ATOM 1444 CA THR A 106 10.340 -6.660 -2.413 1.00 0.61 C ATOM 1445 C THR A 106 11.755 -6.142 -2.656 1.00 0.58 C ATOM 1446 O THR A 106 12.620 -6.851 -3.175 1.00 0.67 O ATOM 1447 CB THR A 106 10.357 -8.145 -1.967 1.00 0.80 C ATOM 1448 OG1 THR A 106 11.339 -8.354 -0.946 1.00 1.32 O ATOM 1449 CG2 THR A 106 10.624 -9.082 -3.139 1.00 1.64 C ATOM 0 H THR A 106 10.047 -6.570 -4.478 1.00 0.52 H new ATOM 0 HA THR A 106 9.894 -6.083 -1.603 1.00 0.61 H new ATOM 0 HB THR A 106 9.369 -8.374 -1.568 1.00 0.80 H new ATOM 0 HG1 THR A 106 11.335 -9.296 -0.676 1.00 1.32 H new ATOM 0 HG21 THR A 106 10.628 -10.113 -2.787 1.00 1.64 H new ATOM 0 HG22 THR A 106 9.843 -8.958 -3.889 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.592 -8.845 -3.581 1.00 1.64 H new ATOM 1457 N SER A 107 11.958 -4.879 -2.292 1.00 0.50 N ATOM 1458 CA SER A 107 13.266 -4.238 -2.332 1.00 0.51 C ATOM 1459 C SER A 107 13.114 -2.772 -1.932 1.00 0.45 C ATOM 1460 O SER A 107 12.101 -2.155 -2.274 1.00 0.44 O ATOM 1461 CB SER A 107 13.894 -4.339 -3.730 1.00 0.56 C ATOM 1462 OG SER A 107 15.258 -3.956 -3.711 1.00 1.36 O ATOM 0 H SER A 107 11.212 -4.268 -1.959 1.00 0.50 H new ATOM 0 HA SER A 107 13.928 -4.749 -1.633 1.00 0.51 H new ATOM 0 HB2 SER A 107 13.806 -5.362 -4.097 1.00 0.56 H new ATOM 0 HB3 SER A 107 13.345 -3.703 -4.424 1.00 0.56 H new ATOM 0 HG SER A 107 15.455 -3.408 -4.499 1.00 1.36 H new ATOM 1468 N PRO A 108 14.078 -2.194 -1.196 1.00 0.47 N ATOM 1469 CA PRO A 108 14.042 -0.772 -0.835 1.00 0.49 C ATOM 1470 C PRO A 108 13.797 0.126 -2.045 1.00 0.43 C ATOM 1471 O PRO A 108 12.837 0.899 -2.068 1.00 0.47 O ATOM 1472 CB PRO A 108 15.432 -0.518 -0.257 1.00 0.63 C ATOM 1473 CG PRO A 108 15.873 -1.841 0.268 1.00 0.69 C ATOM 1474 CD PRO A 108 15.261 -2.877 -0.637 1.00 0.55 C ATOM 0 HA PRO A 108 13.230 -0.547 -0.143 1.00 0.49 H new ATOM 0 HB2 PRO A 108 16.116 -0.147 -1.020 1.00 0.63 H new ATOM 0 HB3 PRO A 108 15.401 0.231 0.534 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.960 -1.917 0.268 1.00 0.69 H new ATOM 0 HG3 PRO A 108 15.544 -1.980 1.298 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.954 -3.185 -1.420 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.982 -3.776 -0.087 1.00 0.55 H new ATOM 1482 N ASP A 109 14.646 -0.015 -3.060 1.00 0.46 N ATOM 1483 CA ASP A 109 14.569 0.817 -4.256 1.00 0.50 C ATOM 1484 C ASP A 109 13.223 0.667 -4.960 1.00 0.41 C ATOM 1485 O ASP A 109 12.664 1.651 -5.435 1.00 0.44 O ATOM 1486 CB ASP A 109 15.713 0.494 -5.228 1.00 0.64 C ATOM 1487 CG ASP A 109 15.652 -0.920 -5.772 1.00 1.56 C ATOM 1488 OD1 ASP A 109 15.968 -1.864 -5.020 1.00 2.22 O ATOM 1489 OD2 ASP A 109 15.299 -1.095 -6.955 1.00 2.37 O ATOM 0 H ASP A 109 15.399 -0.702 -3.077 1.00 0.46 H new ATOM 0 HA ASP A 109 14.668 1.853 -3.932 1.00 0.50 H new ATOM 0 HB2 ASP A 109 15.684 1.198 -6.060 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.666 0.640 -4.719 1.00 0.64 H new ATOM 1494 N GLU A 110 12.696 -0.553 -5.006 1.00 0.38 N ATOM 1495 CA GLU A 110 11.408 -0.799 -5.647 1.00 0.38 C ATOM 1496 C GLU A 110 10.272 -0.151 -4.868 1.00 0.36 C ATOM 1497 O GLU A 110 9.435 0.539 -5.447 1.00 0.42 O ATOM 1498 CB GLU A 110 11.146 -2.296 -5.806 1.00 0.43 C ATOM 1499 CG GLU A 110 11.784 -2.899 -7.047 1.00 0.68 C ATOM 1500 CD GLU A 110 11.138 -2.408 -8.332 1.00 1.32 C ATOM 1501 OE1 GLU A 110 11.636 -1.427 -8.922 1.00 2.01 O ATOM 1502 OE2 GLU A 110 10.134 -3.016 -8.767 1.00 2.12 O ATOM 0 H GLU A 110 13.138 -1.382 -4.610 1.00 0.38 H new ATOM 0 HA GLU A 110 11.449 -0.348 -6.638 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.521 -2.817 -4.925 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.070 -2.466 -5.842 1.00 0.43 H new ATOM 0 HG2 GLU A 110 12.846 -2.653 -7.061 1.00 0.68 H new ATOM 0 HG3 GLU A 110 11.709 -3.985 -6.999 1.00 0.68 H new ATOM 1509 N ALA A 111 10.254 -0.363 -3.557 1.00 0.33 N ATOM 1510 CA ALA A 111 9.226 0.226 -2.707 1.00 0.35 C ATOM 1511 C ALA A 111 9.219 1.741 -2.862 1.00 0.34 C ATOM 1512 O ALA A 111 8.187 2.339 -3.157 1.00 0.41 O ATOM 1513 CB ALA A 111 9.446 -0.159 -1.251 1.00 0.38 C ATOM 0 H ALA A 111 10.937 -0.936 -3.061 1.00 0.33 H new ATOM 0 HA ALA A 111 8.256 -0.162 -3.019 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.668 0.291 -0.634 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.406 -1.244 -1.151 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.422 0.200 -0.923 1.00 0.38 H new ATOM 1519 N LYS A 112 10.388 2.346 -2.699 1.00 0.32 N ATOM 1520 CA LYS A 112 10.530 3.793 -2.811 1.00 0.34 C ATOM 1521 C LYS A 112 10.130 4.278 -4.199 1.00 0.37 C ATOM 1522 O LYS A 112 9.485 5.316 -4.340 1.00 0.42 O ATOM 1523 CB LYS A 112 11.972 4.198 -2.527 1.00 0.40 C ATOM 1524 CG LYS A 112 12.470 3.767 -1.162 1.00 0.48 C ATOM 1525 CD LYS A 112 13.938 4.088 -0.997 1.00 0.62 C ATOM 1526 CE LYS A 112 14.471 3.594 0.330 1.00 1.11 C ATOM 1527 NZ LYS A 112 15.905 3.925 0.509 1.00 1.51 N ATOM 0 H LYS A 112 11.257 1.855 -2.488 1.00 0.32 H new ATOM 0 HA LYS A 112 9.868 4.255 -2.079 1.00 0.34 H new ATOM 0 HB2 LYS A 112 12.618 3.767 -3.292 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.058 5.281 -2.610 1.00 0.40 H new ATOM 0 HG2 LYS A 112 11.894 4.270 -0.385 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.311 2.696 -1.034 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.504 3.632 -1.809 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.086 5.165 -1.071 1.00 0.62 H new ATOM 0 HE2 LYS A 112 13.893 4.037 1.141 1.00 1.11 H new ATOM 0 HE3 LYS A 112 14.337 2.514 0.396 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.261 3.469 1.373 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.445 3.583 -0.311 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.016 4.956 0.591 1.00 1.51 H new ATOM 1541 N ARG A 113 10.516 3.512 -5.212 1.00 0.38 N ATOM 1542 CA ARG A 113 10.229 3.849 -6.600 1.00 0.46 C ATOM 1543 C ARG A 113 8.739 4.053 -6.823 1.00 0.43 C ATOM 1544 O ARG A 113 8.299 5.153 -7.154 1.00 0.50 O ATOM 1545 CB ARG A 113 10.731 2.737 -7.519 1.00 0.57 C ATOM 1546 CG ARG A 113 10.350 2.919 -8.977 1.00 0.77 C ATOM 1547 CD ARG A 113 10.809 1.732 -9.805 1.00 1.01 C ATOM 1548 NE ARG A 113 10.489 1.875 -11.219 1.00 1.68 N ATOM 1549 CZ ARG A 113 10.565 0.875 -12.092 1.00 2.13 C ATOM 1550 NH1 ARG A 113 10.882 -0.350 -11.675 1.00 1.97 N ATOM 1551 NH2 ARG A 113 10.314 1.095 -13.377 1.00 2.96 N ATOM 0 H ARG A 113 11.035 2.642 -5.095 1.00 0.38 H new ATOM 0 HA ARG A 113 10.743 4.782 -6.831 1.00 0.46 H new ATOM 0 HB2 ARG A 113 11.817 2.680 -7.443 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.336 1.784 -7.168 1.00 0.57 H new ATOM 0 HG2 ARG A 113 9.269 3.033 -9.064 1.00 0.77 H new ATOM 0 HG3 ARG A 113 10.799 3.834 -9.364 1.00 0.77 H new ATOM 0 HD2 ARG A 113 11.886 1.610 -9.691 1.00 1.01 H new ATOM 0 HD3 ARG A 113 10.343 0.825 -9.421 1.00 1.01 H new ATOM 0 HE ARG A 113 10.191 2.790 -11.557 1.00 1.68 H new ATOM 0 HH11 ARG A 113 11.066 -0.520 -10.686 1.00 1.97 H new ATOM 0 HH12 ARG A 113 10.940 -1.117 -12.344 1.00 1.97 H new ATOM 0 HH21 ARG A 113 10.063 2.031 -13.695 1.00 2.96 H new ATOM 0 HH22 ARG A 113 10.372 0.328 -14.047 1.00 2.96 H new ATOM 1565 N TRP A 114 7.969 2.994 -6.618 1.00 0.39 N ATOM 1566 CA TRP A 114 6.543 3.025 -6.900 1.00 0.39 C ATOM 1567 C TRP A 114 5.827 4.029 -6.000 1.00 0.40 C ATOM 1568 O TRP A 114 4.895 4.709 -6.434 1.00 0.46 O ATOM 1569 CB TRP A 114 5.944 1.623 -6.745 1.00 0.38 C ATOM 1570 CG TRP A 114 6.548 0.625 -7.689 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.422 -0.375 -7.380 1.00 0.34 C ATOM 1572 CD2 TRP A 114 6.335 0.547 -9.101 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.768 -1.071 -8.514 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.110 -0.524 -9.584 1.00 0.63 C ATOM 1575 CE3 TRP A 114 5.561 1.277 -10.004 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 7.132 -0.879 -10.928 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 5.583 0.925 -11.339 1.00 1.29 C ATOM 1578 CH2 TRP A 114 6.365 -0.145 -11.790 1.00 1.25 C ATOM 0 H TRP A 114 8.309 2.103 -6.257 1.00 0.39 H new ATOM 0 HA TRP A 114 6.402 3.350 -7.931 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.090 1.282 -5.720 1.00 0.38 H new ATOM 0 HB3 TRP A 114 4.868 1.672 -6.914 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.790 -0.589 -6.387 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.409 -1.864 -8.552 1.00 0.40 H new ATOM 0 HE3 TRP A 114 4.955 2.104 -9.664 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 7.733 -1.705 -11.279 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 4.988 1.484 -12.046 1.00 1.29 H new ATOM 0 HH2 TRP A 114 6.362 -0.396 -12.840 1.00 1.25 H new ATOM 1589 N ILE A 115 6.288 4.143 -4.760 1.00 0.38 N ATOM 1590 CA ILE A 115 5.701 5.084 -3.811 1.00 0.41 C ATOM 1591 C ILE A 115 5.908 6.526 -4.274 1.00 0.47 C ATOM 1592 O ILE A 115 4.976 7.329 -4.258 1.00 0.55 O ATOM 1593 CB ILE A 115 6.288 4.908 -2.389 1.00 0.40 C ATOM 1594 CG1 ILE A 115 5.830 3.577 -1.778 1.00 0.40 C ATOM 1595 CG2 ILE A 115 5.894 6.072 -1.486 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.413 3.302 -0.406 1.00 0.44 C ATOM 0 H ILE A 115 7.065 3.597 -4.388 1.00 0.38 H new ATOM 0 HA ILE A 115 4.633 4.868 -3.771 1.00 0.41 H new ATOM 0 HB ILE A 115 7.375 4.897 -2.473 1.00 0.40 H new ATOM 0 HG12 ILE A 115 4.742 3.575 -1.708 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.107 2.765 -2.450 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.319 5.923 -0.494 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.273 7.003 -1.907 1.00 0.45 H new ATOM 0 HG23 ILE A 115 4.808 6.123 -1.411 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.044 2.344 -0.039 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.501 3.270 -0.472 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.114 4.093 0.282 1.00 0.44 H new ATOM 1608 N LYS A 116 7.118 6.840 -4.722 1.00 0.50 N ATOM 1609 CA LYS A 116 7.469 8.207 -5.093 1.00 0.60 C ATOM 1610 C LYS A 116 6.878 8.528 -6.458 1.00 0.57 C ATOM 1611 O LYS A 116 6.435 9.644 -6.716 1.00 0.69 O ATOM 1612 CB LYS A 116 8.996 8.373 -5.108 1.00 0.73 C ATOM 1613 CG LYS A 116 9.493 9.811 -4.945 1.00 1.18 C ATOM 1614 CD LYS A 116 9.350 10.644 -6.214 1.00 1.85 C ATOM 1615 CE LYS A 116 10.108 10.031 -7.380 1.00 2.50 C ATOM 1616 NZ LYS A 116 10.285 10.994 -8.499 1.00 3.13 N ATOM 0 H LYS A 116 7.874 6.165 -4.838 1.00 0.50 H new ATOM 0 HA LYS A 116 7.059 8.901 -4.360 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.420 7.765 -4.309 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.380 7.976 -6.048 1.00 0.73 H new ATOM 0 HG2 LYS A 116 8.938 10.291 -4.139 1.00 1.18 H new ATOM 0 HG3 LYS A 116 10.541 9.795 -4.645 1.00 1.18 H new ATOM 0 HD2 LYS A 116 8.295 10.733 -6.473 1.00 1.85 H new ATOM 0 HD3 LYS A 116 9.720 11.653 -6.030 1.00 1.85 H new ATOM 0 HE2 LYS A 116 11.085 9.690 -7.038 1.00 2.50 H new ATOM 0 HE3 LYS A 116 9.572 9.153 -7.739 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 10.319 10.476 -9.400 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 9.487 11.661 -8.512 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 11.173 11.519 -8.368 1.00 3.13 H new ATOM 1630 N GLU A 117 6.858 7.523 -7.316 1.00 0.53 N ATOM 1631 CA GLU A 117 6.309 7.657 -8.651 1.00 0.58 C ATOM 1632 C GLU A 117 4.829 8.043 -8.591 1.00 0.57 C ATOM 1633 O GLU A 117 4.401 9.015 -9.217 1.00 0.66 O ATOM 1634 CB GLU A 117 6.485 6.334 -9.401 1.00 0.70 C ATOM 1635 CG GLU A 117 5.775 6.280 -10.730 1.00 1.28 C ATOM 1636 CD GLU A 117 6.478 7.081 -11.806 1.00 1.51 C ATOM 1637 OE1 GLU A 117 6.190 8.285 -11.948 1.00 2.14 O ATOM 1638 OE2 GLU A 117 7.316 6.498 -12.526 1.00 1.93 O ATOM 0 H GLU A 117 7.221 6.593 -7.106 1.00 0.53 H new ATOM 0 HA GLU A 117 6.841 8.448 -9.179 1.00 0.58 H new ATOM 0 HB2 GLU A 117 7.549 6.159 -9.562 1.00 0.70 H new ATOM 0 HB3 GLU A 117 6.120 5.521 -8.773 1.00 0.70 H new ATOM 0 HG2 GLU A 117 5.694 5.242 -11.051 1.00 1.28 H new ATOM 0 HG3 GLU A 117 4.759 6.656 -10.609 1.00 1.28 H new ATOM 1645 N PHE A 118 4.063 7.301 -7.804 1.00 0.56 N ATOM 1646 CA PHE A 118 2.622 7.498 -7.732 1.00 0.66 C ATOM 1647 C PHE A 118 2.240 8.694 -6.863 1.00 0.73 C ATOM 1648 O PHE A 118 1.120 9.196 -6.953 1.00 0.88 O ATOM 1649 CB PHE A 118 1.934 6.227 -7.230 1.00 0.73 C ATOM 1650 CG PHE A 118 1.713 5.192 -8.300 1.00 0.69 C ATOM 1651 CD1 PHE A 118 2.784 4.562 -8.916 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.428 4.849 -8.689 1.00 1.27 C ATOM 1653 CE1 PHE A 118 2.577 3.613 -9.898 1.00 1.57 C ATOM 1654 CE2 PHE A 118 0.215 3.901 -9.669 1.00 1.56 C ATOM 1655 CZ PHE A 118 1.290 3.283 -10.276 1.00 1.41 C ATOM 0 H PHE A 118 4.416 6.555 -7.205 1.00 0.56 H new ATOM 0 HA PHE A 118 2.277 7.716 -8.743 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.536 5.790 -6.434 1.00 0.73 H new ATOM 0 HB3 PHE A 118 0.972 6.494 -6.792 1.00 0.73 H new ATOM 0 HD1 PHE A 118 3.792 4.817 -8.624 1.00 1.33 H new ATOM 0 HD2 PHE A 118 -0.417 5.330 -8.219 1.00 1.27 H new ATOM 0 HE1 PHE A 118 3.420 3.130 -10.370 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -0.792 3.643 -9.961 1.00 1.56 H new ATOM 0 HZ PHE A 118 1.125 2.543 -11.045 1.00 1.41 H new ATOM 1665 N SER A 119 3.159 9.158 -6.030 1.00 0.69 N ATOM 1666 CA SER A 119 2.878 10.301 -5.175 1.00 0.80 C ATOM 1667 C SER A 119 3.263 11.600 -5.869 1.00 0.79 C ATOM 1668 O SER A 119 2.854 12.686 -5.453 1.00 0.90 O ATOM 1669 CB SER A 119 3.612 10.170 -3.846 1.00 0.93 C ATOM 1670 OG SER A 119 4.993 9.934 -4.045 1.00 1.20 O ATOM 0 H SER A 119 4.095 8.766 -5.928 1.00 0.69 H new ATOM 0 HA SER A 119 1.806 10.322 -4.977 1.00 0.80 H new ATOM 0 HB2 SER A 119 3.476 11.080 -3.262 1.00 0.93 H new ATOM 0 HB3 SER A 119 3.180 9.353 -3.268 1.00 0.93 H new ATOM 0 HG SER A 119 5.173 8.973 -3.984 1.00 1.20 H new ATOM 1676 N GLU A 120 4.054 11.484 -6.928 1.00 0.81 N ATOM 1677 CA GLU A 120 4.474 12.644 -7.693 1.00 0.96 C ATOM 1678 C GLU A 120 3.386 13.039 -8.686 1.00 1.17 C ATOM 1679 O GLU A 120 3.349 14.172 -9.170 1.00 1.50 O ATOM 1680 CB GLU A 120 5.786 12.351 -8.420 1.00 1.08 C ATOM 1681 CG GLU A 120 6.446 13.584 -9.007 1.00 1.41 C ATOM 1682 CD GLU A 120 7.781 13.275 -9.643 1.00 2.00 C ATOM 1683 OE1 GLU A 120 8.785 13.185 -8.908 1.00 2.45 O ATOM 1684 OE2 GLU A 120 7.835 13.120 -10.878 1.00 2.77 O ATOM 0 H GLU A 120 4.416 10.596 -7.275 1.00 0.81 H new ATOM 0 HA GLU A 120 4.638 13.477 -7.010 1.00 0.96 H new ATOM 0 HB2 GLU A 120 6.478 11.875 -7.725 1.00 1.08 H new ATOM 0 HB3 GLU A 120 5.596 11.636 -9.220 1.00 1.08 H new ATOM 0 HG2 GLU A 120 5.785 14.026 -9.752 1.00 1.41 H new ATOM 0 HG3 GLU A 120 6.584 14.327 -8.222 1.00 1.41 H new ATOM 1691 N GLU A 121 2.503 12.097 -8.986 1.00 1.22 N ATOM 1692 CA GLU A 121 1.364 12.366 -9.845 1.00 1.56 C ATOM 1693 C GLU A 121 0.090 12.453 -9.007 1.00 2.02 C ATOM 1694 O GLU A 121 -0.062 13.445 -8.261 1.00 2.60 O ATOM 1695 CB GLU A 121 1.235 11.291 -10.937 1.00 1.96 C ATOM 1696 CG GLU A 121 1.323 9.859 -10.421 1.00 2.47 C ATOM 1697 CD GLU A 121 0.960 8.832 -11.476 1.00 3.35 C ATOM 1698 OE1 GLU A 121 -0.222 8.421 -11.530 1.00 4.00 O ATOM 1699 OE2 GLU A 121 1.847 8.433 -12.263 1.00 3.84 O ATOM 1700 OXT GLU A 121 -0.749 11.535 -9.077 1.00 2.53 O ATOM 0 H GLU A 121 2.556 11.137 -8.645 1.00 1.22 H new ATOM 0 HA GLU A 121 1.518 13.323 -10.343 1.00 1.56 H new ATOM 0 HB2 GLU A 121 0.282 11.422 -11.449 1.00 1.96 H new ATOM 0 HB3 GLU A 121 2.019 11.447 -11.678 1.00 1.96 H new ATOM 0 HG2 GLU A 121 2.336 9.667 -10.066 1.00 2.47 H new ATOM 0 HG3 GLU A 121 0.658 9.744 -9.565 1.00 2.47 H new