USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 966 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 97 TYR OH : rot 180:sc= 0.0585 USER MOD Set 1.2: A 99 HIS : no HD1:sc= 0.839 K(o=0.97,f=-4.8!) USER MOD Set 1.3: A 112 SER OG : rot -137:sc= 0.0693 USER MOD Set 2.1: A 98 HIS : no HD1:sc= 0 X(o=-0.59,f=-0.59) USER MOD Set 2.2: A 113 THR OG1 : rot 180:sc= -0.588 USER MOD Set 3.1: A 59 THR OG1 : rot -140:sc= -0.0203 USER MOD Set 3.2: A 74 MET CE :methyl -108:sc= -1.56 (180deg=-3.17!) USER MOD Set 4.1: A 52 HIS : no HD1:sc= 1.01 K(o=2.3,f=-0.42) USER MOD Set 4.2: A 58 THR OG1 : rot 127:sc= 1.24 USER MOD Single : A 3 THR OG1 : rot 140:sc= -1.81! USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 1.3 (180deg=1.18) USER MOD Single : A 6 TYR OH : rot 170:sc= 0.86 USER MOD Single : A 10 SER OG : rot 1:sc= 0.966 USER MOD Single : A 13 ASN : amide:sc= 0.352 K(o=0.35,f=-1.2!) USER MOD Single : A 14 TYR OH : rot 37:sc= 1.07 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -120:sc= -0.885 (180deg=-1.79) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -178:sc= -0.472 USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.829 (180deg=-1.53) USER MOD Single : A 38 THR OG1 : rot -70:sc= 0.783 USER MOD Single : A 42 GLN : amide:sc=-0.00922 K(o=-0.0092,f=-0.94) USER MOD Single : A 43 ASN : amide:sc= -0.0877 X(o=-0.088,f=-0.5) USER MOD Single : A 45 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.61) USER MOD Single : A 48 THR OG1 : rot 33:sc= -2.51! USER MOD Single : A 50 THR OG1 : rot 80:sc= -0.508 USER MOD Single : A 51 GLN : amide:sc= -2.43! K(o=-2.4!,f=-1.3) USER MOD Single : A 60 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 61 ASN : amide:sc= -0.402 K(o=-0.4,f=-7.6!) USER MOD Single : A 62 SER OG : rot 34:sc= 0.109 USER MOD Single : A 64 THR OG1 : rot 18:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.11) USER MOD Single : A 71 MET CE :methyl -168:sc= -1.66 (180deg=-2.14) USER MOD Single : A 73 THR OG1 : rot 170:sc= 0.108 USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= 1.16 (180deg=1.09) USER MOD Single : A 80 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.03) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 174:sc= -1.48 (180deg=-1.68) USER MOD Single : A 89 LYS NZ :NH3+ -113:sc= 2.43 (180deg=0.0665) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 38:sc= 0.0682 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 148:sc= 1.22 (180deg=0.0217) USER MOD Single : A 114 SER OG : rot 145:sc= 0.506 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -152:sc= 1.3 (180deg=1.13) USER MOD Single : A 122 THR OG1 : rot -170:sc= -0.0687 USER MOD Single : A 123 SER OG : rot -100:sc= 0.394 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.380 -6.744 -2.963 1.00 0.35 N ATOM 12 CA PHE A 2 -11.174 -6.272 -2.303 1.00 0.27 C ATOM 13 C PHE A 2 -10.907 -7.064 -1.032 1.00 0.23 C ATOM 14 O PHE A 2 -9.765 -7.186 -0.599 1.00 0.25 O ATOM 15 CB PHE A 2 -11.282 -4.779 -1.996 1.00 0.33 C ATOM 16 CG PHE A 2 -11.098 -3.918 -3.210 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.851 -3.793 -3.795 1.00 1.24 C ATOM 18 CD2 PHE A 2 -12.170 -3.242 -3.768 1.00 1.22 C ATOM 19 CE1 PHE A 2 -9.673 -3.011 -4.917 1.00 1.24 C ATOM 20 CE2 PHE A 2 -12.000 -2.458 -4.893 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.749 -2.340 -5.467 1.00 0.36 C ATOM 0 HA PHE A 2 -10.333 -6.425 -2.979 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.258 -4.574 -1.556 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.533 -4.512 -1.250 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -9.007 -4.314 -3.368 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -13.149 -3.328 -3.319 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -8.694 -2.923 -5.365 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -12.844 -1.938 -5.323 1.00 1.23 H new ATOM 0 HZ PHE A 2 -10.612 -1.725 -6.344 1.00 0.36 H new ATOM 31 N THR A 3 -11.971 -7.590 -0.437 1.00 0.20 N ATOM 32 CA THR A 3 -11.869 -8.384 0.777 1.00 0.19 C ATOM 33 C THR A 3 -10.975 -9.601 0.570 1.00 0.19 C ATOM 34 O THR A 3 -11.031 -10.254 -0.476 1.00 0.26 O ATOM 35 CB THR A 3 -13.251 -8.871 1.225 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.237 -7.863 0.955 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.229 -9.198 2.706 1.00 0.26 C ATOM 0 H THR A 3 -12.924 -7.478 -0.782 1.00 0.20 H new ATOM 0 HA THR A 3 -11.434 -7.741 1.542 1.00 0.19 H new ATOM 0 HB THR A 3 -13.508 -9.773 0.669 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.056 -8.287 0.622 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.215 -9.543 3.017 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.494 -9.980 2.895 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.962 -8.305 3.272 1.00 0.26 H new ATOM 45 N GLY A 4 -10.166 -9.913 1.566 1.00 0.19 N ATOM 46 CA GLY A 4 -9.291 -11.056 1.453 1.00 0.21 C ATOM 47 C GLY A 4 -7.877 -10.738 1.877 1.00 0.19 C ATOM 48 O GLY A 4 -7.556 -9.578 2.151 1.00 0.21 O ATOM 0 H GLY A 4 -10.099 -9.400 2.445 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.678 -11.869 2.067 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.288 -11.408 0.422 1.00 0.21 H new ATOM 52 N LYS A 5 -7.031 -11.756 1.956 1.00 0.20 N ATOM 53 CA LYS A 5 -5.642 -11.545 2.327 1.00 0.20 C ATOM 54 C LYS A 5 -4.778 -11.592 1.075 1.00 0.18 C ATOM 55 O LYS A 5 -5.052 -12.356 0.142 1.00 0.19 O ATOM 56 CB LYS A 5 -5.166 -12.587 3.355 1.00 0.23 C ATOM 57 CG LYS A 5 -4.298 -13.679 2.754 1.00 0.28 C ATOM 58 CD LYS A 5 -3.971 -14.782 3.746 1.00 0.31 C ATOM 59 CE LYS A 5 -2.876 -14.360 4.708 1.00 0.56 C ATOM 60 NZ LYS A 5 -1.849 -15.422 4.893 1.00 1.54 N ATOM 0 H LYS A 5 -7.281 -12.727 1.770 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.551 -10.566 2.798 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.606 -12.080 4.141 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -6.036 -13.044 3.827 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.809 -14.110 1.893 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.370 -13.239 2.387 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.868 -15.045 4.307 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.658 -15.676 3.207 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.397 -13.455 4.336 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.318 -14.113 5.673 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -1.208 -15.154 5.667 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -2.317 -16.321 5.126 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -1.303 -15.534 4.015 1.00 1.54 H new ATOM 74 N TYR A 6 -3.755 -10.765 1.040 1.00 0.19 N ATOM 75 CA TYR A 6 -2.856 -10.721 -0.097 1.00 0.19 C ATOM 76 C TYR A 6 -1.413 -10.826 0.362 1.00 0.19 C ATOM 77 O TYR A 6 -1.038 -10.241 1.372 1.00 0.23 O ATOM 78 CB TYR A 6 -3.033 -9.422 -0.880 1.00 0.22 C ATOM 79 CG TYR A 6 -4.444 -9.157 -1.345 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.912 -9.689 -2.536 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.305 -8.364 -0.596 1.00 1.25 C ATOM 82 CE1 TYR A 6 -6.195 -9.438 -2.972 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.593 -8.111 -1.024 1.00 1.29 C ATOM 84 CZ TYR A 6 -7.031 -8.649 -2.213 1.00 0.35 C ATOM 85 OH TYR A 6 -8.310 -8.401 -2.644 1.00 0.44 O ATOM 0 H TYR A 6 -3.523 -10.111 1.788 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.098 -11.566 -0.742 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.708 -8.590 -0.256 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.376 -9.445 -1.749 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.260 -10.311 -3.132 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -4.961 -7.939 0.335 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -6.543 -9.858 -3.904 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -7.252 -7.495 -0.430 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.816 -7.961 -1.930 1.00 0.44 H new ATOM 95 N GLU A 7 -0.612 -11.575 -0.380 1.00 0.19 N ATOM 96 CA GLU A 7 0.798 -11.736 -0.065 1.00 0.21 C ATOM 97 C GLU A 7 1.631 -11.345 -1.277 1.00 0.19 C ATOM 98 O GLU A 7 1.156 -11.448 -2.410 1.00 0.22 O ATOM 99 CB GLU A 7 1.104 -13.171 0.376 1.00 0.26 C ATOM 100 CG GLU A 7 0.746 -13.420 1.835 1.00 0.33 C ATOM 101 CD GLU A 7 0.895 -14.864 2.262 1.00 0.59 C ATOM 102 OE1 GLU A 7 2.000 -15.429 2.116 1.00 1.41 O ATOM 103 OE2 GLU A 7 -0.091 -15.442 2.773 1.00 1.20 O ATOM 0 H GLU A 7 -0.918 -12.084 -1.210 1.00 0.19 H new ATOM 0 HA GLU A 7 1.054 -11.082 0.769 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.551 -13.867 -0.255 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.164 -13.376 0.225 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.379 -12.797 2.466 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.283 -13.105 2.006 1.00 0.33 H new ATOM 110 N PHE A 8 2.854 -10.881 -1.027 1.00 0.23 N ATOM 111 CA PHE A 8 3.756 -10.436 -2.088 1.00 0.25 C ATOM 112 C PHE A 8 3.847 -11.451 -3.226 1.00 0.24 C ATOM 113 O PHE A 8 4.263 -12.596 -3.029 1.00 0.33 O ATOM 114 CB PHE A 8 5.153 -10.166 -1.520 1.00 0.33 C ATOM 115 CG PHE A 8 6.075 -9.469 -2.486 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.711 -10.176 -3.495 1.00 1.55 C ATOM 117 CD2 PHE A 8 6.297 -8.104 -2.390 1.00 1.32 C ATOM 118 CE1 PHE A 8 7.548 -9.539 -4.386 1.00 1.86 C ATOM 119 CE2 PHE A 8 7.135 -7.461 -3.281 1.00 1.57 C ATOM 120 CZ PHE A 8 7.759 -8.180 -4.281 1.00 1.49 C ATOM 0 H PHE A 8 3.246 -10.803 -0.089 1.00 0.23 H new ATOM 0 HA PHE A 8 3.344 -9.514 -2.497 1.00 0.25 H new ATOM 0 HB2 PHE A 8 5.058 -9.559 -0.620 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.603 -11.113 -1.221 1.00 0.33 H new ATOM 0 HD1 PHE A 8 6.548 -11.240 -3.584 1.00 1.55 H new ATOM 0 HD2 PHE A 8 5.810 -7.537 -1.611 1.00 1.32 H new ATOM 0 HE1 PHE A 8 8.038 -10.103 -5.165 1.00 1.86 H new ATOM 0 HE2 PHE A 8 7.302 -6.397 -3.195 1.00 1.57 H new ATOM 0 HZ PHE A 8 8.412 -7.679 -4.980 1.00 1.49 H new ATOM 130 N GLU A 9 3.452 -11.013 -4.412 1.00 0.25 N ATOM 131 CA GLU A 9 3.491 -11.847 -5.602 1.00 0.26 C ATOM 132 C GLU A 9 4.580 -11.337 -6.548 1.00 0.28 C ATOM 133 O GLU A 9 5.407 -12.109 -7.037 1.00 0.34 O ATOM 134 CB GLU A 9 2.118 -11.849 -6.291 1.00 0.27 C ATOM 135 CG GLU A 9 2.108 -12.517 -7.655 1.00 0.35 C ATOM 136 CD GLU A 9 1.300 -13.797 -7.680 1.00 0.61 C ATOM 137 OE1 GLU A 9 0.062 -13.726 -7.563 1.00 1.46 O ATOM 138 OE2 GLU A 9 1.904 -14.878 -7.840 1.00 1.19 O ATOM 0 H GLU A 9 3.096 -10.071 -4.576 1.00 0.25 H new ATOM 0 HA GLU A 9 3.728 -12.873 -5.321 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.401 -12.355 -5.645 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.777 -10.819 -6.400 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.702 -11.823 -8.391 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.133 -12.735 -7.954 1.00 0.35 H new ATOM 145 N SER A 10 4.588 -10.024 -6.781 1.00 0.26 N ATOM 146 CA SER A 10 5.568 -9.390 -7.660 1.00 0.29 C ATOM 147 C SER A 10 5.630 -7.887 -7.386 1.00 0.27 C ATOM 148 O SER A 10 4.831 -7.365 -6.601 1.00 0.32 O ATOM 149 CB SER A 10 5.208 -9.632 -9.128 1.00 0.34 C ATOM 150 OG SER A 10 5.384 -10.996 -9.487 1.00 1.01 O ATOM 0 H SER A 10 3.919 -9.374 -6.368 1.00 0.26 H new ATOM 0 HA SER A 10 6.544 -9.831 -7.459 1.00 0.29 H new ATOM 0 HB2 SER A 10 4.173 -9.339 -9.304 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.830 -9.003 -9.765 1.00 0.34 H new ATOM 0 HG SER A 10 5.683 -11.504 -8.704 1.00 1.01 H new ATOM 156 N ASP A 11 6.567 -7.201 -8.037 1.00 0.28 N ATOM 157 CA ASP A 11 6.740 -5.760 -7.876 1.00 0.28 C ATOM 158 C ASP A 11 7.444 -5.188 -9.101 1.00 0.28 C ATOM 159 O ASP A 11 8.028 -5.933 -9.896 1.00 0.34 O ATOM 160 CB ASP A 11 7.536 -5.432 -6.599 1.00 0.32 C ATOM 161 CG ASP A 11 9.038 -5.337 -6.827 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.524 -4.234 -7.148 1.00 1.72 O ATOM 163 OD2 ASP A 11 9.738 -6.365 -6.683 1.00 1.71 O ATOM 0 H ASP A 11 7.226 -7.627 -8.689 1.00 0.28 H new ATOM 0 HA ASP A 11 5.755 -5.304 -7.779 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.178 -4.487 -6.190 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.338 -6.199 -5.850 1.00 0.32 H new ATOM 168 N GLU A 12 7.377 -3.875 -9.260 1.00 0.26 N ATOM 169 CA GLU A 12 7.999 -3.202 -10.387 1.00 0.27 C ATOM 170 C GLU A 12 8.398 -1.782 -10.006 1.00 0.25 C ATOM 171 O GLU A 12 7.647 -1.082 -9.321 1.00 0.26 O ATOM 172 CB GLU A 12 7.040 -3.176 -11.579 1.00 0.32 C ATOM 173 CG GLU A 12 7.436 -2.206 -12.686 1.00 0.38 C ATOM 174 CD GLU A 12 6.366 -2.066 -13.750 1.00 0.57 C ATOM 175 OE1 GLU A 12 5.872 -3.103 -14.244 1.00 1.00 O ATOM 176 OE2 GLU A 12 6.009 -0.919 -14.102 1.00 1.44 O ATOM 0 H GLU A 12 6.893 -3.250 -8.615 1.00 0.26 H new ATOM 0 HA GLU A 12 8.897 -3.752 -10.667 1.00 0.27 H new ATOM 0 HB2 GLU A 12 6.974 -4.180 -11.999 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.044 -2.914 -11.222 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.640 -1.228 -12.251 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.361 -2.548 -13.150 1.00 0.38 H new ATOM 183 N ASN A 13 9.577 -1.381 -10.468 1.00 0.25 N ATOM 184 CA ASN A 13 10.132 -0.047 -10.215 1.00 0.25 C ATOM 185 C ASN A 13 10.381 0.194 -8.733 1.00 0.23 C ATOM 186 O ASN A 13 10.265 1.325 -8.258 1.00 0.30 O ATOM 187 CB ASN A 13 9.215 1.053 -10.757 1.00 0.29 C ATOM 188 CG ASN A 13 9.582 1.497 -12.156 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.755 1.520 -12.533 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.577 1.869 -12.932 1.00 0.84 N ATOM 0 H ASN A 13 10.183 -1.974 -11.034 1.00 0.25 H new ATOM 0 HA ASN A 13 11.087 -0.009 -10.740 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.186 0.694 -10.755 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.254 1.912 -10.088 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.759 2.191 -13.883 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.620 1.834 -12.579 1.00 0.84 H new ATOM 197 N TYR A 14 10.749 -0.859 -8.011 1.00 0.23 N ATOM 198 CA TYR A 14 11.008 -0.741 -6.583 1.00 0.25 C ATOM 199 C TYR A 14 12.156 0.216 -6.306 1.00 0.23 C ATOM 200 O TYR A 14 11.984 1.219 -5.614 1.00 0.22 O ATOM 201 CB TYR A 14 11.335 -2.100 -5.961 1.00 0.32 C ATOM 202 CG TYR A 14 11.588 -2.009 -4.471 1.00 0.44 C ATOM 203 CD1 TYR A 14 10.532 -1.872 -3.577 1.00 1.28 C ATOM 204 CD2 TYR A 14 12.883 -2.029 -3.960 1.00 1.30 C ATOM 205 CE1 TYR A 14 10.757 -1.754 -2.222 1.00 1.39 C ATOM 206 CE2 TYR A 14 13.113 -1.916 -2.604 1.00 1.36 C ATOM 207 CZ TYR A 14 12.047 -1.777 -1.740 1.00 0.78 C ATOM 208 OH TYR A 14 12.272 -1.649 -0.393 1.00 0.98 O ATOM 0 H TYR A 14 10.874 -1.798 -8.389 1.00 0.23 H new ATOM 0 HA TYR A 14 10.096 -0.350 -6.131 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.510 -2.788 -6.145 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.214 -2.518 -6.451 1.00 0.32 H new ATOM 0 HD1 TYR A 14 9.519 -1.858 -3.950 1.00 1.28 H new ATOM 0 HD2 TYR A 14 13.720 -2.134 -4.635 1.00 1.30 H new ATOM 0 HE1 TYR A 14 9.926 -1.644 -1.542 1.00 1.39 H new ATOM 0 HE2 TYR A 14 14.123 -1.936 -2.221 1.00 1.36 H new ATOM 0 HH TYR A 14 11.567 -2.116 0.102 1.00 0.98 H new ATOM 218 N ASP A 15 13.323 -0.106 -6.851 1.00 0.25 N ATOM 219 CA ASP A 15 14.523 0.709 -6.657 1.00 0.26 C ATOM 220 C ASP A 15 14.280 2.150 -7.069 1.00 0.25 C ATOM 221 O ASP A 15 14.672 3.081 -6.371 1.00 0.26 O ATOM 222 CB ASP A 15 15.699 0.156 -7.455 1.00 0.33 C ATOM 223 CG ASP A 15 15.850 -1.345 -7.313 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.193 -2.085 -8.076 1.00 1.30 O ATOM 225 OD2 ASP A 15 16.626 -1.791 -6.439 1.00 1.18 O ATOM 0 H ASP A 15 13.467 -0.930 -7.435 1.00 0.25 H new ATOM 0 HA ASP A 15 14.762 0.675 -5.594 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.567 0.405 -8.508 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.617 0.642 -7.125 1.00 0.33 H new ATOM 230 N ASP A 16 13.630 2.325 -8.208 1.00 0.25 N ATOM 231 CA ASP A 16 13.322 3.654 -8.722 1.00 0.26 C ATOM 232 C ASP A 16 12.429 4.413 -7.745 1.00 0.25 C ATOM 233 O ASP A 16 12.664 5.583 -7.455 1.00 0.29 O ATOM 234 CB ASP A 16 12.623 3.545 -10.073 1.00 0.29 C ATOM 235 CG ASP A 16 13.583 3.323 -11.221 1.00 0.72 C ATOM 236 OD1 ASP A 16 13.941 2.156 -11.482 1.00 1.46 O ATOM 237 OD2 ASP A 16 13.969 4.308 -11.879 1.00 1.20 O ATOM 0 H ASP A 16 13.303 1.560 -8.799 1.00 0.25 H new ATOM 0 HA ASP A 16 14.258 4.200 -8.842 1.00 0.26 H new ATOM 0 HB2 ASP A 16 11.908 2.723 -10.040 1.00 0.29 H new ATOM 0 HB3 ASP A 16 12.053 4.456 -10.255 1.00 0.29 H new ATOM 242 N PHE A 17 11.419 3.726 -7.238 1.00 0.21 N ATOM 243 CA PHE A 17 10.473 4.312 -6.297 1.00 0.21 C ATOM 244 C PHE A 17 11.163 4.736 -5.007 1.00 0.20 C ATOM 245 O PHE A 17 11.096 5.900 -4.610 1.00 0.23 O ATOM 246 CB PHE A 17 9.372 3.300 -5.983 1.00 0.21 C ATOM 247 CG PHE A 17 8.277 3.840 -5.112 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.371 4.760 -5.609 1.00 1.17 C ATOM 249 CD2 PHE A 17 8.146 3.415 -3.799 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.358 5.249 -4.815 1.00 1.19 C ATOM 251 CE2 PHE A 17 7.133 3.903 -2.998 1.00 1.24 C ATOM 252 CZ PHE A 17 6.236 4.820 -3.507 1.00 0.38 C ATOM 0 H PHE A 17 11.230 2.750 -7.465 1.00 0.21 H new ATOM 0 HA PHE A 17 10.041 5.201 -6.757 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.938 2.949 -6.919 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.818 2.434 -5.494 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.459 5.098 -6.631 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.844 2.695 -3.398 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.658 5.968 -5.215 1.00 1.19 H new ATOM 0 HE2 PHE A 17 7.043 3.568 -1.975 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.440 5.202 -2.884 1.00 0.38 H new ATOM 262 N VAL A 18 11.846 3.793 -4.368 1.00 0.19 N ATOM 263 CA VAL A 18 12.527 4.068 -3.110 1.00 0.21 C ATOM 264 C VAL A 18 13.589 5.157 -3.273 1.00 0.23 C ATOM 265 O VAL A 18 13.774 5.984 -2.380 1.00 0.26 O ATOM 266 CB VAL A 18 13.149 2.790 -2.499 1.00 0.23 C ATOM 267 CG1 VAL A 18 12.056 1.793 -2.126 1.00 0.25 C ATOM 268 CG2 VAL A 18 14.156 2.161 -3.447 1.00 0.23 C ATOM 0 H VAL A 18 11.942 2.833 -4.700 1.00 0.19 H new ATOM 0 HA VAL A 18 11.769 4.433 -2.417 1.00 0.21 H new ATOM 0 HB VAL A 18 13.683 3.073 -1.592 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.510 0.899 -1.698 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.385 2.245 -1.396 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.492 1.521 -3.018 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.576 1.265 -2.990 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.660 1.894 -4.380 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.956 2.872 -3.652 1.00 0.23 H new ATOM 278 N LYS A 19 14.265 5.181 -4.417 1.00 0.24 N ATOM 279 CA LYS A 19 15.285 6.192 -4.666 1.00 0.29 C ATOM 280 C LYS A 19 14.647 7.547 -4.962 1.00 0.30 C ATOM 281 O LYS A 19 15.214 8.592 -4.644 1.00 0.34 O ATOM 282 CB LYS A 19 16.197 5.768 -5.819 1.00 0.33 C ATOM 283 CG LYS A 19 17.213 4.698 -5.438 1.00 0.41 C ATOM 284 CD LYS A 19 18.365 5.279 -4.624 1.00 0.54 C ATOM 285 CE LYS A 19 18.222 4.988 -3.135 1.00 0.87 C ATOM 286 NZ LYS A 19 19.312 5.615 -2.338 1.00 1.18 N ATOM 0 H LYS A 19 14.127 4.518 -5.180 1.00 0.24 H new ATOM 0 HA LYS A 19 15.890 6.289 -3.765 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.582 5.396 -6.639 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.728 6.644 -6.191 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.719 3.915 -4.862 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.605 4.230 -6.341 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.307 4.866 -4.984 1.00 0.54 H new ATOM 0 HD3 LYS A 19 18.410 6.357 -4.779 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.258 5.357 -2.784 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.229 3.910 -2.974 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 19.178 5.393 -1.331 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.231 5.245 -2.655 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.290 6.646 -2.471 1.00 1.18 H new ATOM 300 N LYS A 20 13.463 7.523 -5.552 1.00 0.29 N ATOM 301 CA LYS A 20 12.755 8.750 -5.889 1.00 0.32 C ATOM 302 C LYS A 20 12.187 9.414 -4.641 1.00 0.31 C ATOM 303 O LYS A 20 12.325 10.624 -4.457 1.00 0.36 O ATOM 304 CB LYS A 20 11.632 8.465 -6.889 1.00 0.35 C ATOM 305 CG LYS A 20 11.037 9.715 -7.515 1.00 0.58 C ATOM 306 CD LYS A 20 12.061 10.458 -8.363 1.00 0.73 C ATOM 307 CE LYS A 20 11.426 11.609 -9.126 1.00 0.71 C ATOM 308 NZ LYS A 20 12.406 12.302 -10.001 1.00 0.88 N ATOM 0 H LYS A 20 12.971 6.667 -5.808 1.00 0.29 H new ATOM 0 HA LYS A 20 13.470 9.434 -6.347 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.017 7.822 -7.680 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.841 7.911 -6.384 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.182 9.442 -8.133 1.00 0.58 H new ATOM 0 HG3 LYS A 20 10.666 10.374 -6.730 1.00 0.58 H new ATOM 0 HD2 LYS A 20 12.856 10.840 -7.723 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.523 9.765 -9.066 1.00 0.73 H new ATOM 0 HE2 LYS A 20 10.602 11.232 -9.732 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.002 12.323 -8.420 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 11.933 13.080 -10.504 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.180 12.684 -9.421 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 12.792 11.628 -10.692 1.00 0.88 H new ATOM 322 N ILE A 21 11.561 8.622 -3.774 1.00 0.28 N ATOM 323 CA ILE A 21 10.981 9.153 -2.546 1.00 0.30 C ATOM 324 C ILE A 21 12.069 9.480 -1.527 1.00 0.32 C ATOM 325 O ILE A 21 11.819 10.158 -0.527 1.00 0.39 O ATOM 326 CB ILE A 21 9.963 8.178 -1.910 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.607 6.816 -1.641 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.737 8.030 -2.805 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.779 5.912 -0.747 1.00 0.30 C ATOM 0 H ILE A 21 11.443 7.617 -3.899 1.00 0.28 H new ATOM 0 HA ILE A 21 10.452 10.065 -2.823 1.00 0.30 H new ATOM 0 HB ILE A 21 9.643 8.592 -0.954 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.779 6.312 -2.592 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.583 6.971 -1.181 1.00 0.24 H new ATOM 0 HG21 ILE A 21 8.030 7.341 -2.343 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.262 9.003 -2.936 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.041 7.641 -3.777 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.301 4.966 -0.603 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.628 6.394 0.219 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.812 5.725 -1.214 1.00 0.30 H new ATOM 341 N GLY A 22 13.281 9.003 -1.790 1.00 0.31 N ATOM 342 CA GLY A 22 14.393 9.265 -0.902 1.00 0.36 C ATOM 343 C GLY A 22 14.378 8.386 0.329 1.00 0.34 C ATOM 344 O GLY A 22 14.746 8.830 1.419 1.00 0.39 O ATOM 0 H GLY A 22 13.511 8.437 -2.607 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.327 9.111 -1.442 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.370 10.311 -0.597 1.00 0.36 H new ATOM 348 N LEU A 23 13.950 7.146 0.158 1.00 0.28 N ATOM 349 CA LEU A 23 13.895 6.195 1.257 1.00 0.27 C ATOM 350 C LEU A 23 15.311 5.818 1.689 1.00 0.28 C ATOM 351 O LEU A 23 16.168 5.551 0.846 1.00 0.28 O ATOM 352 CB LEU A 23 13.128 4.943 0.815 1.00 0.24 C ATOM 353 CG LEU A 23 12.700 3.989 1.936 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.662 4.638 2.832 1.00 0.31 C ATOM 355 CD2 LEU A 23 12.143 2.704 1.350 1.00 0.25 C ATOM 0 H LEU A 23 13.634 6.772 -0.737 1.00 0.28 H new ATOM 0 HA LEU A 23 13.379 6.650 2.103 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.237 5.259 0.273 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.749 4.390 0.111 1.00 0.24 H new ATOM 0 HG LEU A 23 13.580 3.757 2.536 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.374 3.941 3.619 1.00 0.31 H new ATOM 0 HD12 LEU A 23 12.080 5.539 3.280 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.784 4.900 2.241 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.843 2.036 2.157 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.278 2.933 0.728 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.908 2.219 0.743 1.00 0.25 H new ATOM 367 N PRO A 24 15.592 5.829 3.000 1.00 0.30 N ATOM 368 CA PRO A 24 16.911 5.463 3.517 1.00 0.32 C ATOM 369 C PRO A 24 17.222 3.993 3.263 1.00 0.30 C ATOM 370 O PRO A 24 16.338 3.140 3.377 1.00 0.28 O ATOM 371 CB PRO A 24 16.799 5.723 5.018 1.00 0.37 C ATOM 372 CG PRO A 24 15.344 5.702 5.312 1.00 0.36 C ATOM 373 CD PRO A 24 14.665 6.216 4.079 1.00 0.33 C ATOM 0 HA PRO A 24 17.710 6.028 3.037 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.327 4.960 5.590 1.00 0.37 H new ATOM 0 HB3 PRO A 24 17.240 6.683 5.285 1.00 0.37 H new ATOM 0 HG2 PRO A 24 15.009 4.692 5.550 1.00 0.36 H new ATOM 0 HG3 PRO A 24 15.111 6.327 6.174 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.681 5.768 3.945 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.521 7.296 4.119 1.00 0.33 H new ATOM 381 N ALA A 25 18.479 3.709 2.931 1.00 0.32 N ATOM 382 CA ALA A 25 18.932 2.346 2.651 1.00 0.34 C ATOM 383 C ALA A 25 18.555 1.387 3.771 1.00 0.35 C ATOM 384 O ALA A 25 18.192 0.237 3.523 1.00 0.36 O ATOM 385 CB ALA A 25 20.439 2.328 2.447 1.00 0.39 C ATOM 0 H ALA A 25 19.212 4.414 2.848 1.00 0.32 H new ATOM 0 HA ALA A 25 18.434 2.014 1.740 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.766 1.309 2.239 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.700 2.971 1.607 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.933 2.691 3.349 1.00 0.39 H new ATOM 391 N ASP A 26 18.638 1.879 5.001 1.00 0.37 N ATOM 392 CA ASP A 26 18.320 1.085 6.178 1.00 0.40 C ATOM 393 C ASP A 26 16.898 0.535 6.117 1.00 0.38 C ATOM 394 O ASP A 26 16.639 -0.586 6.548 1.00 0.42 O ATOM 395 CB ASP A 26 18.497 1.924 7.444 1.00 0.46 C ATOM 396 CG ASP A 26 19.930 2.368 7.635 1.00 1.27 C ATOM 397 OD1 ASP A 26 20.716 1.601 8.233 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.275 3.477 7.178 1.00 2.03 O ATOM 0 H ASP A 26 18.926 2.835 5.209 1.00 0.37 H new ATOM 0 HA ASP A 26 19.008 0.240 6.202 1.00 0.40 H new ATOM 0 HB2 ASP A 26 17.850 2.800 7.392 1.00 0.46 H new ATOM 0 HB3 ASP A 26 18.179 1.344 8.310 1.00 0.46 H new ATOM 403 N LYS A 27 15.975 1.327 5.585 1.00 0.35 N ATOM 404 CA LYS A 27 14.590 0.895 5.473 1.00 0.36 C ATOM 405 C LYS A 27 14.370 0.157 4.162 1.00 0.32 C ATOM 406 O LYS A 27 13.593 -0.793 4.101 1.00 0.33 O ATOM 407 CB LYS A 27 13.640 2.084 5.554 1.00 0.39 C ATOM 408 CG LYS A 27 13.733 2.859 6.860 1.00 0.41 C ATOM 409 CD LYS A 27 13.338 1.997 8.052 1.00 0.48 C ATOM 410 CE LYS A 27 12.878 2.846 9.225 1.00 0.72 C ATOM 411 NZ LYS A 27 12.713 2.050 10.470 1.00 0.94 N ATOM 0 H LYS A 27 16.159 2.264 5.227 1.00 0.35 H new ATOM 0 HA LYS A 27 14.381 0.223 6.305 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.849 2.761 4.726 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.617 1.729 5.425 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.751 3.224 6.996 1.00 0.41 H new ATOM 0 HG3 LYS A 27 13.084 3.734 6.812 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.540 1.315 7.760 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.186 1.384 8.356 1.00 0.48 H new ATOM 0 HE2 LYS A 27 13.601 3.643 9.399 1.00 0.72 H new ATOM 0 HE3 LYS A 27 11.931 3.324 8.975 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 12.398 2.673 11.241 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 12.003 1.306 10.315 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 13.622 1.614 10.726 1.00 0.94 H new ATOM 425 N ILE A 28 15.063 0.606 3.121 1.00 0.30 N ATOM 426 CA ILE A 28 14.955 0.002 1.799 1.00 0.29 C ATOM 427 C ILE A 28 15.303 -1.484 1.857 1.00 0.34 C ATOM 428 O ILE A 28 14.490 -2.335 1.517 1.00 0.37 O ATOM 429 CB ILE A 28 15.903 0.681 0.777 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.453 2.105 0.463 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.987 -0.136 -0.501 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.363 2.822 -0.517 1.00 0.26 C ATOM 0 H ILE A 28 15.710 1.393 3.169 1.00 0.30 H new ATOM 0 HA ILE A 28 13.923 0.138 1.476 1.00 0.29 H new ATOM 0 HB ILE A 28 16.894 0.731 1.229 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.442 2.077 0.056 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.407 2.677 1.390 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.657 0.358 -1.205 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.370 -1.131 -0.272 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.995 -0.222 -0.944 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.985 3.829 -0.695 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.369 2.881 -0.103 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.389 2.272 -1.458 1.00 0.26 H new ATOM 444 N GLU A 29 16.514 -1.777 2.317 1.00 0.37 N ATOM 445 CA GLU A 29 16.998 -3.150 2.412 1.00 0.44 C ATOM 446 C GLU A 29 16.167 -3.965 3.391 1.00 0.43 C ATOM 447 O GLU A 29 16.056 -5.186 3.263 1.00 0.47 O ATOM 448 CB GLU A 29 18.468 -3.162 2.835 1.00 0.52 C ATOM 449 CG GLU A 29 19.370 -2.372 1.904 1.00 0.55 C ATOM 450 CD GLU A 29 19.809 -3.170 0.696 1.00 0.94 C ATOM 451 OE1 GLU A 29 19.023 -3.294 -0.260 1.00 1.73 O ATOM 452 OE2 GLU A 29 20.951 -3.677 0.703 1.00 1.41 O ATOM 0 H GLU A 29 17.184 -1.076 2.633 1.00 0.37 H new ATOM 0 HA GLU A 29 16.903 -3.608 1.427 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.552 -2.754 3.842 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.817 -4.194 2.879 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.846 -1.476 1.571 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.251 -2.040 2.454 1.00 0.55 H new ATOM 459 N MET A 30 15.581 -3.286 4.361 1.00 0.41 N ATOM 460 CA MET A 30 14.757 -3.945 5.355 1.00 0.43 C ATOM 461 C MET A 30 13.405 -4.329 4.753 1.00 0.40 C ATOM 462 O MET A 30 12.858 -5.388 5.058 1.00 0.41 O ATOM 463 CB MET A 30 14.564 -3.032 6.569 1.00 0.45 C ATOM 464 CG MET A 30 13.819 -3.682 7.721 1.00 0.46 C ATOM 465 SD MET A 30 14.732 -5.049 8.455 1.00 0.63 S ATOM 466 CE MET A 30 13.724 -6.427 7.923 1.00 0.97 C ATOM 0 H MET A 30 15.662 -2.276 4.481 1.00 0.41 H new ATOM 0 HA MET A 30 15.260 -4.855 5.681 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.541 -2.703 6.922 1.00 0.45 H new ATOM 0 HB3 MET A 30 14.021 -2.140 6.257 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.617 -2.933 8.486 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.854 -4.044 7.366 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.348 -6.961 8.796 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.885 -6.058 7.334 1.00 0.97 H new ATOM 0 HE3 MET A 30 14.324 -7.104 7.315 1.00 0.97 H new ATOM 476 N GLY A 31 12.883 -3.474 3.883 1.00 0.39 N ATOM 477 CA GLY A 31 11.603 -3.741 3.258 1.00 0.39 C ATOM 478 C GLY A 31 11.704 -3.965 1.761 1.00 0.43 C ATOM 479 O GLY A 31 10.852 -3.497 1.006 1.00 0.51 O ATOM 0 H GLY A 31 13.324 -2.599 3.599 1.00 0.39 H new ATOM 0 HA2 GLY A 31 11.156 -4.621 3.721 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.931 -2.904 3.449 1.00 0.39 H new ATOM 483 N ARG A 32 12.734 -4.676 1.319 1.00 0.43 N ATOM 484 CA ARG A 32 12.899 -4.940 -0.104 1.00 0.50 C ATOM 485 C ARG A 32 12.456 -6.359 -0.450 1.00 0.44 C ATOM 486 O ARG A 32 12.993 -7.336 0.071 1.00 0.49 O ATOM 487 CB ARG A 32 14.352 -4.696 -0.552 1.00 0.60 C ATOM 488 CG ARG A 32 15.372 -5.639 0.062 1.00 0.78 C ATOM 489 CD ARG A 32 16.776 -5.369 -0.468 1.00 0.71 C ATOM 490 NE ARG A 32 17.093 -6.188 -1.640 1.00 1.31 N ATOM 491 CZ ARG A 32 18.308 -6.269 -2.192 1.00 1.49 C ATOM 492 NH1 ARG A 32 19.300 -5.500 -1.753 1.00 1.65 N ATOM 493 NH2 ARG A 32 18.519 -7.097 -3.210 1.00 2.27 N ATOM 0 H ARG A 32 13.458 -5.075 1.916 1.00 0.43 H new ATOM 0 HA ARG A 32 12.261 -4.243 -0.647 1.00 0.50 H new ATOM 0 HB2 ARG A 32 14.403 -4.784 -1.637 1.00 0.60 H new ATOM 0 HB3 ARG A 32 14.628 -3.672 -0.302 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.364 -5.528 1.146 1.00 0.78 H new ATOM 0 HG3 ARG A 32 15.092 -6.670 -0.155 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.867 -4.315 -0.729 1.00 0.71 H new ATOM 0 HD3 ARG A 32 17.504 -5.567 0.319 1.00 0.71 H new ATOM 0 HE ARG A 32 16.339 -6.731 -2.062 1.00 1.31 H new ATOM 0 HH11 ARG A 32 19.137 -4.843 -0.990 1.00 1.65 H new ATOM 0 HH12 ARG A 32 20.224 -5.567 -2.179 1.00 1.65 H new ATOM 0 HH21 ARG A 32 17.755 -7.669 -3.569 1.00 2.27 H new ATOM 0 HH22 ARG A 32 19.445 -7.160 -3.632 1.00 2.27 H new ATOM 507 N ASN A 33 11.433 -6.452 -1.303 1.00 0.53 N ATOM 508 CA ASN A 33 10.892 -7.737 -1.759 1.00 0.67 C ATOM 509 C ASN A 33 10.370 -8.583 -0.601 1.00 0.59 C ATOM 510 O ASN A 33 10.259 -9.804 -0.706 1.00 0.69 O ATOM 511 CB ASN A 33 11.945 -8.516 -2.555 1.00 0.80 C ATOM 512 CG ASN A 33 11.640 -8.530 -4.040 1.00 1.23 C ATOM 513 OD1 ASN A 33 11.111 -9.508 -4.573 1.00 1.72 O ATOM 514 ND2 ASN A 33 11.975 -7.446 -4.721 1.00 1.78 N ATOM 0 H ASN A 33 10.956 -5.641 -1.697 1.00 0.53 H new ATOM 0 HA ASN A 33 10.047 -7.516 -2.411 1.00 0.67 H new ATOM 0 HB2 ASN A 33 12.926 -8.071 -2.391 1.00 0.80 H new ATOM 0 HB3 ASN A 33 11.994 -9.540 -2.185 1.00 0.80 H new ATOM 0 HD21 ASN A 33 11.797 -7.399 -5.724 1.00 1.78 H new ATOM 0 HD22 ASN A 33 12.411 -6.658 -4.243 1.00 1.78 H new ATOM 521 N CYS A 34 10.043 -7.928 0.504 1.00 0.47 N ATOM 522 CA CYS A 34 9.528 -8.613 1.676 1.00 0.41 C ATOM 523 C CYS A 34 8.068 -8.993 1.462 1.00 0.41 C ATOM 524 O CYS A 34 7.334 -8.297 0.760 1.00 0.48 O ATOM 525 CB CYS A 34 9.682 -7.727 2.912 1.00 0.38 C ATOM 526 SG CYS A 34 11.391 -7.259 3.261 1.00 1.16 S ATOM 0 H CYS A 34 10.127 -6.917 0.611 1.00 0.47 H new ATOM 0 HA CYS A 34 10.101 -9.527 1.834 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.087 -6.823 2.777 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.274 -8.251 3.777 1.00 0.38 H new ATOM 0 HG CYS A 34 11.432 -6.545 4.347 1.00 1.16 H new ATOM 532 N LYS A 35 7.651 -10.098 2.054 1.00 0.39 N ATOM 533 CA LYS A 35 6.280 -10.561 1.900 1.00 0.42 C ATOM 534 C LYS A 35 5.333 -9.829 2.847 1.00 0.38 C ATOM 535 O LYS A 35 4.997 -10.325 3.920 1.00 0.40 O ATOM 536 CB LYS A 35 6.182 -12.077 2.100 1.00 0.47 C ATOM 537 CG LYS A 35 7.005 -12.612 3.262 1.00 0.48 C ATOM 538 CD LYS A 35 6.886 -14.124 3.373 1.00 1.13 C ATOM 539 CE LYS A 35 7.959 -14.842 2.560 1.00 1.64 C ATOM 540 NZ LYS A 35 7.839 -14.593 1.096 1.00 2.49 N ATOM 0 H LYS A 35 8.237 -10.690 2.643 1.00 0.39 H new ATOM 0 HA LYS A 35 5.973 -10.333 0.879 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.137 -12.344 2.258 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.503 -12.574 1.184 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.051 -12.336 3.127 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.671 -12.150 4.191 1.00 0.48 H new ATOM 0 HD2 LYS A 35 6.966 -14.418 4.419 1.00 1.13 H new ATOM 0 HD3 LYS A 35 5.900 -14.437 3.029 1.00 1.13 H new ATOM 0 HE2 LYS A 35 8.943 -14.518 2.899 1.00 1.64 H new ATOM 0 HE3 LYS A 35 7.894 -15.914 2.748 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 8.400 -15.298 0.577 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 6.841 -14.667 0.812 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 8.191 -13.640 0.876 1.00 2.49 H new ATOM 554 N ILE A 36 4.922 -8.636 2.447 1.00 0.36 N ATOM 555 CA ILE A 36 3.996 -7.850 3.242 1.00 0.34 C ATOM 556 C ILE A 36 2.571 -8.313 2.975 1.00 0.33 C ATOM 557 O ILE A 36 2.059 -8.171 1.861 1.00 0.41 O ATOM 558 CB ILE A 36 4.109 -6.333 2.943 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.395 -5.756 3.540 1.00 0.65 C ATOM 560 CG2 ILE A 36 2.908 -5.581 3.505 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.608 -5.878 2.651 1.00 0.66 C ATOM 0 H ILE A 36 5.216 -8.192 1.577 1.00 0.36 H new ATOM 0 HA ILE A 36 4.254 -8.002 4.290 1.00 0.34 H new ATOM 0 HB ILE A 36 4.132 -6.210 1.860 1.00 0.41 H new ATOM 0 HG12 ILE A 36 5.233 -4.703 3.770 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.600 -6.260 4.484 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.008 -4.518 3.284 1.00 0.32 H new ATOM 0 HG22 ILE A 36 1.994 -5.962 3.049 1.00 0.32 H new ATOM 0 HG23 ILE A 36 2.862 -5.724 4.585 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.472 -5.444 3.153 1.00 0.66 H new ATOM 0 HD12 ILE A 36 6.801 -6.930 2.441 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.428 -5.348 1.715 1.00 0.66 H new ATOM 573 N VAL A 37 1.943 -8.879 3.993 1.00 0.29 N ATOM 574 CA VAL A 37 0.582 -9.369 3.866 1.00 0.29 C ATOM 575 C VAL A 37 -0.405 -8.218 3.975 1.00 0.30 C ATOM 576 O VAL A 37 -0.255 -7.345 4.825 1.00 0.37 O ATOM 577 CB VAL A 37 0.247 -10.424 4.940 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.043 -11.161 4.594 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.399 -11.403 5.108 1.00 0.32 C ATOM 0 H VAL A 37 2.355 -9.010 4.917 1.00 0.29 H new ATOM 0 HA VAL A 37 0.501 -9.839 2.886 1.00 0.29 H new ATOM 0 HB VAL A 37 0.097 -9.908 5.888 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.258 -11.900 5.366 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.865 -10.448 4.535 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.929 -11.663 3.633 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.143 -12.139 5.870 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.586 -11.911 4.162 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.295 -10.862 5.413 1.00 0.32 H new ATOM 589 N THR A 38 -1.382 -8.205 3.087 1.00 0.25 N ATOM 590 CA THR A 38 -2.406 -7.182 3.071 1.00 0.26 C ATOM 591 C THR A 38 -3.769 -7.808 3.337 1.00 0.24 C ATOM 592 O THR A 38 -4.307 -8.515 2.491 1.00 0.23 O ATOM 593 CB THR A 38 -2.419 -6.457 1.714 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.093 -6.003 1.409 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.382 -5.283 1.730 1.00 0.30 C ATOM 0 H THR A 38 -1.486 -8.907 2.355 1.00 0.25 H new ATOM 0 HA THR A 38 -2.186 -6.456 3.853 1.00 0.26 H new ATOM 0 HB THR A 38 -2.756 -7.155 0.947 1.00 0.27 H new ATOM 0 HG1 THR A 38 -0.851 -5.270 2.013 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.370 -4.790 0.758 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.389 -5.641 1.943 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.079 -4.574 2.500 1.00 0.30 H new ATOM 603 N GLU A 39 -4.311 -7.579 4.521 1.00 0.25 N ATOM 604 CA GLU A 39 -5.610 -8.133 4.875 1.00 0.25 C ATOM 605 C GLU A 39 -6.697 -7.071 4.771 1.00 0.24 C ATOM 606 O GLU A 39 -6.620 -6.023 5.420 1.00 0.28 O ATOM 607 CB GLU A 39 -5.575 -8.729 6.284 1.00 0.28 C ATOM 608 CG GLU A 39 -4.903 -10.087 6.344 1.00 0.38 C ATOM 609 CD GLU A 39 -5.883 -11.194 6.662 1.00 0.66 C ATOM 610 OE1 GLU A 39 -6.919 -11.293 5.973 1.00 1.39 O ATOM 611 OE2 GLU A 39 -5.625 -11.968 7.609 1.00 1.24 O ATOM 0 H GLU A 39 -3.875 -7.016 5.252 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.843 -8.930 4.169 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.051 -8.042 6.949 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.595 -8.819 6.658 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.420 -10.294 5.389 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -4.119 -10.070 7.101 1.00 0.38 H new ATOM 618 N VAL A 40 -7.691 -7.347 3.939 1.00 0.20 N ATOM 619 CA VAL A 40 -8.800 -6.432 3.718 1.00 0.20 C ATOM 620 C VAL A 40 -10.115 -7.039 4.172 1.00 0.21 C ATOM 621 O VAL A 40 -10.400 -8.205 3.891 1.00 0.20 O ATOM 622 CB VAL A 40 -8.934 -6.078 2.221 1.00 0.20 C ATOM 623 CG1 VAL A 40 -10.084 -5.114 1.983 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.631 -5.514 1.677 1.00 0.22 C ATOM 0 H VAL A 40 -7.751 -8.210 3.399 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.586 -5.535 4.299 1.00 0.20 H new ATOM 0 HB VAL A 40 -9.156 -6.999 1.681 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -10.152 -4.884 0.920 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -11.016 -5.570 2.316 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.910 -4.195 2.542 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.752 -5.273 0.621 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.367 -4.611 2.228 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.838 -6.253 1.792 1.00 0.22 H new ATOM 634 N VAL A 41 -10.902 -6.247 4.882 1.00 0.24 N ATOM 635 CA VAL A 41 -12.207 -6.679 5.342 1.00 0.27 C ATOM 636 C VAL A 41 -13.270 -5.749 4.749 1.00 0.29 C ATOM 637 O VAL A 41 -13.045 -4.543 4.619 1.00 0.31 O ATOM 638 CB VAL A 41 -12.294 -6.706 6.888 1.00 0.31 C ATOM 639 CG1 VAL A 41 -12.468 -5.311 7.465 1.00 0.70 C ATOM 640 CG2 VAL A 41 -13.421 -7.613 7.347 1.00 0.95 C ATOM 0 H VAL A 41 -10.655 -5.295 5.153 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.380 -7.701 5.004 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.350 -7.104 7.261 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -12.525 -5.371 8.552 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -11.618 -4.691 7.180 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.386 -4.869 7.078 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -13.464 -7.617 8.436 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -14.367 -7.248 6.948 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -13.242 -8.626 6.987 1.00 0.95 H new ATOM 650 N GLN A 42 -14.394 -6.316 4.342 1.00 0.31 N ATOM 651 CA GLN A 42 -15.473 -5.536 3.754 1.00 0.36 C ATOM 652 C GLN A 42 -16.383 -4.952 4.832 1.00 0.30 C ATOM 653 O GLN A 42 -16.963 -5.688 5.632 1.00 0.42 O ATOM 654 CB GLN A 42 -16.290 -6.416 2.801 1.00 0.53 C ATOM 655 CG GLN A 42 -17.560 -5.759 2.279 1.00 1.14 C ATOM 656 CD GLN A 42 -17.285 -4.682 1.250 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.296 -4.734 0.525 1.00 2.06 O ATOM 658 NE2 GLN A 42 -18.167 -3.699 1.178 1.00 1.59 N ATOM 0 H GLN A 42 -14.584 -7.316 4.408 1.00 0.31 H new ATOM 0 HA GLN A 42 -15.032 -4.708 3.198 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -15.663 -6.694 1.954 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.557 -7.339 3.316 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -18.202 -6.521 1.838 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -18.109 -5.325 3.115 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.976 -3.693 1.799 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.038 -2.947 0.501 1.00 1.59 H new ATOM 667 N ASN A 43 -16.503 -3.627 4.849 1.00 0.30 N ATOM 668 CA ASN A 43 -17.352 -2.944 5.819 1.00 0.37 C ATOM 669 C ASN A 43 -18.049 -1.754 5.164 1.00 0.34 C ATOM 670 O ASN A 43 -17.703 -0.599 5.418 1.00 0.37 O ATOM 671 CB ASN A 43 -16.512 -2.472 7.012 1.00 0.53 C ATOM 672 CG ASN A 43 -17.349 -1.888 8.132 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.461 -2.346 8.402 1.00 1.44 O ATOM 674 ND2 ASN A 43 -16.822 -0.865 8.782 1.00 1.73 N ATOM 0 H ASN A 43 -16.022 -3.004 4.200 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.110 -3.641 6.175 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -15.935 -3.312 7.398 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -15.797 -1.723 6.672 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -17.339 -0.422 9.541 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -15.898 -0.519 8.525 1.00 1.73 H new ATOM 681 N GLY A 44 -19.033 -2.038 4.316 1.00 0.35 N ATOM 682 CA GLY A 44 -19.750 -0.980 3.632 1.00 0.37 C ATOM 683 C GLY A 44 -18.851 -0.250 2.664 1.00 0.34 C ATOM 684 O GLY A 44 -18.535 -0.758 1.592 1.00 0.40 O ATOM 0 H GLY A 44 -19.346 -2.982 4.091 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.601 -1.401 3.096 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.150 -0.277 4.362 1.00 0.37 H new ATOM 688 N ASN A 45 -18.437 0.940 3.041 1.00 0.31 N ATOM 689 CA ASN A 45 -17.530 1.716 2.213 1.00 0.29 C ATOM 690 C ASN A 45 -16.221 1.920 2.955 1.00 0.28 C ATOM 691 O ASN A 45 -15.344 2.659 2.514 1.00 0.29 O ATOM 692 CB ASN A 45 -18.147 3.050 1.799 1.00 0.32 C ATOM 693 CG ASN A 45 -18.556 3.049 0.339 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.565 4.090 -0.317 1.00 0.41 O ATOM 695 ND2 ASN A 45 -18.899 1.878 -0.182 1.00 0.43 N ATOM 0 H ASN A 45 -18.711 1.393 3.913 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.336 1.163 1.294 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -19.018 3.257 2.421 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.431 3.853 1.976 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.183 1.818 -1.160 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -18.878 1.037 0.395 1.00 0.43 H new ATOM 702 N ASP A 46 -16.110 1.252 4.093 1.00 0.30 N ATOM 703 CA ASP A 46 -14.913 1.309 4.912 1.00 0.29 C ATOM 704 C ASP A 46 -14.087 0.054 4.670 1.00 0.28 C ATOM 705 O ASP A 46 -14.474 -1.042 5.070 1.00 0.36 O ATOM 706 CB ASP A 46 -15.288 1.428 6.395 1.00 0.33 C ATOM 707 CG ASP A 46 -14.095 1.708 7.287 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.483 2.787 7.147 1.00 1.36 O ATOM 709 OD2 ASP A 46 -13.783 0.867 8.155 1.00 1.29 O ATOM 0 H ASP A 46 -16.846 0.657 4.473 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.326 2.186 4.641 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -16.020 2.226 6.516 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.767 0.504 6.718 1.00 0.33 H new ATOM 714 N PHE A 47 -12.969 0.217 3.990 1.00 0.23 N ATOM 715 CA PHE A 47 -12.087 -0.891 3.686 1.00 0.23 C ATOM 716 C PHE A 47 -10.845 -0.791 4.556 1.00 0.23 C ATOM 717 O PHE A 47 -10.258 0.286 4.696 1.00 0.24 O ATOM 718 CB PHE A 47 -11.704 -0.867 2.203 1.00 0.25 C ATOM 719 CG PHE A 47 -12.868 -1.101 1.277 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.758 -0.076 0.986 1.00 0.97 C ATOM 721 CD2 PHE A 47 -13.075 -2.344 0.705 1.00 0.81 C ATOM 722 CE1 PHE A 47 -14.831 -0.288 0.140 1.00 1.00 C ATOM 723 CE2 PHE A 47 -14.146 -2.563 -0.144 1.00 0.82 C ATOM 724 CZ PHE A 47 -15.026 -1.535 -0.426 1.00 0.34 C ATOM 0 H PHE A 47 -12.648 1.117 3.634 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.597 -1.832 3.893 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.252 0.097 1.969 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.946 -1.628 2.020 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.610 0.899 1.426 1.00 0.97 H new ATOM 0 HD2 PHE A 47 -12.393 -3.152 0.924 1.00 0.81 H new ATOM 0 HE1 PHE A 47 -15.515 0.518 -0.078 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -14.294 -3.537 -0.586 1.00 0.82 H new ATOM 0 HZ PHE A 47 -15.863 -1.705 -1.086 1.00 0.34 H new ATOM 734 N THR A 48 -10.460 -1.893 5.162 1.00 0.26 N ATOM 735 CA THR A 48 -9.294 -1.903 6.021 1.00 0.27 C ATOM 736 C THR A 48 -8.089 -2.460 5.291 1.00 0.28 C ATOM 737 O THR A 48 -8.170 -3.514 4.663 1.00 0.38 O ATOM 738 CB THR A 48 -9.529 -2.744 7.284 1.00 0.29 C ATOM 739 OG1 THR A 48 -9.731 -4.112 6.912 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.733 -2.234 8.064 1.00 0.56 C ATOM 0 H THR A 48 -10.935 -2.792 5.077 1.00 0.26 H new ATOM 0 HA THR A 48 -9.109 -0.868 6.309 1.00 0.27 H new ATOM 0 HB THR A 48 -8.652 -2.662 7.926 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.195 -4.318 6.118 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.877 -2.847 8.953 1.00 0.56 H new ATOM 0 HG22 THR A 48 -10.563 -1.199 8.361 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.623 -2.290 7.437 1.00 0.56 H new ATOM 748 N TRP A 49 -6.985 -1.750 5.362 1.00 0.23 N ATOM 749 CA TRP A 49 -5.761 -2.196 4.742 1.00 0.23 C ATOM 750 C TRP A 49 -4.769 -2.560 5.832 1.00 0.23 C ATOM 751 O TRP A 49 -4.154 -1.688 6.442 1.00 0.24 O ATOM 752 CB TRP A 49 -5.181 -1.111 3.836 1.00 0.25 C ATOM 753 CG TRP A 49 -5.088 -1.531 2.404 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.946 -1.691 1.675 1.00 0.34 C ATOM 755 CD2 TRP A 49 -6.175 -1.852 1.525 1.00 0.30 C ATOM 756 NE1 TRP A 49 -4.254 -2.103 0.406 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.614 -2.202 0.283 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.565 -1.874 1.662 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -6.390 -2.573 -0.811 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -8.334 -2.244 0.577 1.00 0.38 C ATOM 761 CH2 TRP A 49 -7.745 -2.589 -0.646 1.00 0.42 C ATOM 0 H TRP A 49 -6.912 -0.856 5.847 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.968 -3.068 4.121 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.801 -0.217 3.907 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.188 -0.839 4.194 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.946 -1.518 2.044 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -3.578 -2.304 -0.331 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -8.029 -1.606 2.600 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.937 -2.838 -1.755 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -9.409 -2.268 0.673 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -8.376 -2.873 -1.475 1.00 0.42 H new ATOM 772 N THR A 50 -4.644 -3.845 6.096 1.00 0.22 N ATOM 773 CA THR A 50 -3.737 -4.315 7.120 1.00 0.24 C ATOM 774 C THR A 50 -2.457 -4.840 6.501 1.00 0.25 C ATOM 775 O THR A 50 -2.469 -5.867 5.823 1.00 0.35 O ATOM 776 CB THR A 50 -4.382 -5.430 7.956 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.740 -5.088 8.272 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.595 -5.670 9.237 1.00 0.28 C ATOM 0 H THR A 50 -5.160 -4.582 5.615 1.00 0.22 H new ATOM 0 HA THR A 50 -3.508 -3.469 7.768 1.00 0.24 H new ATOM 0 HB THR A 50 -4.372 -6.348 7.368 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.314 -5.283 7.502 1.00 0.27 H new ATOM 0 HG21 THR A 50 -4.071 -6.464 9.813 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.575 -5.963 8.988 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.575 -4.755 9.829 1.00 0.28 H new ATOM 786 N GLN A 51 -1.362 -4.131 6.720 1.00 0.22 N ATOM 787 CA GLN A 51 -0.073 -4.536 6.182 1.00 0.23 C ATOM 788 C GLN A 51 0.754 -5.219 7.259 1.00 0.22 C ATOM 789 O GLN A 51 1.116 -4.600 8.260 1.00 0.24 O ATOM 790 CB GLN A 51 0.702 -3.323 5.660 1.00 0.27 C ATOM 791 CG GLN A 51 0.347 -2.897 4.244 1.00 0.56 C ATOM 792 CD GLN A 51 -1.029 -2.274 4.153 1.00 0.71 C ATOM 793 OE1 GLN A 51 -1.221 -1.110 4.505 1.00 1.62 O ATOM 794 NE2 GLN A 51 -1.992 -3.037 3.663 1.00 0.82 N ATOM 0 H GLN A 51 -1.340 -3.271 7.267 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.256 -5.228 5.360 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.527 -2.482 6.331 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.768 -3.547 5.700 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.089 -2.184 3.886 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.394 -3.764 3.585 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -1.790 -3.997 3.383 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -2.937 -2.666 3.565 1.00 0.82 H new ATOM 803 N HIS A 52 1.069 -6.477 7.042 1.00 0.22 N ATOM 804 CA HIS A 52 1.860 -7.233 7.990 1.00 0.23 C ATOM 805 C HIS A 52 3.265 -7.410 7.461 1.00 0.23 C ATOM 806 O HIS A 52 3.464 -7.780 6.300 1.00 0.26 O ATOM 807 CB HIS A 52 1.237 -8.599 8.258 1.00 0.24 C ATOM 808 CG HIS A 52 -0.049 -8.549 9.026 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.066 -8.388 10.391 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.321 -8.682 8.581 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.342 -8.431 10.744 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.139 -8.605 9.682 1.00 0.35 N ATOM 0 H HIS A 52 0.788 -7.001 6.213 1.00 0.22 H new ATOM 0 HA HIS A 52 1.889 -6.678 8.928 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.059 -9.098 7.305 1.00 0.24 H new ATOM 0 HB3 HIS A 52 1.952 -9.210 8.809 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.633 -8.822 7.556 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.695 -8.338 11.760 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.157 -8.668 9.689 1.00 0.35 H new ATOM 820 N PHE A 53 4.237 -7.141 8.307 1.00 0.25 N ATOM 821 CA PHE A 53 5.632 -7.275 7.934 1.00 0.27 C ATOM 822 C PHE A 53 6.193 -8.574 8.494 1.00 0.31 C ATOM 823 O PHE A 53 5.970 -8.890 9.665 1.00 0.34 O ATOM 824 CB PHE A 53 6.428 -6.088 8.463 1.00 0.24 C ATOM 825 CG PHE A 53 7.646 -5.772 7.655 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.527 -5.312 6.357 1.00 1.20 C ATOM 827 CD2 PHE A 53 8.909 -5.927 8.194 1.00 1.13 C ATOM 828 CE1 PHE A 53 8.649 -5.011 5.612 1.00 1.23 C ATOM 829 CE2 PHE A 53 10.032 -5.627 7.459 1.00 1.13 C ATOM 830 CZ PHE A 53 9.902 -5.169 6.165 1.00 0.34 C ATOM 0 H PHE A 53 4.086 -6.826 9.265 1.00 0.25 H new ATOM 0 HA PHE A 53 5.711 -7.295 6.847 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.782 -5.211 8.488 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.728 -6.292 9.491 1.00 0.24 H new ATOM 0 HD1 PHE A 53 6.547 -5.187 5.922 1.00 1.20 H new ATOM 0 HD2 PHE A 53 9.016 -6.289 9.206 1.00 1.13 H new ATOM 0 HE1 PHE A 53 8.546 -4.653 4.598 1.00 1.23 H new ATOM 0 HE2 PHE A 53 11.013 -5.750 7.894 1.00 1.13 H new ATOM 0 HZ PHE A 53 10.782 -4.934 5.585 1.00 0.34 H new ATOM 840 N PRO A 54 6.925 -9.343 7.670 1.00 0.35 N ATOM 841 CA PRO A 54 7.507 -10.614 8.105 1.00 0.41 C ATOM 842 C PRO A 54 8.542 -10.414 9.204 1.00 0.39 C ATOM 843 O PRO A 54 9.617 -9.855 8.971 1.00 0.37 O ATOM 844 CB PRO A 54 8.179 -11.161 6.838 1.00 0.46 C ATOM 845 CG PRO A 54 8.353 -9.991 5.932 1.00 0.45 C ATOM 846 CD PRO A 54 7.248 -9.030 6.264 1.00 0.39 C ATOM 0 HA PRO A 54 6.756 -11.285 8.523 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.139 -11.620 7.072 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.564 -11.930 6.370 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.328 -9.527 6.079 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.300 -10.297 4.887 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.569 -7.995 6.147 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.385 -9.171 5.613 1.00 0.39 H new ATOM 854 N GLY A 55 8.219 -10.895 10.397 1.00 0.43 N ATOM 855 CA GLY A 55 9.115 -10.756 11.522 1.00 0.46 C ATOM 856 C GLY A 55 9.322 -9.304 11.925 1.00 0.41 C ATOM 857 O GLY A 55 10.317 -8.980 12.577 1.00 0.43 O ATOM 0 H GLY A 55 7.347 -11.381 10.604 1.00 0.43 H new ATOM 0 HA2 GLY A 55 8.717 -11.312 12.371 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.078 -11.201 11.273 1.00 0.46 H new ATOM 861 N GLY A 56 8.382 -8.432 11.560 1.00 0.37 N ATOM 862 CA GLY A 56 8.520 -7.021 11.889 1.00 0.34 C ATOM 863 C GLY A 56 7.223 -6.374 12.335 1.00 0.35 C ATOM 864 O GLY A 56 6.240 -7.061 12.614 1.00 0.41 O ATOM 0 H GLY A 56 7.535 -8.675 11.047 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.262 -6.911 12.680 1.00 0.34 H new ATOM 0 HA3 GLY A 56 8.902 -6.489 11.018 1.00 0.34 H new ATOM 868 N ARG A 57 7.239 -5.045 12.396 1.00 0.34 N ATOM 869 CA ARG A 57 6.084 -4.265 12.831 1.00 0.38 C ATOM 870 C ARG A 57 4.956 -4.281 11.800 1.00 0.31 C ATOM 871 O ARG A 57 5.192 -4.256 10.592 1.00 0.28 O ATOM 872 CB ARG A 57 6.514 -2.817 13.137 1.00 0.45 C ATOM 873 CG ARG A 57 7.000 -2.031 11.923 1.00 0.43 C ATOM 874 CD ARG A 57 5.920 -1.100 11.388 1.00 0.53 C ATOM 875 NE ARG A 57 5.872 0.176 12.111 1.00 1.58 N ATOM 876 CZ ARG A 57 4.794 0.963 12.185 1.00 2.33 C ATOM 877 NH1 ARG A 57 3.663 0.620 11.583 1.00 2.27 N ATOM 878 NH2 ARG A 57 4.848 2.102 12.865 1.00 3.34 N ATOM 0 H ARG A 57 8.051 -4.480 12.146 1.00 0.34 H new ATOM 0 HA ARG A 57 5.695 -4.728 13.738 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.672 -2.288 13.583 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.309 -2.837 13.883 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.881 -1.449 12.195 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.305 -2.724 11.139 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.101 -0.908 10.330 1.00 0.53 H new ATOM 0 HD3 ARG A 57 4.950 -1.593 11.462 1.00 0.53 H new ATOM 0 HE ARG A 57 6.719 0.483 12.590 1.00 1.58 H new ATOM 0 HH11 ARG A 57 3.610 -0.252 11.057 1.00 2.27 H new ATOM 0 HH12 ARG A 57 2.847 1.228 11.646 1.00 2.27 H new ATOM 0 HH21 ARG A 57 5.712 2.377 13.331 1.00 3.34 H new ATOM 0 HH22 ARG A 57 4.025 2.702 12.921 1.00 3.34 H new ATOM 892 N THR A 58 3.728 -4.321 12.290 1.00 0.36 N ATOM 893 CA THR A 58 2.561 -4.330 11.429 1.00 0.31 C ATOM 894 C THR A 58 2.002 -2.915 11.287 1.00 0.28 C ATOM 895 O THR A 58 2.293 -2.038 12.102 1.00 0.33 O ATOM 896 CB THR A 58 1.475 -5.292 11.971 1.00 0.35 C ATOM 897 OG1 THR A 58 0.517 -5.588 10.950 1.00 0.34 O ATOM 898 CG2 THR A 58 0.753 -4.705 13.181 1.00 0.39 C ATOM 0 H THR A 58 3.515 -4.348 13.287 1.00 0.36 H new ATOM 0 HA THR A 58 2.864 -4.690 10.446 1.00 0.31 H new ATOM 0 HB THR A 58 1.980 -6.207 12.281 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.431 -6.559 10.854 1.00 0.34 H new ATOM 0 HG21 THR A 58 -0.001 -5.410 13.532 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.472 -4.517 13.978 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.271 -3.769 12.898 1.00 0.39 H new ATOM 906 N THR A 59 1.224 -2.693 10.240 1.00 0.25 N ATOM 907 CA THR A 59 0.628 -1.392 9.986 1.00 0.27 C ATOM 908 C THR A 59 -0.810 -1.562 9.499 1.00 0.24 C ATOM 909 O THR A 59 -1.041 -2.020 8.382 1.00 0.36 O ATOM 910 CB THR A 59 1.446 -0.624 8.931 1.00 0.32 C ATOM 911 OG1 THR A 59 2.842 -0.943 9.078 1.00 0.49 O ATOM 912 CG2 THR A 59 1.241 0.878 9.067 1.00 0.48 C ATOM 0 H THR A 59 0.989 -3.404 9.547 1.00 0.25 H new ATOM 0 HA THR A 59 0.628 -0.823 10.916 1.00 0.27 H new ATOM 0 HB THR A 59 1.103 -0.925 7.941 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.378 -0.133 8.949 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.830 1.396 8.310 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.186 1.115 8.931 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.560 1.200 10.058 1.00 0.48 H new ATOM 920 N THR A 60 -1.774 -1.211 10.337 1.00 0.26 N ATOM 921 CA THR A 60 -3.176 -1.353 9.974 1.00 0.23 C ATOM 922 C THR A 60 -3.872 -0.002 9.837 1.00 0.22 C ATOM 923 O THR A 60 -3.785 0.839 10.731 1.00 0.26 O ATOM 924 CB THR A 60 -3.917 -2.194 11.021 1.00 0.25 C ATOM 925 OG1 THR A 60 -3.090 -3.294 11.418 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.239 -2.707 10.466 1.00 0.24 C ATOM 0 H THR A 60 -1.613 -0.828 11.268 1.00 0.26 H new ATOM 0 HA THR A 60 -3.204 -1.853 9.006 1.00 0.23 H new ATOM 0 HB THR A 60 -4.133 -1.568 11.887 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.561 -3.832 12.088 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.747 -3.301 11.226 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.868 -1.862 10.185 1.00 0.24 H new ATOM 0 HG23 THR A 60 -5.050 -3.326 9.589 1.00 0.24 H new ATOM 934 N ASN A 61 -4.567 0.190 8.722 1.00 0.25 N ATOM 935 CA ASN A 61 -5.286 1.430 8.468 1.00 0.26 C ATOM 936 C ASN A 61 -6.690 1.118 7.987 1.00 0.29 C ATOM 937 O ASN A 61 -6.897 0.162 7.242 1.00 0.51 O ATOM 938 CB ASN A 61 -4.569 2.272 7.405 1.00 0.36 C ATOM 939 CG ASN A 61 -3.074 2.407 7.647 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.630 3.311 8.346 1.00 1.43 O ATOM 941 ND2 ASN A 61 -2.287 1.511 7.065 1.00 1.72 N ATOM 0 H ASN A 61 -4.647 -0.502 7.977 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.326 1.996 9.398 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.732 1.822 6.426 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -5.016 3.266 7.377 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -1.276 1.561 7.193 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -2.693 0.773 6.490 1.00 1.72 H new ATOM 948 N SER A 62 -7.644 1.921 8.413 1.00 0.21 N ATOM 949 CA SER A 62 -9.027 1.738 8.020 1.00 0.25 C ATOM 950 C SER A 62 -9.541 3.027 7.388 1.00 0.23 C ATOM 951 O SER A 62 -9.499 4.090 8.008 1.00 0.29 O ATOM 952 CB SER A 62 -9.857 1.331 9.241 1.00 0.34 C ATOM 953 OG SER A 62 -9.735 2.273 10.296 1.00 1.04 O ATOM 0 H SER A 62 -7.485 2.713 9.036 1.00 0.21 H new ATOM 0 HA SER A 62 -9.112 0.941 7.281 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.905 1.239 8.955 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.534 0.350 9.590 1.00 0.34 H new ATOM 0 HG SER A 62 -9.633 3.173 9.921 1.00 1.04 H new ATOM 959 N PHE A 63 -10.018 2.937 6.156 1.00 0.18 N ATOM 960 CA PHE A 63 -10.481 4.124 5.455 1.00 0.17 C ATOM 961 C PHE A 63 -11.856 3.936 4.839 1.00 0.18 C ATOM 962 O PHE A 63 -12.171 2.884 4.282 1.00 0.24 O ATOM 963 CB PHE A 63 -9.481 4.517 4.362 1.00 0.17 C ATOM 964 CG PHE A 63 -9.206 3.428 3.361 1.00 0.18 C ATOM 965 CD1 PHE A 63 -9.978 3.311 2.217 1.00 0.88 C ATOM 966 CD2 PHE A 63 -8.178 2.526 3.567 1.00 0.86 C ATOM 967 CE1 PHE A 63 -9.733 2.311 1.300 1.00 0.88 C ATOM 968 CE2 PHE A 63 -7.926 1.525 2.652 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.705 1.417 1.517 1.00 0.23 C ATOM 0 H PHE A 63 -10.094 2.068 5.627 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.557 4.920 6.196 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.860 5.393 3.835 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.542 4.810 4.832 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -10.781 4.011 2.041 1.00 0.88 H new ATOM 0 HD2 PHE A 63 -7.566 2.606 4.453 1.00 0.86 H new ATOM 0 HE1 PHE A 63 -10.345 2.228 0.414 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -7.120 0.826 2.823 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.510 0.633 0.800 1.00 0.23 H new ATOM 979 N THR A 64 -12.661 4.971 4.948 1.00 0.17 N ATOM 980 CA THR A 64 -13.988 4.974 4.382 1.00 0.19 C ATOM 981 C THR A 64 -13.974 5.807 3.110 1.00 0.18 C ATOM 982 O THR A 64 -13.478 6.932 3.114 1.00 0.19 O ATOM 983 CB THR A 64 -15.024 5.542 5.376 1.00 0.21 C ATOM 984 OG1 THR A 64 -15.173 4.666 6.500 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.378 5.744 4.713 1.00 0.22 C ATOM 0 H THR A 64 -12.411 5.833 5.432 1.00 0.17 H new ATOM 0 HA THR A 64 -14.278 3.947 4.158 1.00 0.19 H new ATOM 0 HB THR A 64 -14.654 6.510 5.714 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.407 4.057 6.544 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.083 6.145 5.441 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.276 6.443 3.883 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.746 4.789 4.339 1.00 0.22 H new ATOM 993 N ILE A 65 -14.458 5.234 2.017 1.00 0.18 N ATOM 994 CA ILE A 65 -14.505 5.939 0.745 1.00 0.18 C ATOM 995 C ILE A 65 -15.263 7.255 0.889 1.00 0.21 C ATOM 996 O ILE A 65 -16.379 7.279 1.410 1.00 0.24 O ATOM 997 CB ILE A 65 -15.169 5.085 -0.358 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.468 3.727 -0.480 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.139 5.826 -1.686 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -12.985 3.828 -0.775 1.00 0.19 C ATOM 0 H ILE A 65 -14.824 4.282 1.986 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.475 6.140 0.452 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.209 4.908 -0.084 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.607 3.172 0.448 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -14.948 3.151 -1.271 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.610 5.214 -2.455 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.680 6.767 -1.590 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.105 6.029 -1.966 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.559 2.827 -0.847 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.837 4.354 -1.718 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.491 4.376 0.028 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.617 8.337 0.452 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.172 9.693 0.493 1.00 0.23 C ATOM 1014 C ASP A 66 -15.123 10.248 1.920 1.00 0.23 C ATOM 1015 O ASP A 66 -15.812 11.211 2.265 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.600 9.714 -0.072 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.130 11.113 -0.334 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.391 11.948 -0.895 1.00 1.10 O ATOM 1019 OD2 ASP A 66 -18.306 11.373 0.010 1.00 1.04 O ATOM 0 H ASP A 66 -13.679 8.296 0.053 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.561 10.339 -0.137 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.622 9.146 -1.002 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.266 9.207 0.627 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.264 9.652 2.735 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.104 10.059 4.122 1.00 0.22 C ATOM 1026 C LYS A 67 -12.619 10.147 4.481 1.00 0.21 C ATOM 1027 O LYS A 67 -11.793 9.400 3.947 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.834 9.070 5.035 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.511 9.204 6.515 1.00 0.25 C ATOM 1030 CD LYS A 67 -14.986 10.534 7.080 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.222 10.895 8.338 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.351 12.341 8.669 1.00 1.59 N ATOM 0 H LYS A 67 -13.662 8.878 2.455 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.541 11.048 4.262 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.908 9.198 4.900 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.591 8.056 4.716 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.980 8.388 7.064 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.435 9.110 6.662 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.855 11.318 6.334 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.052 10.479 7.301 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.591 10.297 9.171 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.169 10.645 8.208 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -13.760 12.562 9.496 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -14.039 12.912 7.858 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -15.344 12.560 8.885 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.285 11.092 5.351 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.914 11.288 5.802 1.00 0.26 C ATOM 1048 C GLU A 68 -10.533 10.186 6.786 1.00 0.23 C ATOM 1049 O GLU A 68 -11.206 9.985 7.800 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.756 12.662 6.467 1.00 0.34 C ATOM 1051 CG GLU A 68 -11.170 13.830 5.582 1.00 1.35 C ATOM 1052 CD GLU A 68 -12.674 13.967 5.452 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -13.399 13.426 6.317 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -13.138 14.593 4.475 1.00 2.51 O ATOM 0 H GLU A 68 -12.955 11.742 5.762 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.252 11.245 4.937 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -11.351 12.683 7.380 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -9.715 12.794 6.762 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -10.760 14.753 5.992 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -10.735 13.701 4.591 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.461 9.475 6.488 1.00 0.20 N ATOM 1062 CA ALA A 69 -9.017 8.382 7.336 1.00 0.18 C ATOM 1063 C ALA A 69 -7.642 8.641 7.934 1.00 0.21 C ATOM 1064 O ALA A 69 -6.846 9.413 7.394 1.00 0.31 O ATOM 1065 CB ALA A 69 -9.001 7.091 6.538 1.00 0.18 C ATOM 0 H ALA A 69 -8.881 9.634 5.664 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.721 8.299 8.164 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.668 6.273 7.176 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -10.005 6.878 6.170 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.319 7.194 5.694 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.378 7.983 9.053 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.102 8.096 9.742 1.00 0.24 C ATOM 1073 C ASP A 70 -5.198 6.982 9.255 1.00 0.22 C ATOM 1074 O ASP A 70 -5.551 5.807 9.331 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.299 8.002 11.261 1.00 0.31 C ATOM 1076 CG ASP A 70 -7.193 9.098 11.803 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -8.432 8.971 11.700 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -6.660 10.091 12.338 1.00 1.87 O ATOM 0 H ASP A 70 -8.042 7.356 9.508 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.649 9.064 9.526 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.730 7.032 11.508 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.328 8.054 11.753 1.00 0.31 H new ATOM 1083 N MET A 71 -4.044 7.343 8.731 1.00 0.20 N ATOM 1084 CA MET A 71 -3.131 6.354 8.200 1.00 0.20 C ATOM 1085 C MET A 71 -1.739 6.490 8.782 1.00 0.22 C ATOM 1086 O MET A 71 -1.397 7.500 9.403 1.00 0.26 O ATOM 1087 CB MET A 71 -3.046 6.490 6.690 1.00 0.22 C ATOM 1088 CG MET A 71 -4.401 6.528 6.029 1.00 0.19 C ATOM 1089 SD MET A 71 -4.412 7.517 4.535 1.00 0.20 S ATOM 1090 CE MET A 71 -6.172 7.589 4.268 1.00 0.20 C ATOM 0 H MET A 71 -3.719 8.307 8.662 1.00 0.20 H new ATOM 0 HA MET A 71 -3.521 5.374 8.476 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.500 7.400 6.442 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.473 5.655 6.286 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.713 5.511 5.789 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.132 6.929 6.731 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.373 7.981 3.271 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.595 6.588 4.357 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.627 8.242 5.013 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.951 5.455 8.561 1.00 0.24 N ATOM 1101 CA GLU A 72 0.426 5.396 8.999 1.00 0.25 C ATOM 1102 C GLU A 72 1.229 4.566 7.999 1.00 0.26 C ATOM 1103 O GLU A 72 0.691 3.649 7.377 1.00 0.29 O ATOM 1104 CB GLU A 72 0.528 4.765 10.397 1.00 0.28 C ATOM 1105 CG GLU A 72 1.944 4.335 10.764 1.00 0.30 C ATOM 1106 CD GLU A 72 2.020 3.491 12.016 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.602 2.316 11.976 1.00 1.47 O ATOM 1108 OE2 GLU A 72 2.534 3.983 13.039 1.00 1.32 O ATOM 0 H GLU A 72 -1.257 4.619 8.064 1.00 0.24 H new ATOM 0 HA GLU A 72 0.826 6.409 9.052 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.170 5.480 11.138 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.131 3.898 10.446 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.370 3.774 9.932 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.560 5.224 10.898 1.00 0.30 H new ATOM 1115 N THR A 73 2.492 4.915 7.804 1.00 0.26 N ATOM 1116 CA THR A 73 3.346 4.165 6.903 1.00 0.28 C ATOM 1117 C THR A 73 4.237 3.231 7.708 1.00 0.30 C ATOM 1118 O THR A 73 4.333 3.354 8.931 1.00 0.36 O ATOM 1119 CB THR A 73 4.252 5.081 6.056 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.271 5.654 6.882 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.453 6.190 5.393 1.00 0.32 C ATOM 0 H THR A 73 2.944 5.709 8.257 1.00 0.26 H new ATOM 0 HA THR A 73 2.692 3.609 6.231 1.00 0.28 H new ATOM 0 HB THR A 73 4.707 4.473 5.274 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.936 6.102 6.318 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.121 6.818 4.804 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.696 5.754 4.741 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.967 6.796 6.158 1.00 0.32 H new ATOM 1129 N MET A 74 4.918 2.321 7.029 1.00 0.32 N ATOM 1130 CA MET A 74 5.812 1.397 7.709 1.00 0.34 C ATOM 1131 C MET A 74 7.080 2.121 8.148 1.00 0.31 C ATOM 1132 O MET A 74 7.980 1.528 8.742 1.00 0.37 O ATOM 1133 CB MET A 74 6.163 0.209 6.808 1.00 0.42 C ATOM 1134 CG MET A 74 5.098 -0.872 6.799 1.00 0.76 C ATOM 1135 SD MET A 74 5.531 -2.268 5.748 1.00 0.93 S ATOM 1136 CE MET A 74 4.383 -3.495 6.367 1.00 1.05 C ATOM 0 H MET A 74 4.870 2.203 6.017 1.00 0.32 H new ATOM 0 HA MET A 74 5.300 1.013 8.591 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.316 0.567 5.790 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.107 -0.223 7.140 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.937 -1.226 7.817 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.155 -0.444 6.457 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.927 -4.245 6.942 1.00 1.05 H new ATOM 0 HE2 MET A 74 3.644 -3.012 7.007 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.878 -3.976 5.529 1.00 1.05 H new ATOM 1146 N GLY A 75 7.145 3.412 7.833 1.00 0.28 N ATOM 1147 CA GLY A 75 8.275 4.219 8.210 1.00 0.31 C ATOM 1148 C GLY A 75 8.021 4.919 9.531 1.00 0.35 C ATOM 1149 O GLY A 75 8.922 5.531 10.100 1.00 0.48 O ATOM 0 H GLY A 75 6.421 3.912 7.316 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.164 3.593 8.290 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.475 4.958 7.434 1.00 0.31 H new ATOM 1153 N GLY A 76 6.781 4.820 10.021 1.00 0.34 N ATOM 1154 CA GLY A 76 6.421 5.448 11.285 1.00 0.39 C ATOM 1155 C GLY A 76 5.839 6.837 11.105 1.00 0.38 C ATOM 1156 O GLY A 76 6.043 7.720 11.937 1.00 0.48 O ATOM 0 H GLY A 76 6.021 4.316 9.564 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.697 4.820 11.805 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.305 5.509 11.920 1.00 0.39 H new ATOM 1160 N ARG A 77 5.105 7.026 10.020 1.00 0.38 N ATOM 1161 CA ARG A 77 4.495 8.316 9.725 1.00 0.38 C ATOM 1162 C ARG A 77 3.023 8.325 10.099 1.00 0.37 C ATOM 1163 O ARG A 77 2.272 7.461 9.672 1.00 0.36 O ATOM 1164 CB ARG A 77 4.629 8.653 8.239 1.00 0.37 C ATOM 1165 CG ARG A 77 6.030 8.563 7.702 1.00 0.39 C ATOM 1166 CD ARG A 77 6.046 8.858 6.219 1.00 0.43 C ATOM 1167 NE ARG A 77 6.202 10.282 5.951 1.00 0.52 N ATOM 1168 CZ ARG A 77 6.733 10.772 4.834 1.00 0.67 C ATOM 1169 NH1 ARG A 77 7.232 9.958 3.914 1.00 0.80 N ATOM 1170 NH2 ARG A 77 6.790 12.083 4.655 1.00 0.85 N ATOM 0 H ARG A 77 4.916 6.302 9.327 1.00 0.38 H new ATOM 0 HA ARG A 77 5.021 9.064 10.318 1.00 0.38 H new ATOM 0 HB2 ARG A 77 3.991 7.979 7.668 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.254 9.663 8.074 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.673 9.269 8.227 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.433 7.567 7.886 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.861 8.308 5.748 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.119 8.503 5.768 1.00 0.43 H new ATOM 0 HE ARG A 77 5.885 10.942 6.662 1.00 0.52 H new ATOM 0 HH11 ARG A 77 7.210 8.949 4.060 1.00 0.80 H new ATOM 0 HH12 ARG A 77 7.638 10.341 3.060 1.00 0.80 H new ATOM 0 HH21 ARG A 77 6.428 12.712 5.372 1.00 0.85 H new ATOM 0 HH22 ARG A 77 7.196 12.464 3.800 1.00 0.85 H new ATOM 1184 N LYS A 78 2.623 9.302 10.899 1.00 0.42 N ATOM 1185 CA LYS A 78 1.227 9.448 11.310 1.00 0.43 C ATOM 1186 C LYS A 78 0.595 10.587 10.521 1.00 0.39 C ATOM 1187 O LYS A 78 1.069 11.721 10.580 1.00 0.44 O ATOM 1188 CB LYS A 78 1.129 9.747 12.809 1.00 0.57 C ATOM 1189 CG LYS A 78 2.093 8.940 13.664 1.00 0.75 C ATOM 1190 CD LYS A 78 1.626 7.502 13.850 1.00 1.12 C ATOM 1191 CE LYS A 78 2.584 6.727 14.744 1.00 1.69 C ATOM 1192 NZ LYS A 78 2.043 5.402 15.135 1.00 1.76 N ATOM 0 H LYS A 78 3.248 10.012 11.281 1.00 0.42 H new ATOM 0 HA LYS A 78 0.701 8.514 11.111 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.317 10.808 12.971 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.110 9.549 13.143 1.00 0.57 H new ATOM 0 HG2 LYS A 78 3.079 8.943 13.200 1.00 0.75 H new ATOM 0 HG3 LYS A 78 2.198 9.416 14.639 1.00 0.75 H new ATOM 0 HD2 LYS A 78 0.628 7.494 14.288 1.00 1.12 H new ATOM 0 HD3 LYS A 78 1.552 7.012 12.879 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.532 6.591 14.224 1.00 1.69 H new ATOM 0 HE3 LYS A 78 2.793 7.310 15.641 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 2.540 5.061 15.983 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 1.027 5.489 15.340 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 2.183 4.727 14.357 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.468 10.294 9.787 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.123 11.316 8.980 1.00 0.31 C ATOM 1208 C PHE A 79 -2.585 10.971 8.713 1.00 0.28 C ATOM 1209 O PHE A 79 -3.074 9.915 9.122 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.376 11.478 7.650 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.282 10.207 6.852 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.738 9.306 7.093 1.00 1.17 C ATOM 1213 CD2 PHE A 79 -1.214 9.906 5.867 1.00 1.07 C ATOM 1214 CE1 PHE A 79 0.831 8.134 6.379 1.00 1.16 C ATOM 1215 CE2 PHE A 79 -1.124 8.731 5.145 1.00 1.09 C ATOM 1216 CZ PHE A 79 -0.101 7.842 5.402 1.00 0.26 C ATOM 0 H PHE A 79 -0.893 9.368 9.732 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.098 12.253 9.537 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.879 12.237 7.051 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.630 11.846 7.851 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.473 9.525 7.853 1.00 1.17 H new ATOM 0 HD2 PHE A 79 -2.018 10.598 5.663 1.00 1.07 H new ATOM 0 HE1 PHE A 79 1.634 7.441 6.583 1.00 1.16 H new ATOM 0 HE2 PHE A 79 -1.854 8.509 4.380 1.00 1.09 H new ATOM 0 HZ PHE A 79 -0.029 6.922 4.842 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.276 11.885 8.048 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.674 11.700 7.683 1.00 0.33 C ATOM 1228 C LYS A 80 -4.840 12.018 6.203 1.00 0.27 C ATOM 1229 O LYS A 80 -4.147 12.894 5.677 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.595 12.611 8.511 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.674 12.263 9.993 1.00 0.65 C ATOM 1232 CD LYS A 80 -4.616 13.001 10.798 1.00 0.81 C ATOM 1233 CE LYS A 80 -4.994 13.121 12.268 1.00 1.64 C ATOM 1234 NZ LYS A 80 -4.839 11.832 12.998 1.00 2.55 N ATOM 0 H LYS A 80 -2.884 12.777 7.746 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.954 10.666 7.886 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.249 13.640 8.412 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.599 12.570 8.088 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.664 12.515 10.374 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.547 11.188 10.122 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -3.664 12.477 10.711 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.472 13.997 10.379 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -4.371 13.881 12.740 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -6.027 13.460 12.349 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -4.604 12.023 13.993 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -5.729 11.296 12.949 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -4.076 11.276 12.562 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.733 11.307 5.524 1.00 0.24 N ATOM 1249 CA ALA A 81 -5.965 11.541 4.105 1.00 0.20 C ATOM 1250 C ALA A 81 -7.355 11.088 3.685 1.00 0.19 C ATOM 1251 O ALA A 81 -7.988 10.281 4.367 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.909 10.825 3.274 1.00 0.21 C ATOM 0 H ALA A 81 -6.305 10.567 5.931 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.894 12.614 3.929 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.094 11.008 2.215 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.921 11.200 3.540 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.956 9.754 3.471 1.00 0.21 H new ATOM 1258 N THR A 82 -7.825 11.613 2.568 1.00 0.19 N ATOM 1259 CA THR A 82 -9.133 11.258 2.047 1.00 0.19 C ATOM 1260 C THR A 82 -8.994 10.251 0.909 1.00 0.20 C ATOM 1261 O THR A 82 -8.208 10.449 -0.022 1.00 0.28 O ATOM 1262 CB THR A 82 -9.873 12.506 1.544 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.532 13.624 2.374 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.381 12.291 1.562 1.00 0.25 C ATOM 0 H THR A 82 -7.317 12.291 2.001 1.00 0.19 H new ATOM 0 HA THR A 82 -9.710 10.809 2.855 1.00 0.19 H new ATOM 0 HB THR A 82 -9.570 12.701 0.515 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.001 14.423 2.055 1.00 0.33 H new ATOM 0 HG21 THR A 82 -11.881 13.190 1.201 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.636 11.450 0.917 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.706 12.079 2.581 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.752 9.171 0.989 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.707 8.133 -0.025 1.00 0.15 C ATOM 1274 C VAL A 83 -11.034 8.062 -0.763 1.00 0.16 C ATOM 1275 O VAL A 83 -12.091 8.181 -0.154 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.391 6.760 0.596 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.290 5.696 -0.480 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.112 6.825 1.410 1.00 0.19 C ATOM 0 H VAL A 83 -10.408 8.990 1.749 1.00 0.15 H new ATOM 0 HA VAL A 83 -8.912 8.387 -0.726 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.208 6.490 1.265 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.066 4.733 -0.020 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.236 5.630 -1.017 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.495 5.958 -1.178 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -7.905 5.846 1.841 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.285 7.120 0.765 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.227 7.557 2.210 1.00 0.19 H new ATOM 1288 N LYS A 84 -10.973 7.873 -2.069 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.170 7.793 -2.886 1.00 0.19 C ATOM 1290 C LYS A 84 -12.103 6.551 -3.777 1.00 0.19 C ATOM 1291 O LYS A 84 -11.135 5.792 -3.718 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.309 9.067 -3.728 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.059 9.394 -4.524 1.00 0.26 C ATOM 1294 CD LYS A 84 -10.968 10.867 -4.877 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.578 11.217 -5.394 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.481 12.626 -5.863 1.00 1.14 N ATOM 0 H LYS A 84 -10.101 7.772 -2.589 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.047 7.709 -2.245 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.149 8.953 -4.413 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.544 9.905 -3.072 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.179 9.106 -3.949 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.049 8.802 -5.439 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -11.714 11.111 -5.634 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.196 11.470 -3.998 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -8.847 11.050 -4.603 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.319 10.546 -6.213 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -8.516 12.813 -6.204 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.158 12.782 -6.637 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -9.700 13.270 -5.076 1.00 1.14 H new ATOM 1310 N MET A 85 -13.127 6.334 -4.588 1.00 0.21 N ATOM 1311 CA MET A 85 -13.151 5.179 -5.473 1.00 0.22 C ATOM 1312 C MET A 85 -13.425 5.616 -6.906 1.00 0.28 C ATOM 1313 O MET A 85 -14.303 6.443 -7.154 1.00 0.41 O ATOM 1314 CB MET A 85 -14.206 4.174 -5.019 1.00 0.23 C ATOM 1315 CG MET A 85 -13.634 2.835 -4.593 1.00 0.21 C ATOM 1316 SD MET A 85 -14.921 1.637 -4.192 1.00 0.26 S ATOM 1317 CE MET A 85 -14.012 0.497 -3.156 1.00 0.25 C ATOM 0 H MET A 85 -13.947 6.937 -4.652 1.00 0.21 H new ATOM 0 HA MET A 85 -12.174 4.697 -5.433 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.766 4.600 -4.187 1.00 0.23 H new ATOM 0 HB3 MET A 85 -14.915 4.014 -5.831 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.008 2.439 -5.393 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.990 2.977 -3.725 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.697 -0.243 -2.741 1.00 0.25 H new ATOM 0 HE2 MET A 85 -13.250 -0.007 -3.751 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.535 1.045 -2.344 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.666 5.064 -7.839 1.00 0.26 N ATOM 1328 CA GLU A 86 -12.820 5.399 -9.246 1.00 0.32 C ATOM 1329 C GLU A 86 -13.159 4.163 -10.080 1.00 0.29 C ATOM 1330 O GLU A 86 -12.269 3.453 -10.553 1.00 0.36 O ATOM 1331 CB GLU A 86 -11.542 6.057 -9.778 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.263 5.410 -9.263 1.00 1.22 C ATOM 1333 CD GLU A 86 -9.034 5.833 -10.042 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -8.884 7.043 -10.314 1.00 2.46 O ATOM 1335 OE2 GLU A 86 -8.225 4.948 -10.400 1.00 2.67 O ATOM 0 H GLU A 86 -11.935 4.380 -7.647 1.00 0.26 H new ATOM 0 HA GLU A 86 -13.648 6.102 -9.332 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.548 6.014 -10.867 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -11.543 7.111 -9.500 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -10.128 5.669 -8.213 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.364 4.326 -9.314 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.451 3.906 -10.239 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.898 2.771 -11.033 1.00 0.46 C ATOM 1344 C GLY A 87 -14.488 1.427 -10.463 1.00 0.38 C ATOM 1345 O GLY A 87 -13.937 0.593 -11.180 1.00 0.36 O ATOM 0 H GLY A 87 -15.202 4.464 -9.832 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.984 2.804 -11.117 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.497 2.865 -12.042 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.750 1.214 -9.178 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.406 -0.054 -8.556 1.00 0.33 C ATOM 1351 C GLY A 88 -12.932 -0.170 -8.206 1.00 0.27 C ATOM 1352 O GLY A 88 -12.434 -1.265 -7.948 1.00 0.32 O ATOM 0 H GLY A 88 -15.192 1.892 -8.557 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.999 -0.179 -7.650 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.678 -0.867 -9.229 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.232 0.953 -8.211 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.811 0.990 -7.881 1.00 0.19 C ATOM 1358 C LYS A 89 -10.586 2.034 -6.802 1.00 0.17 C ATOM 1359 O LYS A 89 -11.000 3.180 -6.953 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.972 1.315 -9.124 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.433 0.586 -10.387 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.367 0.585 -11.477 1.00 0.52 C ATOM 1363 CE LYS A 89 -8.984 1.993 -11.910 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.713 2.451 -11.282 1.00 1.76 N ATOM 0 H LYS A 89 -12.629 1.864 -8.443 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.499 0.011 -7.517 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.006 2.390 -9.303 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.931 1.057 -8.926 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.693 -0.442 -10.136 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.338 1.060 -10.767 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -8.480 0.065 -11.115 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -9.733 0.029 -12.340 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -8.882 2.022 -12.995 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -9.786 2.683 -11.647 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -7.912 3.232 -10.625 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.280 1.662 -10.760 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.059 2.778 -12.021 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.964 1.637 -5.708 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.718 2.557 -4.610 1.00 0.16 C ATOM 1380 C ILE A 90 -8.532 3.465 -4.910 1.00 0.17 C ATOM 1381 O ILE A 90 -7.428 2.992 -5.180 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.469 1.810 -3.281 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.490 0.677 -3.105 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.538 2.783 -2.118 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.590 0.143 -1.692 1.00 0.20 C ATOM 0 H ILE A 90 -9.621 0.689 -5.555 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.617 3.164 -4.503 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.473 1.368 -3.304 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.471 1.036 -3.416 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -10.225 -0.143 -3.773 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.361 2.248 -1.185 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.778 3.554 -2.243 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.524 3.246 -2.089 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.333 -0.654 -1.656 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.622 -0.250 -1.382 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.887 0.947 -1.019 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.775 4.769 -4.875 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.737 5.750 -5.131 1.00 0.17 C ATOM 1399 C VAL A 91 -7.594 6.702 -3.946 1.00 0.16 C ATOM 1400 O VAL A 91 -8.577 7.241 -3.432 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.015 6.550 -6.422 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.358 7.247 -6.359 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -6.900 7.553 -6.691 1.00 0.25 C ATOM 0 H VAL A 91 -9.690 5.170 -4.670 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.802 5.207 -5.267 1.00 0.17 H new ATOM 0 HB VAL A 91 -8.045 5.841 -7.250 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.524 7.801 -7.283 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.147 6.506 -6.234 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.371 7.936 -5.515 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.119 8.104 -7.606 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -6.828 8.250 -5.856 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -5.954 7.024 -6.804 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.364 6.880 -3.502 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.078 7.763 -2.380 1.00 0.19 C ATOM 1415 C ALA A 92 -5.363 9.012 -2.856 1.00 0.20 C ATOM 1416 O ALA A 92 -4.469 8.940 -3.703 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.254 7.038 -1.336 1.00 0.22 C ATOM 0 H ALA A 92 -5.543 6.425 -3.900 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.022 8.064 -1.925 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.048 7.711 -0.503 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.807 6.171 -0.974 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.313 6.710 -1.778 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.753 10.150 -2.309 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.168 11.419 -2.703 1.00 0.26 C ATOM 1425 C ASP A 93 -4.024 11.819 -1.787 1.00 0.22 C ATOM 1426 O ASP A 93 -4.178 11.892 -0.568 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.229 12.508 -2.725 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.681 13.836 -3.207 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.688 14.072 -4.436 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.234 14.645 -2.372 1.00 1.19 O ATOM 0 H ASP A 93 -6.473 10.221 -1.590 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.762 11.296 -3.707 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -7.050 12.200 -3.373 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.642 12.630 -1.724 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.878 12.090 -2.397 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.677 12.472 -1.666 1.00 0.21 C ATOM 1437 C PHE A 94 -0.811 13.418 -2.494 1.00 0.24 C ATOM 1438 O PHE A 94 -0.906 13.431 -3.723 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.859 11.224 -1.318 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.461 10.391 -0.237 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.354 10.770 1.091 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.151 9.237 -0.550 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -1.926 10.011 2.086 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.729 8.476 0.442 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.616 8.862 1.760 1.00 0.25 C ATOM 0 H PHE A 94 -2.755 12.052 -3.409 1.00 0.22 H new ATOM 0 HA PHE A 94 -1.986 12.982 -0.754 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.746 10.614 -2.214 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.142 11.530 -1.013 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.816 11.671 1.348 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.238 8.928 -1.581 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -1.835 10.314 3.119 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.271 7.577 0.187 1.00 1.27 H new ATOM 0 HZ PHE A 94 -3.068 8.265 2.538 1.00 0.25 H new ATOM 1455 N PRO A 95 0.044 14.218 -1.835 1.00 0.26 N ATOM 1456 CA PRO A 95 0.945 15.140 -2.529 1.00 0.29 C ATOM 1457 C PRO A 95 2.079 14.397 -3.243 1.00 0.26 C ATOM 1458 O PRO A 95 2.916 13.766 -2.598 1.00 0.27 O ATOM 1459 CB PRO A 95 1.498 16.015 -1.402 1.00 0.36 C ATOM 1460 CG PRO A 95 1.380 15.187 -0.168 1.00 0.32 C ATOM 1461 CD PRO A 95 0.179 14.306 -0.366 1.00 0.28 C ATOM 0 HA PRO A 95 0.436 15.708 -3.308 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.535 16.292 -1.592 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.932 16.942 -1.310 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.279 14.590 -0.012 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.259 15.817 0.713 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.326 13.323 0.082 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.712 14.735 0.093 1.00 0.28 H new ATOM 1469 N ASN A 96 2.084 14.470 -4.576 1.00 0.27 N ATOM 1470 CA ASN A 96 3.091 13.812 -5.411 1.00 0.29 C ATOM 1471 C ASN A 96 3.018 12.293 -5.282 1.00 0.28 C ATOM 1472 O ASN A 96 3.945 11.584 -5.672 1.00 0.37 O ATOM 1473 CB ASN A 96 4.505 14.292 -5.062 1.00 0.35 C ATOM 1474 CG ASN A 96 4.699 15.778 -5.280 1.00 0.77 C ATOM 1475 OD1 ASN A 96 4.967 16.223 -6.393 1.00 1.27 O ATOM 1476 ND2 ASN A 96 4.586 16.550 -4.213 1.00 1.50 N ATOM 0 H ASN A 96 1.386 14.990 -5.109 1.00 0.27 H new ATOM 0 HA ASN A 96 2.873 14.085 -6.444 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.716 14.053 -4.020 1.00 0.35 H new ATOM 0 HB3 ASN A 96 5.228 13.745 -5.667 1.00 0.35 H new ATOM 0 HD21 ASN A 96 4.723 17.557 -4.296 1.00 1.50 H new ATOM 0 HD22 ASN A 96 4.362 16.138 -3.307 1.00 1.50 H new ATOM 1483 N TYR A 97 1.911 11.801 -4.744 1.00 0.23 N ATOM 1484 CA TYR A 97 1.719 10.370 -4.559 1.00 0.21 C ATOM 1485 C TYR A 97 0.331 9.972 -5.049 1.00 0.21 C ATOM 1486 O TYR A 97 -0.668 10.609 -4.711 1.00 0.24 O ATOM 1487 CB TYR A 97 1.901 10.005 -3.084 1.00 0.22 C ATOM 1488 CG TYR A 97 2.192 8.539 -2.824 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.244 7.554 -3.086 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.416 8.142 -2.298 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.510 6.221 -2.837 1.00 1.31 C ATOM 1492 CE2 TYR A 97 3.687 6.811 -2.043 1.00 1.14 C ATOM 1493 CZ TYR A 97 2.731 5.855 -2.315 1.00 0.32 C ATOM 1494 OH TYR A 97 2.996 4.528 -2.055 1.00 0.38 O ATOM 0 H TYR A 97 1.129 12.375 -4.427 1.00 0.23 H new ATOM 0 HA TYR A 97 2.463 9.825 -5.140 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.716 10.601 -2.674 1.00 0.22 H new ATOM 0 HB3 TYR A 97 0.998 10.284 -2.541 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.284 7.837 -3.491 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.168 8.887 -2.085 1.00 1.14 H new ATOM 0 HE1 TYR A 97 0.764 5.470 -3.051 1.00 1.31 H new ATOM 0 HE2 TYR A 97 4.643 6.521 -1.633 1.00 1.14 H new ATOM 0 HH TYR A 97 3.902 4.441 -1.691 1.00 0.38 H new ATOM 1504 N HIS A 98 0.284 8.932 -5.861 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.959 8.430 -6.428 1.00 0.22 C ATOM 1506 C HIS A 98 -1.084 6.939 -6.140 1.00 0.21 C ATOM 1507 O HIS A 98 -0.390 6.129 -6.749 1.00 0.24 O ATOM 1508 CB HIS A 98 -0.979 8.703 -7.941 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.229 8.274 -8.647 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.447 8.896 -8.477 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -2.435 7.293 -9.553 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.346 8.315 -9.246 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -3.758 7.342 -9.918 1.00 1.09 N ATOM 0 H HIS A 98 1.110 8.407 -6.149 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.808 8.940 -5.974 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.837 9.771 -8.104 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.130 8.195 -8.398 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -1.695 6.598 -9.922 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.388 8.589 -9.315 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -4.211 6.729 -10.596 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.958 6.587 -5.206 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.149 5.190 -4.821 1.00 0.22 C ATOM 1524 C HIS A 99 -3.511 4.661 -5.266 1.00 0.21 C ATOM 1525 O HIS A 99 -4.550 5.178 -4.852 1.00 0.23 O ATOM 1526 CB HIS A 99 -2.015 5.052 -3.296 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.450 3.733 -2.847 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.368 3.675 -2.003 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -1.864 2.468 -3.120 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.140 2.390 -1.789 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.019 1.621 -2.443 1.00 0.49 N ATOM 0 H HIS A 99 -2.547 7.248 -4.699 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.381 4.598 -5.319 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.377 5.854 -2.924 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.996 5.188 -2.842 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -2.696 2.183 -3.747 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.655 2.009 -1.165 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.055 0.602 -2.440 1.00 0.49 H new ATOM 1539 N THR A 100 -3.490 3.647 -6.121 1.00 0.22 N ATOM 1540 CA THR A 100 -4.711 3.018 -6.609 1.00 0.22 C ATOM 1541 C THR A 100 -4.644 1.509 -6.422 1.00 0.23 C ATOM 1542 O THR A 100 -3.653 0.875 -6.799 1.00 0.31 O ATOM 1543 CB THR A 100 -4.962 3.318 -8.098 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.795 3.005 -8.869 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.333 4.774 -8.301 1.00 0.24 C ATOM 0 H THR A 100 -2.633 3.239 -6.494 1.00 0.22 H new ATOM 0 HA THR A 100 -5.532 3.435 -6.027 1.00 0.22 H new ATOM 0 HB THR A 100 -5.793 2.697 -8.433 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.373 2.197 -8.510 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.505 4.961 -9.361 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.240 5.000 -7.740 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.521 5.409 -7.948 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.696 0.947 -5.845 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.776 -0.485 -5.606 1.00 0.23 C ATOM 1555 C ALA A 101 -6.891 -1.090 -6.445 1.00 0.22 C ATOM 1556 O ALA A 101 -8.015 -0.581 -6.455 1.00 0.23 O ATOM 1557 CB ALA A 101 -6.008 -0.769 -4.126 1.00 0.26 C ATOM 0 H ALA A 101 -6.514 1.469 -5.531 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.830 -0.942 -5.896 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -6.065 -1.846 -3.967 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -5.183 -0.359 -3.543 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.942 -0.305 -3.809 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.580 -2.163 -7.155 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.562 -2.819 -8.001 1.00 0.23 C ATOM 1565 C GLU A 102 -7.250 -4.299 -8.150 1.00 0.24 C ATOM 1566 O GLU A 102 -6.163 -4.761 -7.796 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.621 -2.166 -9.383 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.273 -2.070 -10.069 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.152 -0.834 -10.938 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -6.296 0.294 -10.414 1.00 1.38 O ATOM 1571 OE2 GLU A 102 -5.920 -0.978 -12.155 1.00 1.18 O ATOM 0 H GLU A 102 -5.657 -2.597 -7.162 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.533 -2.709 -7.518 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.301 -2.736 -10.016 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -8.041 -1.165 -9.285 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.485 -2.059 -9.316 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.116 -2.958 -10.682 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.209 -5.024 -8.691 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.075 -6.453 -8.894 1.00 0.29 C ATOM 1580 C ILE A 103 -7.951 -6.762 -10.376 1.00 0.31 C ATOM 1581 O ILE A 103 -8.811 -6.383 -11.173 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.285 -7.226 -8.326 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.634 -6.735 -6.914 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.002 -8.721 -8.319 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.588 -7.075 -5.873 1.00 0.37 C ATOM 0 H ILE A 103 -9.101 -4.640 -9.002 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.177 -6.772 -8.365 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.144 -7.038 -8.970 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.771 -5.654 -6.939 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.587 -7.170 -6.613 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -9.864 -9.253 -7.916 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -8.810 -9.060 -9.337 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.129 -8.923 -7.699 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.905 -6.696 -4.901 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.467 -8.157 -5.818 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.638 -6.617 -6.149 1.00 0.37 H new ATOM 1597 N SER A 104 -6.884 -7.440 -10.744 1.00 0.34 N ATOM 1598 CA SER A 104 -6.663 -7.802 -12.127 1.00 0.38 C ATOM 1599 C SER A 104 -6.318 -9.282 -12.242 1.00 0.48 C ATOM 1600 O SER A 104 -5.208 -9.704 -11.914 1.00 0.88 O ATOM 1601 CB SER A 104 -5.566 -6.922 -12.726 1.00 0.55 C ATOM 1602 OG SER A 104 -6.090 -5.660 -13.120 1.00 1.37 O ATOM 0 H SER A 104 -6.155 -7.752 -10.102 1.00 0.34 H new ATOM 0 HA SER A 104 -7.579 -7.634 -12.693 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.770 -6.778 -11.996 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.122 -7.422 -13.587 1.00 0.55 H new ATOM 0 HG SER A 104 -5.372 -5.111 -13.499 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.297 -10.067 -12.675 1.00 0.53 N ATOM 1609 CA GLY A 105 -7.106 -11.498 -12.828 1.00 0.64 C ATOM 1610 C GLY A 105 -7.023 -12.223 -11.499 1.00 0.63 C ATOM 1611 O GLY A 105 -6.314 -13.220 -11.372 1.00 0.96 O ATOM 0 H GLY A 105 -8.228 -9.735 -12.925 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.930 -11.910 -13.411 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -6.192 -11.680 -13.394 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.742 -11.715 -10.504 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.724 -12.329 -9.186 1.00 0.50 C ATOM 1617 C GLY A 106 -6.461 -11.987 -8.417 1.00 0.44 C ATOM 1618 O GLY A 106 -6.068 -12.696 -7.491 1.00 0.48 O ATOM 0 H GLY A 106 -8.337 -10.890 -10.585 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.594 -11.997 -8.620 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.804 -13.411 -9.289 1.00 0.50 H new ATOM 1622 N LYS A 107 -5.820 -10.901 -8.817 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.601 -10.446 -8.168 1.00 0.35 C ATOM 1624 C LYS A 107 -4.708 -8.977 -7.812 1.00 0.32 C ATOM 1625 O LYS A 107 -5.249 -8.178 -8.583 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.389 -10.658 -9.078 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.663 -11.971 -8.838 1.00 0.38 C ATOM 1628 CD LYS A 107 -3.125 -13.050 -9.803 1.00 0.66 C ATOM 1629 CE LYS A 107 -2.285 -14.308 -9.675 1.00 0.75 C ATOM 1630 NZ LYS A 107 -2.259 -14.825 -8.285 1.00 1.22 N ATOM 0 H LYS A 107 -6.126 -10.315 -9.593 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.469 -11.031 -7.258 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.716 -10.619 -10.117 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.689 -9.835 -8.933 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -1.589 -11.819 -8.948 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -2.835 -12.301 -7.813 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -4.171 -13.289 -9.610 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -3.067 -12.675 -10.825 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -2.681 -15.076 -10.339 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -1.267 -14.098 -10.002 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -2.181 -15.862 -8.302 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -1.442 -14.425 -7.781 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -3.135 -14.551 -7.796 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.201 -8.633 -6.642 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.209 -7.261 -6.176 1.00 0.28 C ATOM 1646 C LEU A 108 -2.984 -6.551 -6.721 1.00 0.27 C ATOM 1647 O LEU A 108 -1.855 -6.947 -6.437 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.204 -7.226 -4.641 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.398 -5.857 -3.971 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.090 -5.085 -3.910 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.477 -5.042 -4.673 1.00 0.76 C ATOM 0 H LEU A 108 -3.775 -9.294 -5.992 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.110 -6.758 -6.528 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -4.991 -7.891 -4.285 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.256 -7.640 -4.296 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.730 -6.038 -2.949 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.259 -4.121 -3.431 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.359 -5.653 -3.335 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -2.713 -4.927 -4.921 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.589 -4.080 -4.174 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.192 -4.881 -5.713 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.423 -5.582 -4.636 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.199 -5.529 -7.517 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.096 -4.783 -8.076 1.00 0.29 C ATOM 1665 C VAL A 109 -2.237 -3.311 -7.721 1.00 0.29 C ATOM 1666 O VAL A 109 -3.097 -2.602 -8.246 1.00 0.33 O ATOM 1667 CB VAL A 109 -1.971 -4.979 -9.606 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.318 -4.803 -10.300 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -0.927 -4.036 -10.187 1.00 0.32 C ATOM 0 H VAL A 109 -4.124 -5.196 -7.791 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.175 -5.169 -7.639 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.641 -6.002 -9.786 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.196 -4.947 -11.374 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.025 -5.537 -9.914 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.697 -3.799 -10.109 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.856 -4.191 -11.264 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.217 -3.004 -9.987 1.00 0.32 H new ATOM 0 HG23 VAL A 109 0.041 -4.236 -9.727 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.414 -2.870 -6.796 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.438 -1.493 -6.356 1.00 0.30 C ATOM 1681 C GLU A 110 -0.392 -0.686 -7.097 1.00 0.28 C ATOM 1682 O GLU A 110 0.744 -1.134 -7.274 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.185 -1.409 -4.854 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.448 -1.479 -4.014 1.00 0.71 C ATOM 1685 CD GLU A 110 -2.145 -1.679 -2.547 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.105 -1.172 -2.077 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -2.927 -2.361 -1.860 1.00 1.45 O ATOM 0 H GLU A 110 -0.715 -3.450 -6.331 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.424 -1.081 -6.572 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.520 -2.221 -4.561 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.665 -0.476 -4.634 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.020 -0.560 -4.144 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -3.074 -2.297 -4.369 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.789 0.487 -7.548 1.00 0.26 N ATOM 1695 CA ILE A 111 0.115 1.372 -8.250 1.00 0.24 C ATOM 1696 C ILE A 111 0.348 2.615 -7.409 1.00 0.25 C ATOM 1697 O ILE A 111 -0.601 3.233 -6.928 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.404 1.777 -9.655 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.422 0.570 -10.601 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.467 2.880 -10.241 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -1.748 -0.159 -10.654 1.00 0.37 C ATOM 0 H ILE A 111 -1.736 0.849 -7.440 1.00 0.26 H new ATOM 0 HA ILE A 111 1.048 0.830 -8.404 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.424 2.146 -9.545 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.165 0.906 -11.605 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.353 -0.131 -10.292 1.00 0.29 H new ATOM 0 HG21 ILE A 111 0.092 3.155 -11.227 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.440 3.751 -9.587 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.494 2.525 -10.330 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -1.674 -0.998 -11.346 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.000 -0.529 -9.660 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.526 0.525 -10.994 1.00 0.37 H new ATOM 1713 N SER A 112 1.613 2.942 -7.200 1.00 0.23 N ATOM 1714 CA SER A 112 1.996 4.104 -6.425 1.00 0.24 C ATOM 1715 C SER A 112 2.888 5.014 -7.254 1.00 0.22 C ATOM 1716 O SER A 112 4.064 4.718 -7.473 1.00 0.25 O ATOM 1717 CB SER A 112 2.730 3.675 -5.156 1.00 0.28 C ATOM 1718 OG SER A 112 1.939 2.796 -4.378 1.00 0.37 O ATOM 0 H SER A 112 2.401 2.407 -7.564 1.00 0.23 H new ATOM 0 HA SER A 112 1.094 4.648 -6.145 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.667 3.185 -5.423 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.987 4.555 -4.566 1.00 0.28 H new ATOM 0 HG SER A 112 2.011 3.042 -3.432 1.00 0.37 H new ATOM 1724 N THR A 113 2.322 6.099 -7.738 1.00 0.22 N ATOM 1725 CA THR A 113 3.073 7.049 -8.527 1.00 0.22 C ATOM 1726 C THR A 113 3.645 8.130 -7.634 1.00 0.23 C ATOM 1727 O THR A 113 2.903 8.789 -6.909 1.00 0.26 O ATOM 1728 CB THR A 113 2.190 7.710 -9.588 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.051 6.882 -9.869 1.00 0.27 O ATOM 1730 CG2 THR A 113 2.979 7.958 -10.859 1.00 0.27 C ATOM 0 H THR A 113 1.342 6.345 -7.598 1.00 0.22 H new ATOM 0 HA THR A 113 3.876 6.503 -9.021 1.00 0.22 H new ATOM 0 HB THR A 113 1.845 8.669 -9.201 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.492 7.314 -10.548 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.334 8.428 -11.601 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.822 8.614 -10.642 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.349 7.010 -11.248 1.00 0.27 H new ATOM 1738 N SER A 114 4.952 8.307 -7.675 1.00 0.25 N ATOM 1739 CA SER A 114 5.594 9.317 -6.867 1.00 0.30 C ATOM 1740 C SER A 114 6.574 10.115 -7.700 1.00 0.29 C ATOM 1741 O SER A 114 7.629 9.611 -8.103 1.00 0.30 O ATOM 1742 CB SER A 114 6.300 8.684 -5.671 1.00 0.38 C ATOM 1743 OG SER A 114 5.359 8.142 -4.764 1.00 1.43 O ATOM 0 H SER A 114 5.586 7.763 -8.260 1.00 0.25 H new ATOM 0 HA SER A 114 4.827 9.994 -6.491 1.00 0.30 H new ATOM 0 HB2 SER A 114 6.975 7.900 -6.014 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.911 9.432 -5.165 1.00 0.38 H new ATOM 0 HG SER A 114 5.724 7.325 -4.363 1.00 1.43 H new ATOM 1749 N SER A 115 6.181 11.343 -8.001 1.00 0.37 N ATOM 1750 CA SER A 115 6.997 12.261 -8.777 1.00 0.47 C ATOM 1751 C SER A 115 7.345 11.688 -10.153 1.00 0.47 C ATOM 1752 O SER A 115 8.442 11.910 -10.674 1.00 0.57 O ATOM 1753 CB SER A 115 8.263 12.613 -7.993 1.00 0.54 C ATOM 1754 OG SER A 115 7.950 12.978 -6.655 1.00 0.63 O ATOM 0 H SER A 115 5.283 11.732 -7.712 1.00 0.37 H new ATOM 0 HA SER A 115 6.420 13.169 -8.950 1.00 0.47 H new ATOM 0 HB2 SER A 115 8.943 11.761 -7.992 1.00 0.54 H new ATOM 0 HB3 SER A 115 8.783 13.435 -8.485 1.00 0.54 H new ATOM 0 HG SER A 115 8.775 13.197 -6.174 1.00 0.63 H new ATOM 1760 N GLY A 116 6.412 10.946 -10.739 1.00 0.42 N ATOM 1761 CA GLY A 116 6.637 10.379 -12.056 1.00 0.46 C ATOM 1762 C GLY A 116 6.914 8.886 -12.034 1.00 0.40 C ATOM 1763 O GLY A 116 6.486 8.162 -12.935 1.00 0.46 O ATOM 0 H GLY A 116 5.505 10.727 -10.327 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.763 10.569 -12.679 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.479 10.890 -12.524 1.00 0.46 H new ATOM 1767 N VAL A 117 7.632 8.426 -11.017 1.00 0.33 N ATOM 1768 CA VAL A 117 7.965 7.010 -10.895 1.00 0.29 C ATOM 1769 C VAL A 117 6.740 6.194 -10.498 1.00 0.28 C ATOM 1770 O VAL A 117 6.133 6.433 -9.453 1.00 0.29 O ATOM 1771 CB VAL A 117 9.095 6.774 -9.872 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.325 5.286 -9.661 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.378 7.445 -10.334 1.00 0.53 C ATOM 0 H VAL A 117 7.995 9.011 -10.265 1.00 0.33 H new ATOM 0 HA VAL A 117 8.314 6.682 -11.874 1.00 0.29 H new ATOM 0 HB VAL A 117 8.793 7.215 -8.922 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.126 5.141 -8.936 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.410 4.826 -9.288 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.604 4.823 -10.608 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.165 7.269 -9.601 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.679 7.031 -11.296 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.211 8.517 -10.437 1.00 0.53 H new ATOM 1783 N VAL A 118 6.372 5.252 -11.355 1.00 0.27 N ATOM 1784 CA VAL A 118 5.223 4.391 -11.114 1.00 0.27 C ATOM 1785 C VAL A 118 5.648 3.075 -10.480 1.00 0.25 C ATOM 1786 O VAL A 118 6.283 2.238 -11.124 1.00 0.29 O ATOM 1787 CB VAL A 118 4.465 4.084 -12.418 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.262 3.196 -12.146 1.00 0.97 C ATOM 1789 CG2 VAL A 118 4.030 5.370 -13.089 1.00 0.86 C ATOM 0 H VAL A 118 6.858 5.064 -12.232 1.00 0.27 H new ATOM 0 HA VAL A 118 4.565 4.931 -10.433 1.00 0.27 H new ATOM 0 HB VAL A 118 5.139 3.550 -13.088 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.741 2.992 -13.082 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.595 2.257 -11.704 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.585 3.701 -11.457 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.495 5.137 -14.010 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.374 5.926 -12.419 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.907 5.974 -13.322 1.00 0.86 H new ATOM 1799 N TYR A 119 5.297 2.901 -9.221 1.00 0.22 N ATOM 1800 CA TYR A 119 5.622 1.681 -8.497 1.00 0.21 C ATOM 1801 C TYR A 119 4.424 0.747 -8.503 1.00 0.22 C ATOM 1802 O TYR A 119 3.313 1.151 -8.174 1.00 0.29 O ATOM 1803 CB TYR A 119 6.025 2.002 -7.054 1.00 0.22 C ATOM 1804 CG TYR A 119 6.238 0.785 -6.181 1.00 0.21 C ATOM 1805 CD1 TYR A 119 7.277 -0.099 -6.431 1.00 1.21 C ATOM 1806 CD2 TYR A 119 5.403 0.526 -5.102 1.00 1.17 C ATOM 1807 CE1 TYR A 119 7.477 -1.209 -5.636 1.00 1.22 C ATOM 1808 CE2 TYR A 119 5.596 -0.581 -4.300 1.00 1.20 C ATOM 1809 CZ TYR A 119 6.633 -1.446 -4.570 1.00 0.34 C ATOM 1810 OH TYR A 119 6.826 -2.554 -3.775 1.00 0.43 O ATOM 0 H TYR A 119 4.784 3.591 -8.673 1.00 0.22 H new ATOM 0 HA TYR A 119 6.463 1.195 -8.991 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.943 2.590 -7.068 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.253 2.627 -6.604 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.941 0.085 -7.263 1.00 1.21 H new ATOM 0 HD2 TYR A 119 4.589 1.202 -4.887 1.00 1.17 H new ATOM 0 HE1 TYR A 119 8.290 -1.889 -5.847 1.00 1.22 H new ATOM 0 HE2 TYR A 119 4.937 -0.768 -3.465 1.00 1.20 H new ATOM 0 HH TYR A 119 6.147 -2.572 -3.069 1.00 0.43 H new ATOM 1820 N LYS A 120 4.641 -0.488 -8.905 1.00 0.21 N ATOM 1821 CA LYS A 120 3.576 -1.475 -8.939 1.00 0.23 C ATOM 1822 C LYS A 120 3.901 -2.644 -8.026 1.00 0.24 C ATOM 1823 O LYS A 120 5.051 -3.061 -7.927 1.00 0.29 O ATOM 1824 CB LYS A 120 3.373 -1.995 -10.356 1.00 0.28 C ATOM 1825 CG LYS A 120 2.835 -0.960 -11.321 1.00 0.31 C ATOM 1826 CD LYS A 120 3.099 -1.369 -12.755 1.00 0.46 C ATOM 1827 CE LYS A 120 2.703 -0.276 -13.729 1.00 0.87 C ATOM 1828 NZ LYS A 120 3.544 -0.310 -14.952 1.00 1.17 N ATOM 0 H LYS A 120 5.549 -0.836 -9.215 1.00 0.21 H new ATOM 0 HA LYS A 120 2.662 -0.990 -8.596 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.324 -2.370 -10.734 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.686 -2.841 -10.327 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.763 -0.835 -11.166 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.301 0.005 -11.122 1.00 0.31 H new ATOM 0 HD2 LYS A 120 4.157 -1.602 -12.879 1.00 0.46 H new ATOM 0 HD3 LYS A 120 2.544 -2.279 -12.983 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.655 -0.393 -14.003 1.00 0.87 H new ATOM 0 HE3 LYS A 120 2.800 0.696 -13.246 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 3.607 0.646 -15.357 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 4.498 -0.646 -14.708 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 3.118 -0.954 -15.649 1.00 1.17 H new ATOM 1842 N ARG A 121 2.887 -3.155 -7.353 1.00 0.25 N ATOM 1843 CA ARG A 121 3.061 -4.299 -6.480 1.00 0.28 C ATOM 1844 C ARG A 121 1.911 -5.275 -6.671 1.00 0.28 C ATOM 1845 O ARG A 121 0.742 -4.931 -6.497 1.00 0.34 O ATOM 1846 CB ARG A 121 3.202 -3.869 -5.007 1.00 0.36 C ATOM 1847 CG ARG A 121 1.937 -3.321 -4.363 1.00 0.59 C ATOM 1848 CD ARG A 121 1.316 -4.328 -3.398 1.00 0.84 C ATOM 1849 NE ARG A 121 0.435 -3.687 -2.427 1.00 1.20 N ATOM 1850 CZ ARG A 121 -0.066 -4.295 -1.350 1.00 1.59 C ATOM 1851 NH1 ARG A 121 0.142 -5.590 -1.140 1.00 1.88 N ATOM 1852 NH2 ARG A 121 -0.820 -3.612 -0.507 1.00 2.48 N ATOM 0 H ARG A 121 1.934 -2.795 -7.395 1.00 0.25 H new ATOM 0 HA ARG A 121 3.989 -4.803 -6.750 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.542 -4.727 -4.427 1.00 0.36 H new ATOM 0 HB3 ARG A 121 3.981 -3.110 -4.941 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.170 -2.400 -3.829 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.215 -3.066 -5.138 1.00 0.59 H new ATOM 0 HD2 ARG A 121 0.753 -5.071 -3.963 1.00 0.84 H new ATOM 0 HD3 ARG A 121 2.108 -4.861 -2.872 1.00 0.84 H new ATOM 0 HE ARG A 121 0.186 -2.710 -2.582 1.00 1.20 H new ATOM 0 HH11 ARG A 121 0.691 -6.133 -1.806 1.00 1.88 H new ATOM 0 HH12 ARG A 121 -0.247 -6.041 -0.312 1.00 1.88 H new ATOM 0 HH21 ARG A 121 -1.016 -2.626 -0.681 1.00 2.48 H new ATOM 0 HH22 ARG A 121 -1.206 -4.070 0.318 1.00 2.48 H new ATOM 1866 N THR A 122 2.253 -6.479 -7.073 1.00 0.27 N ATOM 1867 CA THR A 122 1.272 -7.518 -7.294 1.00 0.27 C ATOM 1868 C THR A 122 1.196 -8.424 -6.077 1.00 0.25 C ATOM 1869 O THR A 122 2.222 -8.828 -5.526 1.00 0.29 O ATOM 1870 CB THR A 122 1.634 -8.365 -8.524 1.00 0.31 C ATOM 1871 OG1 THR A 122 2.422 -7.584 -9.435 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.381 -8.868 -9.223 1.00 0.34 C ATOM 0 H THR A 122 3.215 -6.765 -7.255 1.00 0.27 H new ATOM 0 HA THR A 122 0.308 -7.039 -7.465 1.00 0.27 H new ATOM 0 HB THR A 122 2.211 -9.228 -8.192 1.00 0.31 H new ATOM 0 HG1 THR A 122 2.518 -8.067 -10.282 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.663 -9.465 -10.090 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.199 -9.481 -8.533 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.221 -8.019 -9.547 1.00 0.34 H new ATOM 1880 N SER A 123 -0.009 -8.706 -5.632 1.00 0.24 N ATOM 1881 CA SER A 123 -0.208 -9.579 -4.493 1.00 0.23 C ATOM 1882 C SER A 123 -1.317 -10.580 -4.790 1.00 0.23 C ATOM 1883 O SER A 123 -2.383 -10.215 -5.286 1.00 0.25 O ATOM 1884 CB SER A 123 -0.525 -8.756 -3.243 1.00 0.25 C ATOM 1885 OG SER A 123 0.436 -7.722 -3.067 1.00 0.38 O ATOM 0 H SER A 123 -0.869 -8.343 -6.042 1.00 0.24 H new ATOM 0 HA SER A 123 0.710 -10.135 -4.304 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.521 -8.323 -3.329 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.534 -9.404 -2.367 1.00 0.25 H new ATOM 0 HG SER A 123 1.092 -7.997 -2.393 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.052 -11.846 -4.514 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.030 -12.896 -4.762 1.00 0.25 C ATOM 1893 C LYS A 124 -3.076 -12.945 -3.651 1.00 0.22 C ATOM 1894 O LYS A 124 -2.787 -12.598 -2.501 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.336 -14.256 -4.892 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.667 -14.727 -3.608 1.00 0.31 C ATOM 1897 CD LYS A 124 -0.017 -16.091 -3.767 1.00 0.43 C ATOM 1898 CE LYS A 124 0.714 -16.510 -2.496 1.00 0.61 C ATOM 1899 NZ LYS A 124 1.308 -17.870 -2.605 1.00 1.45 N ATOM 0 H LYS A 124 -0.170 -12.173 -4.119 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.537 -12.667 -5.700 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.069 -15.000 -5.203 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.587 -14.198 -5.681 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.087 -14.000 -3.305 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.407 -14.770 -2.809 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.778 -16.832 -4.012 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.685 -16.067 -4.601 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.502 -15.789 -2.279 1.00 0.61 H new ATOM 0 HE3 LYS A 124 0.020 -16.486 -1.656 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 1.793 -18.109 -1.717 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 0.555 -18.564 -2.786 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 1.991 -17.889 -3.389 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.287 -13.356 -4.006 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.372 -13.463 -3.041 1.00 0.23 C ATOM 1915 C LYS A 125 -5.398 -14.855 -2.431 1.00 0.25 C ATOM 1916 O LYS A 125 -5.584 -15.855 -3.130 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.722 -13.137 -3.690 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.666 -12.361 -2.769 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.042 -13.149 -1.525 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.213 -14.071 -1.789 1.00 0.39 C ATOM 1921 NZ LYS A 125 -9.369 -15.098 -0.730 1.00 1.45 N ATOM 0 H LYS A 125 -4.542 -13.621 -4.957 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.196 -12.735 -2.249 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.551 -12.556 -4.596 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.205 -14.066 -3.994 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.192 -11.425 -2.473 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.571 -12.100 -3.318 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.185 -13.733 -1.190 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.294 -12.460 -0.718 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -10.128 -13.482 -1.859 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -9.076 -14.563 -2.752 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -10.183 -15.706 -0.953 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -8.507 -15.678 -0.679 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -9.527 -14.631 0.186 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.195 -14.907 -1.130 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.187 -16.155 -0.399 1.00 0.28 C ATOM 1937 C ILE A 126 -6.035 -16.022 0.854 1.00 0.30 C ATOM 1938 O ILE A 126 -6.506 -14.927 1.182 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.769 -16.588 0.026 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.692 -15.798 -0.708 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.565 -18.068 -0.215 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.215 -14.591 0.058 1.00 0.27 C ATOM 0 H ILE A 126 -5.031 -14.084 -0.551 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.589 -16.912 -1.072 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.678 -16.380 1.092 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -1.843 -16.452 -0.908 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.081 -15.477 -1.674 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.558 -18.351 0.092 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.294 -18.635 0.364 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -3.696 -18.285 -1.275 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.449 -14.073 -0.519 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.054 -13.918 0.235 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -1.797 -14.908 1.013 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.291 -17.139 1.510 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.053 -17.148 2.746 1.00 0.44 C ATOM 1956 C ALA A 127 -6.553 -18.282 3.637 1.00 0.67 C ATOM 1957 O ALA A 127 -6.545 -19.448 3.171 1.00 1.27 O ATOM 1958 CB ALA A 127 -8.538 -17.282 2.455 1.00 0.46 C ATOM 0 H ALA A 127 -5.979 -18.061 1.204 1.00 0.38 H new ATOM 0 HA ALA A 127 -6.910 -16.204 3.271 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.094 -17.287 3.393 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -8.866 -16.442 1.843 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -8.721 -18.214 1.920 1.00 0.46 H new