USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 638 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 66 ASN : amide:sc= -0.748! K(o=-0.75!,f=-2.8) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 33 SER OG : rot 180:sc= -0.317 USER MOD Set 2.2: A 44 GLN : amide:sc= -1.26 X(o=-1.6,f=-1.3) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -162:sc= 1.19 (180deg=-0.144) USER MOD Set 3.2: A 8 THR OG1 : rot 160:sc= 2.35 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.037 (180deg=0) USER MOD Single : A 2 SER OG : rot -43:sc= -0.595 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 178:sc= 1.28 USER MOD Single : A 15 LYS NZ :NH3+ 143:sc= -0.978 (180deg=-4.38!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0.949 (180deg=0.942) USER MOD Single : A 26 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 133:sc= 0.897 USER MOD Single : A 37 HIS : no HD1:sc=-0.00247 X(o=-0.0025,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.709 USER MOD Single : A 48 GLN : amide:sc= -3.46! C(o=-3.5!,f=-4.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.0275 K(o=0.027,f=-1.3!) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= -0.0321 (180deg=-0.236) USER MOD Single : A 69 THR OG1 : rot -41:sc= 0.15 USER MOD Single : A 83 ASN : amide:sc= -1.82! C(o=-1.8!,f=-8.7!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.227 -2.512 -10.777 1.00 5.75 N ATOM 2 CA GLY A 1 4.015 -3.244 -10.332 1.00 5.18 C ATOM 3 C GLY A 1 3.965 -3.404 -8.828 1.00 4.19 C ATOM 4 O GLY A 1 4.519 -2.584 -8.094 1.00 4.26 O ATOM 0 H1 GLY A 1 4.979 -1.873 -11.559 1.00 5.75 H new ATOM 0 H2 GLY A 1 5.608 -1.957 -9.984 1.00 5.75 H new ATOM 0 H3 GLY A 1 5.944 -3.192 -11.100 1.00 5.75 H new ATOM 0 HA2 GLY A 1 3.126 -2.711 -10.669 1.00 5.18 H new ATOM 0 HA3 GLY A 1 3.994 -4.228 -10.801 1.00 5.18 H new ATOM 10 N SER A 2 3.317 -4.464 -8.367 1.00 3.74 N ATOM 11 CA SER A 2 3.177 -4.711 -6.939 1.00 3.26 C ATOM 12 C SER A 2 4.103 -5.846 -6.498 1.00 2.09 C ATOM 13 O SER A 2 3.791 -6.603 -5.578 1.00 2.28 O ATOM 14 CB SER A 2 1.716 -5.044 -6.607 1.00 4.10 C ATOM 15 OG SER A 2 1.507 -5.118 -5.207 1.00 4.66 O ATOM 0 H SER A 2 2.879 -5.168 -8.962 1.00 3.74 H new ATOM 0 HA SER A 2 3.463 -3.810 -6.396 1.00 3.26 H new ATOM 0 HB2 SER A 2 1.062 -4.284 -7.034 1.00 4.10 H new ATOM 0 HB3 SER A 2 1.444 -5.994 -7.068 1.00 4.10 H new ATOM 0 HG SER A 2 2.248 -5.606 -4.791 1.00 4.66 H new ATOM 21 N GLY A 3 5.243 -5.962 -7.160 1.00 1.60 N ATOM 22 CA GLY A 3 6.206 -6.980 -6.800 1.00 1.30 C ATOM 23 C GLY A 3 7.245 -6.450 -5.837 1.00 1.09 C ATOM 24 O GLY A 3 8.341 -6.062 -6.248 1.00 1.32 O ATOM 0 H GLY A 3 5.519 -5.368 -7.942 1.00 1.60 H new ATOM 0 HA2 GLY A 3 5.689 -7.827 -6.348 1.00 1.30 H new ATOM 0 HA3 GLY A 3 6.698 -7.350 -7.699 1.00 1.30 H new ATOM 28 N TRP A 4 6.900 -6.414 -4.561 1.00 0.81 N ATOM 29 CA TRP A 4 7.803 -5.898 -3.544 1.00 0.60 C ATOM 30 C TRP A 4 8.453 -7.026 -2.753 1.00 0.62 C ATOM 31 O TRP A 4 8.320 -8.199 -3.109 1.00 0.74 O ATOM 32 CB TRP A 4 7.062 -4.939 -2.609 1.00 0.45 C ATOM 33 CG TRP A 4 6.738 -3.631 -3.257 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.511 -3.188 -3.658 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.668 -2.599 -3.592 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.623 -1.934 -4.211 1.00 0.40 N ATOM 37 CE2 TRP A 4 6.938 -1.553 -4.183 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.050 -2.457 -3.442 1.00 0.43 C ATOM 39 CZ2 TRP A 4 7.545 -0.382 -4.627 1.00 0.45 C ATOM 40 CZ3 TRP A 4 9.652 -1.296 -3.882 1.00 0.52 C ATOM 41 CH2 TRP A 4 8.901 -0.272 -4.468 1.00 0.52 C ATOM 0 H TRP A 4 6.001 -6.736 -4.204 1.00 0.81 H new ATOM 0 HA TRP A 4 8.598 -5.349 -4.049 1.00 0.60 H new ATOM 0 HB2 TRP A 4 6.139 -5.410 -2.271 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.671 -4.759 -1.723 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.589 -3.741 -3.556 1.00 0.42 H new ATOM 0 HE1 TRP A 4 4.852 -1.378 -4.582 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.637 -3.243 -2.989 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 6.968 0.411 -5.080 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 10.720 -1.176 -3.772 1.00 0.52 H new ATOM 0 HH2 TRP A 4 9.401 0.625 -4.802 1.00 0.52 H new ATOM 52 N GLU A 5 9.177 -6.661 -1.701 1.00 0.66 N ATOM 53 CA GLU A 5 9.861 -7.629 -0.852 1.00 0.73 C ATOM 54 C GLU A 5 8.877 -8.614 -0.217 1.00 0.67 C ATOM 55 O GLU A 5 8.055 -8.252 0.629 1.00 0.78 O ATOM 56 CB GLU A 5 10.674 -6.901 0.221 1.00 0.96 C ATOM 57 CG GLU A 5 9.905 -5.797 0.924 1.00 1.49 C ATOM 58 CD GLU A 5 10.688 -5.161 2.051 1.00 2.14 C ATOM 59 OE1 GLU A 5 10.604 -5.667 3.190 1.00 2.65 O ATOM 60 OE2 GLU A 5 11.392 -4.161 1.802 1.00 2.73 O ATOM 0 H GLU A 5 9.306 -5.691 -1.414 1.00 0.66 H new ATOM 0 HA GLU A 5 10.541 -8.209 -1.476 1.00 0.73 H new ATOM 0 HB2 GLU A 5 11.012 -7.625 0.962 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.566 -6.475 -0.238 1.00 0.96 H new ATOM 0 HG2 GLU A 5 9.635 -5.030 0.198 1.00 1.49 H new ATOM 0 HG3 GLU A 5 8.974 -6.204 1.319 1.00 1.49 H new ATOM 67 N SER A 6 8.961 -9.862 -0.641 1.00 0.74 N ATOM 68 CA SER A 6 8.064 -10.895 -0.153 1.00 0.87 C ATOM 69 C SER A 6 8.733 -11.733 0.934 1.00 0.88 C ATOM 70 O SER A 6 8.057 -12.377 1.735 1.00 0.90 O ATOM 71 CB SER A 6 7.621 -11.782 -1.316 1.00 1.16 C ATOM 72 OG SER A 6 7.058 -10.996 -2.356 1.00 1.75 O ATOM 0 H SER A 6 9.644 -10.186 -1.325 1.00 0.74 H new ATOM 0 HA SER A 6 7.189 -10.417 0.287 1.00 0.87 H new ATOM 0 HB2 SER A 6 8.474 -12.344 -1.698 1.00 1.16 H new ATOM 0 HB3 SER A 6 6.890 -12.511 -0.967 1.00 1.16 H new ATOM 0 HG SER A 6 6.781 -11.579 -3.093 1.00 1.75 H new ATOM 78 N LYS A 7 10.065 -11.695 0.975 1.00 0.95 N ATOM 79 CA LYS A 7 10.829 -12.494 1.932 1.00 1.09 C ATOM 80 C LYS A 7 10.576 -12.029 3.363 1.00 1.03 C ATOM 81 O LYS A 7 10.856 -12.748 4.320 1.00 1.09 O ATOM 82 CB LYS A 7 12.335 -12.438 1.621 1.00 1.37 C ATOM 83 CG LYS A 7 13.066 -11.205 2.159 1.00 1.65 C ATOM 84 CD LYS A 7 12.624 -9.918 1.479 1.00 2.11 C ATOM 85 CE LYS A 7 13.396 -8.712 2.001 1.00 2.79 C ATOM 86 NZ LYS A 7 13.197 -8.500 3.461 1.00 3.24 N ATOM 0 H LYS A 7 10.637 -11.120 0.357 1.00 0.95 H new ATOM 0 HA LYS A 7 10.491 -13.526 1.838 1.00 1.09 H new ATOM 0 HB2 LYS A 7 12.808 -13.330 2.033 1.00 1.37 H new ATOM 0 HB3 LYS A 7 12.468 -12.477 0.540 1.00 1.37 H new ATOM 0 HG2 LYS A 7 12.891 -11.123 3.232 1.00 1.65 H new ATOM 0 HG3 LYS A 7 14.139 -11.335 2.020 1.00 1.65 H new ATOM 0 HD2 LYS A 7 12.771 -10.006 0.403 1.00 2.11 H new ATOM 0 HD3 LYS A 7 11.557 -9.767 1.644 1.00 2.11 H new ATOM 0 HE2 LYS A 7 14.458 -8.848 1.798 1.00 2.79 H new ATOM 0 HE3 LYS A 7 13.080 -7.820 1.461 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 13.474 -7.530 3.712 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 12.195 -8.647 3.700 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 13.782 -9.176 3.993 1.00 3.24 H new ATOM 100 N THR A 8 10.041 -10.825 3.498 1.00 1.01 N ATOM 101 CA THR A 8 9.778 -10.254 4.803 1.00 1.08 C ATOM 102 C THR A 8 8.583 -10.936 5.468 1.00 0.93 C ATOM 103 O THR A 8 8.521 -11.054 6.692 1.00 1.03 O ATOM 104 CB THR A 8 9.529 -8.740 4.686 1.00 1.25 C ATOM 105 OG1 THR A 8 10.488 -8.174 3.784 1.00 2.05 O ATOM 106 CG2 THR A 8 9.646 -8.059 6.043 1.00 1.66 C ATOM 0 H THR A 8 9.781 -10.226 2.715 1.00 1.01 H new ATOM 0 HA THR A 8 10.656 -10.419 5.427 1.00 1.08 H new ATOM 0 HB THR A 8 8.518 -8.582 4.310 1.00 1.25 H new ATOM 0 HG1 THR A 8 10.156 -7.314 3.451 1.00 2.05 H new ATOM 0 HG21 THR A 8 9.465 -6.990 5.930 1.00 1.66 H new ATOM 0 HG22 THR A 8 8.910 -8.481 6.727 1.00 1.66 H new ATOM 0 HG23 THR A 8 10.647 -8.217 6.445 1.00 1.66 H new ATOM 114 N GLY A 9 7.648 -11.408 4.642 1.00 0.79 N ATOM 115 CA GLY A 9 6.477 -12.102 5.151 1.00 0.79 C ATOM 116 C GLY A 9 5.519 -11.169 5.859 1.00 0.69 C ATOM 117 O GLY A 9 4.638 -11.609 6.599 1.00 0.88 O ATOM 0 H GLY A 9 7.683 -11.321 3.626 1.00 0.79 H new ATOM 0 HA2 GLY A 9 5.960 -12.592 4.326 1.00 0.79 H new ATOM 0 HA3 GLY A 9 6.793 -12.886 5.839 1.00 0.79 H new ATOM 121 N SER A 10 5.682 -9.880 5.618 1.00 0.61 N ATOM 122 CA SER A 10 4.944 -8.861 6.340 1.00 0.73 C ATOM 123 C SER A 10 3.586 -8.589 5.702 1.00 0.64 C ATOM 124 O SER A 10 2.688 -8.041 6.341 1.00 0.73 O ATOM 125 CB SER A 10 5.775 -7.582 6.376 1.00 0.96 C ATOM 126 OG SER A 10 6.201 -7.219 5.072 1.00 1.72 O ATOM 0 H SER A 10 6.327 -9.512 4.919 1.00 0.61 H new ATOM 0 HA SER A 10 4.759 -9.218 7.353 1.00 0.73 H new ATOM 0 HB2 SER A 10 5.187 -6.773 6.809 1.00 0.96 H new ATOM 0 HB3 SER A 10 6.643 -7.725 7.020 1.00 0.96 H new ATOM 0 HG SER A 10 6.731 -6.396 5.118 1.00 1.72 H new ATOM 132 N CYS A 11 3.439 -8.974 4.446 1.00 0.52 N ATOM 133 CA CYS A 11 2.219 -8.685 3.710 1.00 0.44 C ATOM 134 C CYS A 11 1.681 -9.941 3.025 1.00 0.41 C ATOM 135 O CYS A 11 2.448 -10.784 2.554 1.00 0.43 O ATOM 136 CB CYS A 11 2.509 -7.596 2.677 1.00 0.41 C ATOM 137 SG CYS A 11 1.025 -6.815 1.966 1.00 1.19 S ATOM 0 H CYS A 11 4.145 -9.485 3.916 1.00 0.52 H new ATOM 0 HA CYS A 11 1.456 -8.338 4.406 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.122 -6.825 3.143 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.100 -8.027 1.869 1.00 0.41 H new ATOM 142 N ASN A 12 0.353 -10.060 2.980 1.00 0.46 N ATOM 143 CA ASN A 12 -0.301 -11.224 2.380 1.00 0.53 C ATOM 144 C ASN A 12 -0.581 -10.980 0.909 1.00 0.47 C ATOM 145 O ASN A 12 -0.573 -11.903 0.098 1.00 0.57 O ATOM 146 CB ASN A 12 -1.639 -11.519 3.068 1.00 0.69 C ATOM 147 CG ASN A 12 -1.554 -11.528 4.577 1.00 0.90 C ATOM 148 OD1 ASN A 12 -1.285 -12.558 5.196 1.00 1.66 O ATOM 149 ND2 ASN A 12 -1.805 -10.377 5.175 1.00 1.03 N ATOM 0 H ASN A 12 -0.292 -9.363 3.353 1.00 0.46 H new ATOM 0 HA ASN A 12 0.375 -12.070 2.503 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -2.370 -10.772 2.758 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -2.008 -12.487 2.727 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -1.781 -10.315 6.193 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -2.023 -9.550 4.619 1.00 1.03 H new ATOM 156 N THR A 13 -0.830 -9.729 0.577 1.00 0.38 N ATOM 157 CA THR A 13 -1.244 -9.365 -0.763 1.00 0.37 C ATOM 158 C THR A 13 -0.041 -9.048 -1.638 1.00 0.35 C ATOM 159 O THR A 13 -0.060 -9.268 -2.848 1.00 0.44 O ATOM 160 CB THR A 13 -2.182 -8.149 -0.709 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.500 -7.049 -0.086 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.442 -8.485 0.079 1.00 0.52 C ATOM 0 H THR A 13 -0.752 -8.943 1.222 1.00 0.38 H new ATOM 0 HA THR A 13 -1.772 -10.213 -1.199 1.00 0.37 H new ATOM 0 HB THR A 13 -2.468 -7.876 -1.725 1.00 0.41 H new ATOM 0 HG1 THR A 13 -2.084 -6.262 -0.082 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.096 -7.614 0.108 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.962 -9.313 -0.402 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.170 -8.769 1.096 1.00 0.52 H new ATOM 170 N GLY A 14 1.008 -8.540 -1.008 1.00 0.29 N ATOM 171 CA GLY A 14 2.208 -8.184 -1.730 1.00 0.31 C ATOM 172 C GLY A 14 2.232 -6.718 -2.096 1.00 0.30 C ATOM 173 O GLY A 14 3.166 -6.245 -2.744 1.00 0.43 O ATOM 0 H GLY A 14 1.047 -8.368 -0.003 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.081 -8.421 -1.122 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.278 -8.786 -2.636 1.00 0.31 H new ATOM 177 N LYS A 15 1.206 -5.991 -1.674 1.00 0.24 N ATOM 178 CA LYS A 15 1.122 -4.571 -1.969 1.00 0.25 C ATOM 179 C LYS A 15 1.761 -3.762 -0.851 1.00 0.24 C ATOM 180 O LYS A 15 1.092 -3.350 0.097 1.00 0.25 O ATOM 181 CB LYS A 15 -0.336 -4.141 -2.158 1.00 0.31 C ATOM 182 CG LYS A 15 -1.056 -4.897 -3.261 1.00 0.41 C ATOM 183 CD LYS A 15 -2.444 -4.334 -3.515 1.00 0.57 C ATOM 184 CE LYS A 15 -3.127 -5.065 -4.655 1.00 0.69 C ATOM 185 NZ LYS A 15 -4.452 -4.489 -4.984 1.00 1.64 N ATOM 0 H LYS A 15 0.426 -6.360 -1.130 1.00 0.24 H new ATOM 0 HA LYS A 15 1.662 -4.383 -2.897 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -0.873 -4.285 -1.220 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.365 -3.075 -2.381 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.470 -4.847 -4.179 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -1.134 -5.950 -2.989 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.046 -4.420 -2.611 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.372 -3.272 -3.750 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -2.490 -5.030 -5.539 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.247 -6.115 -4.389 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -4.600 -4.523 -6.013 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -5.197 -5.038 -4.509 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -4.491 -3.501 -4.661 1.00 1.64 H new ATOM 199 N LEU A 16 3.060 -3.552 -0.962 1.00 0.26 N ATOM 200 CA LEU A 16 3.784 -2.737 -0.013 1.00 0.30 C ATOM 201 C LEU A 16 3.950 -1.331 -0.562 1.00 0.33 C ATOM 202 O LEU A 16 4.810 -1.085 -1.403 1.00 0.55 O ATOM 203 CB LEU A 16 5.156 -3.347 0.292 1.00 0.35 C ATOM 204 CG LEU A 16 5.140 -4.567 1.213 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.480 -5.745 0.535 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.547 -4.925 1.659 1.00 0.43 C ATOM 0 H LEU A 16 3.637 -3.940 -1.708 1.00 0.26 H new ATOM 0 HA LEU A 16 3.213 -2.696 0.915 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.627 -3.630 -0.650 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.784 -2.579 0.744 1.00 0.35 H new ATOM 0 HG LEU A 16 4.556 -4.313 2.098 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.481 -6.601 1.210 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.453 -5.488 0.277 1.00 0.29 H new ATOM 0 HD13 LEU A 16 5.030 -5.998 -0.372 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.511 -5.796 2.313 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.159 -5.152 0.786 1.00 0.43 H new ATOM 0 HD23 LEU A 16 6.983 -4.084 2.198 1.00 0.43 H new ATOM 218 N ALA A 17 3.117 -0.419 -0.106 1.00 0.27 N ATOM 219 CA ALA A 17 3.184 0.954 -0.569 1.00 0.27 C ATOM 220 C ALA A 17 3.633 1.869 0.552 1.00 0.24 C ATOM 221 O ALA A 17 3.334 1.632 1.726 1.00 0.28 O ATOM 222 CB ALA A 17 1.837 1.410 -1.108 1.00 0.29 C ATOM 0 H ALA A 17 2.387 -0.601 0.583 1.00 0.27 H new ATOM 0 HA ALA A 17 3.913 1.003 -1.378 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.912 2.442 -1.449 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.544 0.773 -1.942 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.088 1.342 -0.319 1.00 0.29 H new ATOM 228 N CYS A 18 4.384 2.892 0.192 1.00 0.26 N ATOM 229 CA CYS A 18 4.749 3.927 1.139 1.00 0.26 C ATOM 230 C CYS A 18 3.597 4.910 1.292 1.00 0.24 C ATOM 231 O CYS A 18 3.302 5.689 0.385 1.00 0.32 O ATOM 232 CB CYS A 18 6.020 4.636 0.683 1.00 0.36 C ATOM 233 SG CYS A 18 7.499 3.575 0.740 1.00 0.74 S ATOM 0 H CYS A 18 4.753 3.028 -0.749 1.00 0.26 H new ATOM 0 HA CYS A 18 4.949 3.475 2.110 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.880 4.997 -0.336 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.185 5.511 1.312 1.00 0.36 H new ATOM 238 N CYS A 19 2.939 4.855 2.439 1.00 0.21 N ATOM 239 CA CYS A 19 1.724 5.621 2.650 1.00 0.21 C ATOM 240 C CYS A 19 1.813 6.465 3.913 1.00 0.23 C ATOM 241 O CYS A 19 2.548 6.137 4.847 1.00 0.30 O ATOM 242 CB CYS A 19 0.527 4.675 2.735 1.00 0.23 C ATOM 243 SG CYS A 19 0.321 3.599 1.278 1.00 0.50 S ATOM 0 H CYS A 19 3.227 4.288 3.237 1.00 0.21 H new ATOM 0 HA CYS A 19 1.596 6.297 1.805 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.634 4.050 3.622 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.380 5.265 2.868 1.00 0.23 H new ATOM 248 N ASP A 20 1.062 7.557 3.923 1.00 0.23 N ATOM 249 CA ASP A 20 0.995 8.439 5.075 1.00 0.28 C ATOM 250 C ASP A 20 -0.200 8.083 5.924 1.00 0.28 C ATOM 251 O ASP A 20 -1.340 8.299 5.525 1.00 0.34 O ATOM 252 CB ASP A 20 0.880 9.902 4.651 1.00 0.37 C ATOM 253 CG ASP A 20 2.152 10.439 4.038 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.305 10.347 2.806 1.00 1.65 O ATOM 255 OD2 ASP A 20 3.001 10.962 4.787 1.00 1.33 O ATOM 0 H ASP A 20 0.485 7.854 3.136 1.00 0.23 H new ATOM 0 HA ASP A 20 1.916 8.311 5.644 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.066 10.004 3.933 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.618 10.507 5.519 1.00 0.37 H new ATOM 260 N THR A 21 0.061 7.563 7.100 1.00 0.31 N ATOM 261 CA THR A 21 -0.998 7.145 7.998 1.00 0.36 C ATOM 262 C THR A 21 -1.661 8.355 8.651 1.00 0.42 C ATOM 263 O THR A 21 -2.728 8.250 9.257 1.00 0.52 O ATOM 264 CB THR A 21 -0.445 6.208 9.082 1.00 0.41 C ATOM 265 OG1 THR A 21 0.623 6.857 9.785 1.00 0.41 O ATOM 266 CG2 THR A 21 0.073 4.918 8.466 1.00 0.43 C ATOM 0 H THR A 21 1.003 7.417 7.462 1.00 0.31 H new ATOM 0 HA THR A 21 -1.745 6.609 7.412 1.00 0.36 H new ATOM 0 HB THR A 21 -1.253 5.969 9.773 1.00 0.41 H new ATOM 0 HG1 THR A 21 0.972 6.257 10.477 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.460 4.269 9.252 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.740 4.412 7.945 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.870 5.147 7.759 1.00 0.43 H new ATOM 274 N ASN A 22 -1.040 9.515 8.485 1.00 0.43 N ATOM 275 CA ASN A 22 -1.530 10.740 9.090 1.00 0.56 C ATOM 276 C ASN A 22 -2.415 11.467 8.099 1.00 0.50 C ATOM 277 O ASN A 22 -3.087 12.444 8.431 1.00 0.63 O ATOM 278 CB ASN A 22 -0.362 11.633 9.506 1.00 0.70 C ATOM 279 CG ASN A 22 0.603 10.932 10.443 1.00 1.35 C ATOM 280 OD1 ASN A 22 1.576 10.319 10.006 1.00 1.87 O ATOM 281 ND2 ASN A 22 0.337 11.010 11.737 1.00 2.20 N ATOM 0 H ASN A 22 -0.191 9.630 7.932 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.107 10.494 9.981 1.00 0.56 H new ATOM 0 HB2 ASN A 22 0.175 11.961 8.616 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -0.749 12.528 9.992 1.00 0.70 H new ATOM 0 HD21 ASN A 22 0.949 10.552 12.412 1.00 2.20 H new ATOM 0 HD22 ASN A 22 -0.480 11.528 12.059 1.00 2.20 H new ATOM 288 N LYS A 23 -2.411 10.968 6.877 1.00 0.40 N ATOM 289 CA LYS A 23 -3.200 11.542 5.811 1.00 0.39 C ATOM 290 C LYS A 23 -4.183 10.534 5.274 1.00 0.32 C ATOM 291 O LYS A 23 -3.819 9.440 4.857 1.00 0.39 O ATOM 292 CB LYS A 23 -2.306 12.052 4.701 1.00 0.47 C ATOM 293 CG LYS A 23 -1.743 13.432 4.978 1.00 0.95 C ATOM 294 CD LYS A 23 -1.099 14.023 3.747 1.00 1.53 C ATOM 295 CE LYS A 23 -0.034 13.089 3.239 1.00 1.84 C ATOM 296 NZ LYS A 23 0.484 13.483 1.903 1.00 2.60 N ATOM 0 H LYS A 23 -1.861 10.155 6.599 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.759 12.384 6.218 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.483 11.353 4.555 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.872 12.077 3.770 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -2.541 14.089 5.324 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -1.009 13.372 5.781 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -1.850 14.189 2.975 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -0.664 14.994 3.982 1.00 1.53 H new ATOM 0 HE2 LYS A 23 0.791 13.063 3.951 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -0.439 12.078 3.184 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 1.214 12.807 1.601 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 -0.295 13.482 1.214 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 0.896 14.436 1.958 1.00 2.60 H new ATOM 310 N LYS A 24 -5.426 10.934 5.277 1.00 0.49 N ATOM 311 CA LYS A 24 -6.526 10.036 4.988 1.00 0.49 C ATOM 312 C LYS A 24 -7.209 10.411 3.683 1.00 0.45 C ATOM 313 O LYS A 24 -7.185 11.567 3.264 1.00 0.48 O ATOM 314 CB LYS A 24 -7.563 10.079 6.112 1.00 0.61 C ATOM 315 CG LYS A 24 -7.055 9.660 7.491 1.00 0.91 C ATOM 316 CD LYS A 24 -6.172 10.720 8.138 1.00 1.32 C ATOM 317 CE LYS A 24 -5.923 10.431 9.612 1.00 1.88 C ATOM 318 NZ LYS A 24 -5.321 9.090 9.832 1.00 2.17 N ATOM 0 H LYS A 24 -5.711 11.892 5.479 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.112 9.031 4.903 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -7.956 11.093 6.181 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.397 9.432 5.839 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -7.906 9.456 8.141 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -6.493 8.731 7.400 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.219 10.769 7.612 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -6.643 11.697 8.035 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -5.263 11.195 10.023 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -6.865 10.497 10.157 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -5.202 8.926 10.852 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -5.946 8.360 9.435 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -4.394 9.045 9.364 1.00 2.17 H new ATOM 332 N VAL A 25 -7.825 9.427 3.058 1.00 0.46 N ATOM 333 CA VAL A 25 -8.599 9.641 1.848 1.00 0.50 C ATOM 334 C VAL A 25 -10.062 9.327 2.137 1.00 0.56 C ATOM 335 O VAL A 25 -10.365 8.464 2.963 1.00 0.57 O ATOM 336 CB VAL A 25 -8.113 8.753 0.681 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.717 9.209 -0.639 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.594 8.737 0.599 1.00 0.44 C ATOM 0 H VAL A 25 -7.804 8.457 3.373 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.473 10.681 1.548 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.451 7.735 0.877 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.359 8.567 -1.444 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.804 9.148 -0.582 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -8.422 10.239 -0.838 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.281 8.104 -0.231 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -6.227 9.751 0.440 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.184 8.344 1.529 1.00 0.44 H new ATOM 348 N GLN A 26 -10.962 10.015 1.459 1.00 0.66 N ATOM 349 CA GLN A 26 -12.382 9.880 1.715 1.00 0.78 C ATOM 350 C GLN A 26 -13.032 8.934 0.713 1.00 0.75 C ATOM 351 O GLN A 26 -14.208 9.079 0.377 1.00 0.87 O ATOM 352 CB GLN A 26 -13.042 11.252 1.647 1.00 0.97 C ATOM 353 CG GLN A 26 -12.454 12.258 2.625 1.00 1.71 C ATOM 354 CD GLN A 26 -12.481 11.773 4.064 1.00 2.23 C ATOM 355 OE1 GLN A 26 -13.365 11.019 4.468 1.00 2.62 O ATOM 356 NE2 GLN A 26 -11.506 12.202 4.847 1.00 2.83 N ATOM 0 H GLN A 26 -10.730 10.679 0.720 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.518 9.458 2.711 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -12.945 11.643 0.634 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -14.108 11.144 1.847 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -11.425 12.475 2.340 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -13.008 13.194 2.552 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -10.791 12.827 4.475 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -11.469 11.908 5.823 1.00 2.83 H new ATOM 365 N LYS A 27 -12.262 7.971 0.229 1.00 0.96 N ATOM 366 CA LYS A 27 -12.752 7.041 -0.775 1.00 1.06 C ATOM 367 C LYS A 27 -12.457 5.604 -0.370 1.00 0.94 C ATOM 368 O LYS A 27 -11.301 5.221 -0.216 1.00 1.56 O ATOM 369 CB LYS A 27 -12.108 7.342 -2.130 1.00 1.81 C ATOM 370 CG LYS A 27 -12.379 8.752 -2.628 1.00 2.36 C ATOM 371 CD LYS A 27 -13.614 8.824 -3.518 1.00 2.79 C ATOM 372 CE LYS A 27 -14.851 8.236 -2.861 1.00 3.33 C ATOM 373 NZ LYS A 27 -16.075 8.488 -3.666 1.00 4.07 N ATOM 0 H LYS A 27 -11.296 7.814 0.516 1.00 0.96 H new ATOM 0 HA LYS A 27 -13.832 7.163 -0.856 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -11.031 7.193 -2.053 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -12.477 6.628 -2.866 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -12.510 9.417 -1.775 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -11.513 9.112 -3.183 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -13.807 9.864 -3.779 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -13.416 8.293 -4.449 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -14.717 7.162 -2.729 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -14.974 8.666 -1.867 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -16.898 8.072 -3.186 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -16.217 9.513 -3.771 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -15.968 8.056 -4.606 1.00 4.07 H new ATOM 387 N SER A 28 -13.503 4.816 -0.201 1.00 0.83 N ATOM 388 CA SER A 28 -13.355 3.409 0.132 1.00 1.35 C ATOM 389 C SER A 28 -13.814 2.544 -1.035 1.00 1.17 C ATOM 390 O SER A 28 -14.676 1.676 -0.887 1.00 1.46 O ATOM 391 CB SER A 28 -14.157 3.080 1.391 1.00 2.09 C ATOM 392 OG SER A 28 -13.780 3.927 2.464 1.00 2.46 O ATOM 0 H SER A 28 -14.470 5.128 -0.289 1.00 0.83 H new ATOM 0 HA SER A 28 -12.303 3.199 0.326 1.00 1.35 H new ATOM 0 HB2 SER A 28 -15.222 3.194 1.189 1.00 2.09 H new ATOM 0 HB3 SER A 28 -13.995 2.039 1.669 1.00 2.09 H new ATOM 0 HG SER A 28 -14.306 3.701 3.259 1.00 2.46 H new ATOM 398 N THR A 29 -13.245 2.806 -2.199 1.00 1.02 N ATOM 399 CA THR A 29 -13.607 2.090 -3.404 1.00 1.07 C ATOM 400 C THR A 29 -12.603 0.982 -3.725 1.00 1.17 C ATOM 401 O THR A 29 -12.715 -0.131 -3.208 1.00 2.00 O ATOM 402 CB THR A 29 -13.734 3.063 -4.586 1.00 1.24 C ATOM 403 OG1 THR A 29 -12.815 4.151 -4.412 1.00 1.64 O ATOM 404 CG2 THR A 29 -15.151 3.601 -4.696 1.00 1.64 C ATOM 0 H THR A 29 -12.525 3.516 -2.332 1.00 1.02 H new ATOM 0 HA THR A 29 -14.574 1.617 -3.232 1.00 1.07 H new ATOM 0 HB THR A 29 -13.499 2.525 -5.505 1.00 1.24 H new ATOM 0 HG1 THR A 29 -12.332 4.308 -5.250 1.00 1.64 H new ATOM 0 HG21 THR A 29 -15.215 4.287 -5.540 1.00 1.64 H new ATOM 0 HG22 THR A 29 -15.844 2.773 -4.848 1.00 1.64 H new ATOM 0 HG23 THR A 29 -15.412 4.129 -3.779 1.00 1.64 H new ATOM 412 N GLY A 30 -11.620 1.290 -4.558 1.00 0.96 N ATOM 413 CA GLY A 30 -10.637 0.296 -4.949 1.00 1.02 C ATOM 414 C GLY A 30 -11.145 -0.590 -6.070 1.00 1.05 C ATOM 415 O GLY A 30 -12.357 -0.754 -6.240 1.00 1.39 O ATOM 0 H GLY A 30 -11.484 2.212 -4.972 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.722 0.796 -5.267 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -10.381 -0.320 -4.087 1.00 1.02 H new ATOM 419 N GLU A 31 -10.232 -1.164 -6.840 1.00 1.00 N ATOM 420 CA GLU A 31 -10.617 -2.020 -7.953 1.00 1.18 C ATOM 421 C GLU A 31 -10.559 -3.488 -7.555 1.00 0.94 C ATOM 422 O GLU A 31 -11.522 -4.233 -7.751 1.00 1.04 O ATOM 423 CB GLU A 31 -9.719 -1.784 -9.167 1.00 1.63 C ATOM 424 CG GLU A 31 -9.744 -0.356 -9.685 1.00 2.14 C ATOM 425 CD GLU A 31 -8.928 -0.192 -10.947 1.00 2.60 C ATOM 426 OE1 GLU A 31 -7.715 0.085 -10.848 1.00 2.90 O ATOM 427 OE2 GLU A 31 -9.490 -0.355 -12.049 1.00 3.06 O ATOM 0 H GLU A 31 -9.226 -1.054 -6.716 1.00 1.00 H new ATOM 0 HA GLU A 31 -11.642 -1.764 -8.220 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -8.694 -2.047 -8.905 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -10.025 -2.456 -9.969 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -10.775 -0.060 -9.880 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -9.360 0.314 -8.916 1.00 2.14 H new ATOM 434 N GLU A 32 -9.442 -3.906 -6.973 1.00 0.85 N ATOM 435 CA GLU A 32 -9.257 -5.305 -6.634 1.00 1.01 C ATOM 436 C GLU A 32 -10.037 -5.656 -5.372 1.00 1.08 C ATOM 437 O GLU A 32 -10.420 -6.808 -5.173 1.00 1.36 O ATOM 438 CB GLU A 32 -7.769 -5.635 -6.504 1.00 1.26 C ATOM 439 CG GLU A 32 -7.021 -5.463 -7.820 1.00 1.66 C ATOM 440 CD GLU A 32 -5.557 -5.840 -7.731 1.00 1.90 C ATOM 441 OE1 GLU A 32 -5.238 -7.037 -7.861 1.00 2.09 O ATOM 442 OE2 GLU A 32 -4.717 -4.938 -7.543 1.00 2.44 O ATOM 0 H GLU A 32 -8.659 -3.300 -6.729 1.00 0.85 H new ATOM 0 HA GLU A 32 -9.654 -5.921 -7.441 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -7.321 -4.991 -5.747 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -7.656 -6.662 -6.156 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -7.500 -6.074 -8.585 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -7.103 -4.425 -8.143 1.00 1.66 H new ATOM 449 N SER A 33 -10.278 -4.654 -4.528 1.00 1.06 N ATOM 450 CA SER A 33 -11.232 -4.792 -3.426 1.00 1.37 C ATOM 451 C SER A 33 -12.586 -5.304 -3.925 1.00 1.43 C ATOM 452 O SER A 33 -13.270 -6.045 -3.228 1.00 1.79 O ATOM 453 CB SER A 33 -11.440 -3.451 -2.718 1.00 1.72 C ATOM 454 OG SER A 33 -10.233 -2.955 -2.182 1.00 2.36 O ATOM 0 H SER A 33 -9.828 -3.740 -4.585 1.00 1.06 H new ATOM 0 HA SER A 33 -10.813 -5.515 -2.726 1.00 1.37 H new ATOM 0 HB2 SER A 33 -11.851 -2.727 -3.422 1.00 1.72 H new ATOM 0 HB3 SER A 33 -12.172 -3.570 -1.919 1.00 1.72 H new ATOM 0 HG SER A 33 -10.400 -2.097 -1.738 1.00 2.36 H new ATOM 460 N GLY A 34 -12.968 -4.904 -5.135 1.00 1.39 N ATOM 461 CA GLY A 34 -14.250 -5.312 -5.681 1.00 1.87 C ATOM 462 C GLY A 34 -14.222 -6.721 -6.237 1.00 2.00 C ATOM 463 O GLY A 34 -15.236 -7.420 -6.243 1.00 2.54 O ATOM 0 H GLY A 34 -12.413 -4.305 -5.746 1.00 1.39 H new ATOM 0 HA2 GLY A 34 -15.010 -5.247 -4.902 1.00 1.87 H new ATOM 0 HA3 GLY A 34 -14.542 -4.619 -6.470 1.00 1.87 H new ATOM 467 N LEU A 35 -13.052 -7.142 -6.700 1.00 1.81 N ATOM 468 CA LEU A 35 -12.889 -8.469 -7.278 1.00 2.31 C ATOM 469 C LEU A 35 -12.870 -9.531 -6.189 1.00 2.77 C ATOM 470 O LEU A 35 -13.239 -10.683 -6.418 1.00 3.49 O ATOM 471 CB LEU A 35 -11.597 -8.537 -8.097 1.00 2.32 C ATOM 472 CG LEU A 35 -11.545 -7.609 -9.311 1.00 2.47 C ATOM 473 CD1 LEU A 35 -10.188 -7.695 -9.989 1.00 2.79 C ATOM 474 CD2 LEU A 35 -12.651 -7.958 -10.293 1.00 2.93 C ATOM 0 H LEU A 35 -12.200 -6.582 -6.686 1.00 1.81 H new ATOM 0 HA LEU A 35 -13.737 -8.661 -7.936 1.00 2.31 H new ATOM 0 HB2 LEU A 35 -10.758 -8.300 -7.443 1.00 2.32 H new ATOM 0 HB3 LEU A 35 -11.455 -9.563 -8.438 1.00 2.32 H new ATOM 0 HG LEU A 35 -11.696 -6.585 -8.969 1.00 2.47 H new ATOM 0 HD11 LEU A 35 -10.169 -7.028 -10.851 1.00 2.79 H new ATOM 0 HD12 LEU A 35 -9.410 -7.400 -9.285 1.00 2.79 H new ATOM 0 HD13 LEU A 35 -10.010 -8.719 -10.318 1.00 2.79 H new ATOM 0 HD21 LEU A 35 -12.600 -7.288 -11.151 1.00 2.93 H new ATOM 0 HD22 LEU A 35 -12.528 -8.988 -10.628 1.00 2.93 H new ATOM 0 HD23 LEU A 35 -13.619 -7.849 -9.804 1.00 2.93 H new ATOM 486 N LEU A 36 -12.439 -9.133 -5.006 1.00 2.50 N ATOM 487 CA LEU A 36 -12.342 -10.039 -3.878 1.00 3.01 C ATOM 488 C LEU A 36 -13.399 -9.673 -2.835 1.00 2.81 C ATOM 489 O LEU A 36 -14.028 -8.620 -2.926 1.00 2.34 O ATOM 490 CB LEU A 36 -10.934 -9.947 -3.282 1.00 3.19 C ATOM 491 CG LEU A 36 -10.477 -11.157 -2.466 1.00 4.01 C ATOM 492 CD1 LEU A 36 -10.412 -12.399 -3.340 1.00 4.60 C ATOM 493 CD2 LEU A 36 -9.123 -10.886 -1.840 1.00 4.79 C ATOM 0 H LEU A 36 -12.148 -8.177 -4.801 1.00 2.50 H new ATOM 0 HA LEU A 36 -12.521 -11.064 -4.203 1.00 3.01 H new ATOM 0 HB2 LEU A 36 -10.225 -9.792 -4.095 1.00 3.19 H new ATOM 0 HB3 LEU A 36 -10.886 -9.064 -2.645 1.00 3.19 H new ATOM 0 HG LEU A 36 -11.204 -11.331 -1.672 1.00 4.01 H new ATOM 0 HD11 LEU A 36 -10.085 -13.249 -2.741 1.00 4.60 H new ATOM 0 HD12 LEU A 36 -11.399 -12.605 -3.753 1.00 4.60 H new ATOM 0 HD13 LEU A 36 -9.705 -12.235 -4.153 1.00 4.60 H new ATOM 0 HD21 LEU A 36 -8.809 -11.755 -1.262 1.00 4.79 H new ATOM 0 HD22 LEU A 36 -8.392 -10.689 -2.624 1.00 4.79 H new ATOM 0 HD23 LEU A 36 -9.193 -10.019 -1.183 1.00 4.79 H new ATOM 505 N HIS A 37 -13.597 -10.538 -1.846 1.00 3.51 N ATOM 506 CA HIS A 37 -14.568 -10.276 -0.782 1.00 3.61 C ATOM 507 C HIS A 37 -13.978 -9.351 0.276 1.00 3.25 C ATOM 508 O HIS A 37 -14.573 -9.132 1.331 1.00 2.95 O ATOM 509 CB HIS A 37 -15.053 -11.575 -0.129 1.00 4.74 C ATOM 510 CG HIS A 37 -15.927 -12.406 -1.015 1.00 5.33 C ATOM 511 ND1 HIS A 37 -15.744 -13.759 -1.203 1.00 5.88 N ATOM 512 CD2 HIS A 37 -17.009 -12.071 -1.754 1.00 5.85 C ATOM 513 CE1 HIS A 37 -16.673 -14.217 -2.021 1.00 6.59 C ATOM 514 NE2 HIS A 37 -17.455 -13.213 -2.370 1.00 6.59 N ATOM 0 H HIS A 37 -13.101 -11.425 -1.756 1.00 3.51 H new ATOM 0 HA HIS A 37 -15.426 -9.785 -1.242 1.00 3.61 H new ATOM 0 HB2 HIS A 37 -14.187 -12.166 0.169 1.00 4.74 H new ATOM 0 HB3 HIS A 37 -15.601 -11.331 0.781 1.00 4.74 H new ATOM 0 HD2 HIS A 37 -17.442 -11.086 -1.843 1.00 5.85 H new ATOM 0 HE1 HIS A 37 -16.776 -15.241 -2.349 1.00 6.59 H new ATOM 0 HE2 HIS A 37 -18.259 -13.276 -2.995 1.00 6.59 H new ATOM 523 N THR A 38 -12.791 -8.838 0.004 1.00 3.58 N ATOM 524 CA THR A 38 -12.129 -7.912 0.903 1.00 3.68 C ATOM 525 C THR A 38 -12.805 -6.544 0.882 1.00 3.15 C ATOM 526 O THR A 38 -12.853 -5.849 1.891 1.00 3.20 O ATOM 527 CB THR A 38 -10.649 -7.770 0.526 1.00 4.74 C ATOM 528 OG1 THR A 38 -10.528 -7.645 -0.898 1.00 5.22 O ATOM 529 CG2 THR A 38 -9.852 -8.971 1.008 1.00 5.42 C ATOM 0 H THR A 38 -12.262 -9.051 -0.842 1.00 3.58 H new ATOM 0 HA THR A 38 -12.204 -8.315 1.913 1.00 3.68 H new ATOM 0 HB THR A 38 -10.250 -6.878 1.008 1.00 4.74 H new ATOM 0 HG1 THR A 38 -9.583 -7.553 -1.139 1.00 5.22 H new ATOM 0 HG21 THR A 38 -8.805 -8.849 0.730 1.00 5.42 H new ATOM 0 HG22 THR A 38 -9.932 -9.050 2.092 1.00 5.42 H new ATOM 0 HG23 THR A 38 -10.246 -9.877 0.548 1.00 5.42 H new ATOM 537 N GLY A 39 -13.360 -6.182 -0.267 1.00 2.92 N ATOM 538 CA GLY A 39 -14.041 -4.907 -0.397 1.00 3.07 C ATOM 539 C GLY A 39 -15.455 -4.951 0.147 1.00 2.65 C ATOM 540 O GLY A 39 -16.257 -4.047 -0.098 1.00 3.27 O ATOM 0 H GLY A 39 -13.351 -6.750 -1.114 1.00 2.92 H new ATOM 0 HA2 GLY A 39 -13.475 -4.140 0.131 1.00 3.07 H new ATOM 0 HA3 GLY A 39 -14.067 -4.617 -1.447 1.00 3.07 H new ATOM 544 N ASP A 40 -15.760 -6.011 0.881 1.00 2.12 N ATOM 545 CA ASP A 40 -17.078 -6.190 1.476 1.00 2.43 C ATOM 546 C ASP A 40 -17.197 -5.414 2.778 1.00 2.44 C ATOM 547 O ASP A 40 -18.297 -5.142 3.255 1.00 3.10 O ATOM 548 CB ASP A 40 -17.349 -7.669 1.729 1.00 2.68 C ATOM 549 CG ASP A 40 -17.899 -8.377 0.508 1.00 3.59 C ATOM 550 OD1 ASP A 40 -19.085 -8.769 0.529 1.00 4.07 O ATOM 551 OD2 ASP A 40 -17.159 -8.538 -0.485 1.00 4.15 O ATOM 0 H ASP A 40 -15.106 -6.768 1.081 1.00 2.12 H new ATOM 0 HA ASP A 40 -17.819 -5.805 0.775 1.00 2.43 H new ATOM 0 HB2 ASP A 40 -16.425 -8.156 2.041 1.00 2.68 H new ATOM 0 HB3 ASP A 40 -18.056 -7.769 2.552 1.00 2.68 H new ATOM 556 N VAL A 41 -16.058 -5.078 3.354 1.00 1.88 N ATOM 557 CA VAL A 41 -16.021 -4.263 4.562 1.00 1.83 C ATOM 558 C VAL A 41 -15.972 -2.780 4.220 1.00 1.57 C ATOM 559 O VAL A 41 -15.341 -2.375 3.245 1.00 1.47 O ATOM 560 CB VAL A 41 -14.814 -4.609 5.460 1.00 1.92 C ATOM 561 CG1 VAL A 41 -15.067 -5.900 6.223 1.00 2.58 C ATOM 562 CG2 VAL A 41 -13.542 -4.726 4.640 1.00 1.85 C ATOM 0 H VAL A 41 -15.141 -5.356 3.006 1.00 1.88 H new ATOM 0 HA VAL A 41 -16.937 -4.484 5.110 1.00 1.83 H new ATOM 0 HB VAL A 41 -14.687 -3.798 6.177 1.00 1.92 H new ATOM 0 HG11 VAL A 41 -14.205 -6.127 6.850 1.00 2.58 H new ATOM 0 HG12 VAL A 41 -15.951 -5.785 6.850 1.00 2.58 H new ATOM 0 HG13 VAL A 41 -15.226 -6.715 5.517 1.00 2.58 H new ATOM 0 HG21 VAL A 41 -12.707 -4.970 5.297 1.00 1.85 H new ATOM 0 HG22 VAL A 41 -13.660 -5.513 3.895 1.00 1.85 H new ATOM 0 HG23 VAL A 41 -13.344 -3.779 4.138 1.00 1.85 H new ATOM 572 N LEU A 42 -16.654 -1.975 5.017 1.00 1.77 N ATOM 573 CA LEU A 42 -16.651 -0.541 4.846 1.00 1.81 C ATOM 574 C LEU A 42 -15.598 0.103 5.739 1.00 1.47 C ATOM 575 O LEU A 42 -15.350 1.305 5.658 1.00 1.56 O ATOM 576 CB LEU A 42 -18.029 0.012 5.179 1.00 2.42 C ATOM 577 CG LEU A 42 -19.121 -0.275 4.146 1.00 2.97 C ATOM 578 CD1 LEU A 42 -20.478 0.169 4.668 1.00 3.50 C ATOM 579 CD2 LEU A 42 -18.809 0.420 2.828 1.00 3.37 C ATOM 0 H LEU A 42 -17.223 -2.301 5.798 1.00 1.77 H new ATOM 0 HA LEU A 42 -16.408 -0.309 3.809 1.00 1.81 H new ATOM 0 HB2 LEU A 42 -18.344 -0.398 6.138 1.00 2.42 H new ATOM 0 HB3 LEU A 42 -17.947 1.092 5.305 1.00 2.42 H new ATOM 0 HG LEU A 42 -19.151 -1.350 3.971 1.00 2.97 H new ATOM 0 HD11 LEU A 42 -21.242 -0.043 3.920 1.00 3.50 H new ATOM 0 HD12 LEU A 42 -20.709 -0.371 5.586 1.00 3.50 H new ATOM 0 HD13 LEU A 42 -20.457 1.240 4.872 1.00 3.50 H new ATOM 0 HD21 LEU A 42 -19.597 0.203 2.107 1.00 3.37 H new ATOM 0 HD22 LEU A 42 -18.750 1.496 2.989 1.00 3.37 H new ATOM 0 HD23 LEU A 42 -17.856 0.058 2.443 1.00 3.37 H new ATOM 591 N ASP A 43 -14.975 -0.708 6.587 1.00 1.24 N ATOM 592 CA ASP A 43 -13.973 -0.206 7.521 1.00 1.03 C ATOM 593 C ASP A 43 -12.607 -0.083 6.859 1.00 0.78 C ATOM 594 O ASP A 43 -11.656 0.376 7.494 1.00 0.77 O ATOM 595 CB ASP A 43 -13.869 -1.098 8.766 1.00 1.22 C ATOM 596 CG ASP A 43 -13.396 -2.506 8.456 1.00 1.63 C ATOM 597 OD1 ASP A 43 -14.253 -3.401 8.316 1.00 2.29 O ATOM 598 OD2 ASP A 43 -12.171 -2.727 8.360 1.00 2.03 O ATOM 0 H ASP A 43 -15.145 -1.712 6.647 1.00 1.24 H new ATOM 0 HA ASP A 43 -14.300 0.787 7.831 1.00 1.03 H new ATOM 0 HB2 ASP A 43 -13.182 -0.639 9.477 1.00 1.22 H new ATOM 0 HB3 ASP A 43 -14.844 -1.148 9.251 1.00 1.22 H new ATOM 603 N GLN A 44 -12.507 -0.512 5.595 1.00 0.64 N ATOM 604 CA GLN A 44 -11.281 -0.337 4.821 1.00 0.45 C ATOM 605 C GLN A 44 -10.746 1.077 4.986 1.00 0.42 C ATOM 606 O GLN A 44 -11.479 2.056 4.835 1.00 0.57 O ATOM 607 CB GLN A 44 -11.503 -0.593 3.334 1.00 0.42 C ATOM 608 CG GLN A 44 -12.246 -1.878 3.011 1.00 0.57 C ATOM 609 CD GLN A 44 -12.354 -2.123 1.515 1.00 0.64 C ATOM 610 OE1 GLN A 44 -13.285 -1.651 0.863 1.00 1.40 O ATOM 611 NE2 GLN A 44 -11.416 -2.881 0.965 1.00 1.18 N ATOM 0 H GLN A 44 -13.260 -0.981 5.091 1.00 0.64 H new ATOM 0 HA GLN A 44 -10.564 -1.064 5.202 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.058 0.246 2.915 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.534 -0.615 2.835 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -11.733 -2.719 3.478 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.246 -1.835 3.443 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -10.660 -3.254 1.539 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -11.450 -3.091 -0.032 1.00 1.18 H new ATOM 620 N VAL A 45 -9.470 1.176 5.275 1.00 0.33 N ATOM 621 CA VAL A 45 -8.857 2.454 5.565 1.00 0.36 C ATOM 622 C VAL A 45 -8.097 2.972 4.359 1.00 0.27 C ATOM 623 O VAL A 45 -7.204 2.313 3.834 1.00 0.33 O ATOM 624 CB VAL A 45 -7.938 2.385 6.804 1.00 0.48 C ATOM 625 CG1 VAL A 45 -6.794 1.429 6.595 1.00 1.19 C ATOM 626 CG2 VAL A 45 -7.439 3.767 7.195 1.00 1.37 C ATOM 0 H VAL A 45 -8.831 0.382 5.316 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.660 3.154 5.796 1.00 0.36 H new ATOM 0 HB VAL A 45 -8.534 2.000 7.631 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.170 1.408 7.488 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -7.185 0.430 6.402 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -6.198 1.756 5.743 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -6.794 3.687 8.070 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -6.875 4.198 6.368 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -8.289 4.408 7.428 1.00 1.37 H new ATOM 636 N ALA A 46 -8.494 4.137 3.903 1.00 0.24 N ATOM 637 CA ALA A 46 -7.853 4.767 2.768 1.00 0.21 C ATOM 638 C ALA A 46 -6.932 5.886 3.224 1.00 0.20 C ATOM 639 O ALA A 46 -7.380 6.862 3.829 1.00 0.30 O ATOM 640 CB ALA A 46 -8.900 5.294 1.805 1.00 0.29 C ATOM 0 H ALA A 46 -9.264 4.673 4.303 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.248 4.022 2.252 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.408 5.766 0.955 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.519 4.469 1.453 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.527 6.026 2.314 1.00 0.29 H new ATOM 646 N ILE A 47 -5.648 5.731 2.956 1.00 0.21 N ATOM 647 CA ILE A 47 -4.672 6.766 3.258 1.00 0.21 C ATOM 648 C ILE A 47 -3.905 7.138 2.001 1.00 0.20 C ATOM 649 O ILE A 47 -3.894 6.381 1.026 1.00 0.21 O ATOM 650 CB ILE A 47 -3.675 6.338 4.362 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.056 4.973 4.047 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.357 6.321 5.723 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.040 4.522 5.076 1.00 0.23 C ATOM 0 H ILE A 47 -5.254 4.894 2.527 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.226 7.627 3.631 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.869 7.071 4.391 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.850 4.229 3.980 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.577 5.016 3.069 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.640 6.018 6.486 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.733 7.318 5.954 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.188 5.615 5.705 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.641 3.548 4.791 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.227 5.246 5.126 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.520 4.446 6.052 1.00 0.23 H new ATOM 665 N GLN A 48 -3.297 8.316 2.013 1.00 0.24 N ATOM 666 CA GLN A 48 -2.528 8.784 0.866 1.00 0.25 C ATOM 667 C GLN A 48 -1.236 8.019 0.743 1.00 0.22 C ATOM 668 O GLN A 48 -0.486 7.865 1.705 1.00 0.36 O ATOM 669 CB GLN A 48 -2.232 10.279 0.950 1.00 0.36 C ATOM 670 CG GLN A 48 -3.101 11.137 0.044 1.00 0.47 C ATOM 671 CD GLN A 48 -4.485 11.386 0.598 1.00 1.43 C ATOM 672 OE1 GLN A 48 -4.685 11.407 1.810 1.00 2.38 O ATOM 673 NE2 GLN A 48 -5.444 11.601 -0.287 1.00 1.78 N ATOM 0 H GLN A 48 -3.320 8.964 2.801 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.139 8.608 -0.020 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -2.366 10.607 1.981 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.185 10.446 0.696 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.606 12.094 -0.121 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -3.189 10.652 -0.928 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -5.233 11.574 -1.285 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -6.395 11.794 0.028 1.00 1.78 H new ATOM 682 N CYS A 49 -0.991 7.561 -0.459 1.00 0.26 N ATOM 683 CA CYS A 49 0.165 6.751 -0.749 1.00 0.25 C ATOM 684 C CYS A 49 0.965 7.371 -1.880 1.00 0.28 C ATOM 685 O CYS A 49 0.404 8.048 -2.744 1.00 0.32 O ATOM 686 CB CYS A 49 -0.287 5.344 -1.115 1.00 0.25 C ATOM 687 SG CYS A 49 -1.171 4.479 0.220 1.00 1.15 S ATOM 0 H CYS A 49 -1.589 7.740 -1.266 1.00 0.26 H new ATOM 0 HA CYS A 49 0.807 6.699 0.131 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -0.935 5.398 -1.990 1.00 0.25 H new ATOM 0 HB3 CYS A 49 0.585 4.756 -1.400 1.00 0.25 H new ATOM 692 N THR A 50 2.270 7.170 -1.857 1.00 0.28 N ATOM 693 CA THR A 50 3.141 7.725 -2.878 1.00 0.36 C ATOM 694 C THR A 50 4.474 6.993 -2.893 1.00 0.38 C ATOM 695 O THR A 50 5.074 6.741 -1.846 1.00 0.45 O ATOM 696 CB THR A 50 3.359 9.244 -2.685 1.00 0.46 C ATOM 697 OG1 THR A 50 4.231 9.761 -3.699 1.00 0.60 O ATOM 698 CG2 THR A 50 3.934 9.546 -1.312 1.00 0.54 C ATOM 0 H THR A 50 2.751 6.626 -1.141 1.00 0.28 H new ATOM 0 HA THR A 50 2.649 7.585 -3.841 1.00 0.36 H new ATOM 0 HB THR A 50 2.387 9.730 -2.768 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.357 10.723 -3.563 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.076 10.621 -1.206 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.246 9.193 -0.544 1.00 0.54 H new ATOM 0 HG23 THR A 50 4.893 9.040 -1.200 1.00 0.54 H new ATOM 706 N GLN A 51 4.915 6.625 -4.082 1.00 0.39 N ATOM 707 CA GLN A 51 6.132 5.869 -4.225 1.00 0.42 C ATOM 708 C GLN A 51 7.130 6.606 -5.102 1.00 0.42 C ATOM 709 O GLN A 51 6.878 6.857 -6.287 1.00 0.58 O ATOM 710 CB GLN A 51 5.813 4.494 -4.794 1.00 0.57 C ATOM 711 CG GLN A 51 6.985 3.533 -4.732 1.00 0.66 C ATOM 712 CD GLN A 51 7.571 3.415 -3.335 1.00 1.01 C ATOM 713 OE1 GLN A 51 6.881 3.637 -2.341 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.836 3.026 -3.251 1.00 0.74 N ATOM 0 H GLN A 51 4.443 6.841 -4.960 1.00 0.39 H new ATOM 0 HA GLN A 51 6.590 5.746 -3.244 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.973 4.068 -4.246 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.495 4.602 -5.831 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.661 2.549 -5.070 1.00 0.66 H new ATOM 0 HG3 GLN A 51 7.761 3.867 -5.420 1.00 0.66 H new ATOM 0 HE21 GLN A 51 9.374 2.852 -4.100 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.271 2.900 -2.337 1.00 0.74 H new ATOM 723 N ILE A 52 8.248 6.975 -4.495 1.00 0.43 N ATOM 724 CA ILE A 52 9.370 7.567 -5.207 1.00 0.50 C ATOM 725 C ILE A 52 9.840 6.598 -6.298 1.00 0.56 C ATOM 726 O ILE A 52 9.870 5.393 -6.061 1.00 0.65 O ATOM 727 CB ILE A 52 10.517 7.876 -4.210 1.00 0.63 C ATOM 728 CG1 ILE A 52 10.014 8.826 -3.119 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.723 8.478 -4.915 1.00 0.85 C ATOM 730 CD1 ILE A 52 11.084 9.254 -2.138 1.00 0.95 C ATOM 0 H ILE A 52 8.403 6.872 -3.492 1.00 0.43 H new ATOM 0 HA ILE A 52 9.064 8.502 -5.676 1.00 0.50 H new ATOM 0 HB ILE A 52 10.834 6.937 -3.757 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.591 9.713 -3.590 1.00 0.72 H new ATOM 0 HG13 ILE A 52 9.206 8.340 -2.572 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.507 8.682 -4.185 1.00 0.85 H new ATOM 0 HG22 ILE A 52 12.096 7.777 -5.662 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.432 9.408 -5.404 1.00 0.85 H new ATOM 0 HD11 ILE A 52 10.650 9.925 -1.397 1.00 0.95 H new ATOM 0 HD12 ILE A 52 11.491 8.375 -1.638 1.00 0.95 H new ATOM 0 HD13 ILE A 52 11.882 9.770 -2.672 1.00 0.95 H new ATOM 742 N PRO A 53 10.186 7.117 -7.507 1.00 0.66 N ATOM 743 CA PRO A 53 10.528 6.309 -8.688 1.00 0.80 C ATOM 744 C PRO A 53 11.251 5.005 -8.367 1.00 0.82 C ATOM 745 O PRO A 53 12.280 4.990 -7.682 1.00 0.87 O ATOM 746 CB PRO A 53 11.433 7.249 -9.471 1.00 0.95 C ATOM 747 CG PRO A 53 10.864 8.601 -9.212 1.00 0.85 C ATOM 748 CD PRO A 53 10.251 8.556 -7.828 1.00 0.70 C ATOM 0 HA PRO A 53 9.636 5.976 -9.220 1.00 0.80 H new ATOM 0 HB2 PRO A 53 12.467 7.180 -9.133 1.00 0.95 H new ATOM 0 HB3 PRO A 53 11.429 7.012 -10.535 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.640 9.365 -9.267 1.00 0.85 H new ATOM 0 HG3 PRO A 53 10.113 8.855 -9.960 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.860 9.098 -7.105 1.00 0.70 H new ATOM 0 HD3 PRO A 53 9.261 9.012 -7.816 1.00 0.70 H new ATOM 756 N LEU A 54 10.700 3.925 -8.910 1.00 0.90 N ATOM 757 CA LEU A 54 11.097 2.565 -8.573 1.00 0.96 C ATOM 758 C LEU A 54 12.567 2.300 -8.870 1.00 0.90 C ATOM 759 O LEU A 54 13.087 2.684 -9.922 1.00 1.03 O ATOM 760 CB LEU A 54 10.237 1.570 -9.355 1.00 1.27 C ATOM 761 CG LEU A 54 8.724 1.767 -9.229 1.00 1.07 C ATOM 762 CD1 LEU A 54 7.989 0.790 -10.128 1.00 1.67 C ATOM 763 CD2 LEU A 54 8.273 1.595 -7.787 1.00 1.08 C ATOM 0 H LEU A 54 9.955 3.971 -9.606 1.00 0.90 H new ATOM 0 HA LEU A 54 10.948 2.440 -7.501 1.00 0.96 H new ATOM 0 HB2 LEU A 54 10.508 1.632 -10.409 1.00 1.27 H new ATOM 0 HB3 LEU A 54 10.484 0.562 -9.021 1.00 1.27 H new ATOM 0 HG LEU A 54 8.486 2.783 -9.543 1.00 1.07 H new ATOM 0 HD11 LEU A 54 6.914 0.942 -10.028 1.00 1.67 H new ATOM 0 HD12 LEU A 54 8.284 0.956 -11.164 1.00 1.67 H new ATOM 0 HD13 LEU A 54 8.240 -0.230 -9.838 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.195 1.740 -7.723 1.00 1.08 H new ATOM 0 HD22 LEU A 54 8.525 0.592 -7.444 1.00 1.08 H new ATOM 0 HD23 LEU A 54 8.775 2.330 -7.158 1.00 1.08 H new ATOM 775 N LEU A 55 13.222 1.643 -7.932 1.00 0.88 N ATOM 776 CA LEU A 55 14.592 1.207 -8.095 1.00 0.96 C ATOM 777 C LEU A 55 14.632 -0.312 -8.215 1.00 0.93 C ATOM 778 O LEU A 55 14.012 -1.022 -7.422 1.00 0.85 O ATOM 779 CB LEU A 55 15.430 1.664 -6.902 1.00 1.08 C ATOM 780 CG LEU A 55 15.587 3.178 -6.749 1.00 1.26 C ATOM 781 CD1 LEU A 55 16.320 3.510 -5.460 1.00 1.52 C ATOM 782 CD2 LEU A 55 16.325 3.759 -7.944 1.00 1.58 C ATOM 0 H LEU A 55 12.814 1.396 -7.030 1.00 0.88 H new ATOM 0 HA LEU A 55 15.006 1.648 -9.002 1.00 0.96 H new ATOM 0 HB2 LEU A 55 14.980 1.269 -5.991 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.422 1.220 -6.986 1.00 1.08 H new ATOM 0 HG LEU A 55 14.594 3.625 -6.705 1.00 1.26 H new ATOM 0 HD11 LEU A 55 16.423 4.591 -5.368 1.00 1.52 H new ATOM 0 HD12 LEU A 55 15.755 3.125 -4.611 1.00 1.52 H new ATOM 0 HD13 LEU A 55 17.309 3.052 -5.475 1.00 1.52 H new ATOM 0 HD21 LEU A 55 16.428 4.837 -7.819 1.00 1.58 H new ATOM 0 HD22 LEU A 55 17.314 3.306 -8.016 1.00 1.58 H new ATOM 0 HD23 LEU A 55 15.763 3.551 -8.855 1.00 1.58 H new ATOM 794 N ILE A 56 15.355 -0.806 -9.209 1.00 1.10 N ATOM 795 CA ILE A 56 15.411 -2.236 -9.469 1.00 1.16 C ATOM 796 C ILE A 56 16.154 -2.958 -8.353 1.00 1.07 C ATOM 797 O ILE A 56 17.236 -2.538 -7.935 1.00 1.14 O ATOM 798 CB ILE A 56 16.109 -2.550 -10.806 1.00 1.45 C ATOM 799 CG1 ILE A 56 15.570 -1.650 -11.923 1.00 1.68 C ATOM 800 CG2 ILE A 56 15.916 -4.016 -11.168 1.00 1.58 C ATOM 801 CD1 ILE A 56 16.278 -1.832 -13.249 1.00 2.11 C ATOM 0 H ILE A 56 15.911 -0.238 -9.848 1.00 1.10 H new ATOM 0 HA ILE A 56 14.380 -2.585 -9.519 1.00 1.16 H new ATOM 0 HB ILE A 56 17.175 -2.353 -10.693 1.00 1.45 H new ATOM 0 HG12 ILE A 56 14.507 -1.851 -12.058 1.00 1.68 H new ATOM 0 HG13 ILE A 56 15.660 -0.609 -11.613 1.00 1.68 H new ATOM 0 HG21 ILE A 56 16.414 -4.226 -12.115 1.00 1.58 H new ATOM 0 HG22 ILE A 56 16.344 -4.643 -10.386 1.00 1.58 H new ATOM 0 HG23 ILE A 56 14.851 -4.230 -11.263 1.00 1.58 H new ATOM 0 HD11 ILE A 56 15.841 -1.162 -13.990 1.00 2.11 H new ATOM 0 HD12 ILE A 56 17.337 -1.602 -13.131 1.00 2.11 H new ATOM 0 HD13 ILE A 56 16.166 -2.864 -13.583 1.00 2.11 H new ATOM 813 N GLY A 57 15.557 -4.043 -7.881 1.00 1.03 N ATOM 814 CA GLY A 57 16.152 -4.838 -6.824 1.00 1.00 C ATOM 815 C GLY A 57 16.246 -4.094 -5.506 1.00 0.86 C ATOM 816 O GLY A 57 17.093 -4.409 -4.671 1.00 0.90 O ATOM 0 H GLY A 57 14.659 -4.391 -8.216 1.00 1.03 H new ATOM 0 HA2 GLY A 57 15.563 -5.744 -6.682 1.00 1.00 H new ATOM 0 HA3 GLY A 57 17.150 -5.151 -7.130 1.00 1.00 H new ATOM 820 N ILE A 58 15.382 -3.109 -5.314 1.00 0.77 N ATOM 821 CA ILE A 58 15.406 -2.309 -4.105 1.00 0.66 C ATOM 822 C ILE A 58 14.163 -2.519 -3.249 1.00 0.61 C ATOM 823 O ILE A 58 13.078 -2.836 -3.745 1.00 0.69 O ATOM 824 CB ILE A 58 15.603 -0.814 -4.448 1.00 0.67 C ATOM 825 CG1 ILE A 58 17.058 -0.417 -4.210 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.663 0.093 -3.665 1.00 0.60 C ATOM 827 CD1 ILE A 58 17.470 -0.479 -2.752 1.00 0.71 C ATOM 0 H ILE A 58 14.657 -2.847 -5.981 1.00 0.77 H new ATOM 0 HA ILE A 58 16.256 -2.643 -3.510 1.00 0.66 H new ATOM 0 HB ILE A 58 15.357 -0.683 -5.502 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.705 -1.074 -4.791 1.00 0.72 H new ATOM 0 HG13 ILE A 58 17.216 0.596 -4.581 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.843 1.131 -3.944 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.630 -0.170 -3.893 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.842 -0.032 -2.597 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.515 -0.184 -2.656 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.847 0.199 -2.169 1.00 0.71 H new ATOM 0 HD13 ILE A 58 17.344 -1.496 -2.381 1.00 0.71 H new ATOM 839 N ALA A 59 14.364 -2.351 -1.956 1.00 0.57 N ATOM 840 CA ALA A 59 13.331 -2.528 -0.951 1.00 0.59 C ATOM 841 C ALA A 59 12.432 -1.302 -0.854 1.00 0.49 C ATOM 842 O ALA A 59 12.892 -0.171 -0.988 1.00 0.50 O ATOM 843 CB ALA A 59 14.003 -2.778 0.380 1.00 0.68 C ATOM 0 H ALA A 59 15.267 -2.082 -1.566 1.00 0.57 H new ATOM 0 HA ALA A 59 12.703 -3.374 -1.231 1.00 0.59 H new ATOM 0 HB1 ALA A 59 13.244 -2.914 1.151 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.618 -3.675 0.314 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.632 -1.925 0.636 1.00 0.68 H new ATOM 849 N ILE A 60 11.156 -1.544 -0.575 1.00 0.46 N ATOM 850 CA ILE A 60 10.151 -0.482 -0.460 1.00 0.42 C ATOM 851 C ILE A 60 10.547 0.555 0.594 1.00 0.40 C ATOM 852 O ILE A 60 10.428 1.759 0.370 1.00 0.39 O ATOM 853 CB ILE A 60 8.767 -1.085 -0.096 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.711 0.009 0.063 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.853 -1.922 1.175 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.384 0.723 -1.224 1.00 0.69 C ATOM 0 H ILE A 60 10.784 -2.481 -0.421 1.00 0.46 H new ATOM 0 HA ILE A 60 10.091 0.016 -1.428 1.00 0.42 H new ATOM 0 HB ILE A 60 8.467 -1.734 -0.919 1.00 0.53 H new ATOM 0 HG12 ILE A 60 6.800 -0.433 0.465 1.00 0.61 H new ATOM 0 HG13 ILE A 60 8.062 0.737 0.794 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.870 -2.333 1.407 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.561 -2.737 1.027 1.00 0.62 H new ATOM 0 HG23 ILE A 60 9.189 -1.295 2.001 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.628 1.485 -1.035 1.00 0.69 H new ATOM 0 HD12 ILE A 60 8.284 1.195 -1.617 1.00 0.69 H new ATOM 0 HD13 ILE A 60 7.003 0.006 -1.951 1.00 0.69 H new ATOM 868 N GLU A 61 11.058 0.081 1.723 1.00 0.49 N ATOM 869 CA GLU A 61 11.336 0.951 2.856 1.00 0.60 C ATOM 870 C GLU A 61 12.684 1.654 2.710 1.00 0.58 C ATOM 871 O GLU A 61 13.041 2.510 3.523 1.00 0.71 O ATOM 872 CB GLU A 61 11.237 0.169 4.178 1.00 0.83 C ATOM 873 CG GLU A 61 12.023 -1.141 4.237 1.00 0.73 C ATOM 874 CD GLU A 61 13.522 -0.946 4.305 1.00 1.47 C ATOM 875 OE1 GLU A 61 14.214 -1.303 3.333 1.00 2.20 O ATOM 876 OE2 GLU A 61 14.017 -0.444 5.336 1.00 1.82 O ATOM 0 H GLU A 61 11.288 -0.901 1.878 1.00 0.49 H new ATOM 0 HA GLU A 61 10.577 1.733 2.874 1.00 0.60 H new ATOM 0 HB2 GLU A 61 11.581 0.814 4.986 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.187 -0.050 4.371 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.699 -1.710 5.108 1.00 0.73 H new ATOM 0 HG3 GLU A 61 11.782 -1.739 3.358 1.00 0.73 H new ATOM 883 N ASP A 62 13.424 1.299 1.670 1.00 0.54 N ATOM 884 CA ASP A 62 14.682 1.970 1.370 1.00 0.60 C ATOM 885 C ASP A 62 14.513 2.869 0.151 1.00 0.51 C ATOM 886 O ASP A 62 15.182 3.894 0.018 1.00 0.65 O ATOM 887 CB ASP A 62 15.797 0.950 1.121 1.00 0.75 C ATOM 888 CG ASP A 62 17.146 1.612 0.909 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.705 2.161 1.884 1.00 1.22 O ATOM 890 OD2 ASP A 62 17.660 1.581 -0.227 1.00 1.98 O ATOM 0 H ASP A 62 13.177 0.552 1.021 1.00 0.54 H new ATOM 0 HA ASP A 62 14.962 2.580 2.229 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.859 0.268 1.969 1.00 0.75 H new ATOM 0 HB3 ASP A 62 15.548 0.349 0.246 1.00 0.75 H new ATOM 895 N GLU A 63 13.588 2.480 -0.719 1.00 0.40 N ATOM 896 CA GLU A 63 13.311 3.210 -1.946 1.00 0.40 C ATOM 897 C GLU A 63 12.670 4.559 -1.651 1.00 0.34 C ATOM 898 O GLU A 63 12.959 5.558 -2.315 1.00 0.42 O ATOM 899 CB GLU A 63 12.385 2.382 -2.836 1.00 0.43 C ATOM 900 CG GLU A 63 12.170 2.979 -4.209 1.00 0.64 C ATOM 901 CD GLU A 63 11.411 2.061 -5.136 1.00 1.40 C ATOM 902 OE1 GLU A 63 10.216 2.305 -5.363 1.00 2.09 O ATOM 903 OE2 GLU A 63 12.014 1.093 -5.643 1.00 1.68 O ATOM 0 H GLU A 63 13.010 1.649 -0.592 1.00 0.40 H new ATOM 0 HA GLU A 63 14.256 3.388 -2.460 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.801 1.380 -2.946 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.420 2.274 -2.341 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.626 3.918 -4.110 1.00 0.64 H new ATOM 0 HG3 GLU A 63 13.137 3.216 -4.652 1.00 0.64 H new ATOM 910 N CYS A 64 11.808 4.586 -0.652 1.00 0.29 N ATOM 911 CA CYS A 64 11.088 5.798 -0.310 1.00 0.32 C ATOM 912 C CYS A 64 11.540 6.305 1.057 1.00 0.40 C ATOM 913 O CYS A 64 12.384 5.685 1.707 1.00 0.60 O ATOM 914 CB CYS A 64 9.588 5.515 -0.295 1.00 0.33 C ATOM 915 SG CYS A 64 8.982 4.840 1.287 1.00 0.47 S ATOM 0 H CYS A 64 11.589 3.782 -0.063 1.00 0.29 H new ATOM 0 HA CYS A 64 11.300 6.565 -1.055 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.051 6.438 -0.515 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.352 4.811 -1.094 1.00 0.33 H new ATOM 920 N LYS A 65 10.990 7.433 1.487 1.00 0.43 N ATOM 921 CA LYS A 65 11.307 7.981 2.798 1.00 0.51 C ATOM 922 C LYS A 65 10.035 8.257 3.590 1.00 0.45 C ATOM 923 O LYS A 65 9.996 9.149 4.440 1.00 0.60 O ATOM 924 CB LYS A 65 12.148 9.256 2.664 1.00 0.69 C ATOM 925 CG LYS A 65 13.597 8.992 2.293 1.00 1.41 C ATOM 926 CD LYS A 65 14.328 8.276 3.419 1.00 1.33 C ATOM 927 CE LYS A 65 15.761 7.940 3.046 1.00 1.77 C ATOM 928 NZ LYS A 65 15.835 7.017 1.883 1.00 2.32 N ATOM 0 H LYS A 65 10.323 7.985 0.948 1.00 0.43 H new ATOM 0 HA LYS A 65 11.893 7.241 3.342 1.00 0.51 H new ATOM 0 HB2 LYS A 65 11.699 9.899 1.907 1.00 0.69 H new ATOM 0 HB3 LYS A 65 12.117 9.803 3.606 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.640 8.389 1.386 1.00 1.41 H new ATOM 0 HG3 LYS A 65 14.097 9.935 2.072 1.00 1.41 H new ATOM 0 HD2 LYS A 65 14.323 8.903 4.310 1.00 1.33 H new ATOM 0 HD3 LYS A 65 13.795 7.359 3.672 1.00 1.33 H new ATOM 0 HE2 LYS A 65 16.300 8.859 2.814 1.00 1.77 H new ATOM 0 HE3 LYS A 65 16.261 7.485 3.901 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 16.801 6.641 1.799 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 15.169 6.231 2.021 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 15.587 7.532 1.014 1.00 2.32 H new ATOM 942 N ASN A 66 9.003 7.478 3.306 1.00 0.35 N ATOM 943 CA ASN A 66 7.732 7.592 4.009 1.00 0.30 C ATOM 944 C ASN A 66 7.587 6.427 4.984 1.00 0.29 C ATOM 945 O ASN A 66 8.553 6.026 5.632 1.00 0.41 O ATOM 946 CB ASN A 66 6.574 7.586 3.017 1.00 0.36 C ATOM 947 CG ASN A 66 5.365 8.355 3.516 1.00 0.59 C ATOM 948 OD1 ASN A 66 5.077 8.395 4.712 1.00 1.06 O ATOM 949 ND2 ASN A 66 4.669 8.990 2.594 1.00 1.02 N ATOM 0 H ASN A 66 9.020 6.754 2.588 1.00 0.35 H new ATOM 0 HA ASN A 66 7.712 8.533 4.559 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.908 8.017 2.073 1.00 0.36 H new ATOM 0 HB3 ASN A 66 6.284 6.556 2.812 1.00 0.36 H new ATOM 0 HD21 ASN A 66 3.855 9.543 2.861 1.00 1.02 H new ATOM 0 HD22 ASN A 66 4.945 8.928 1.614 1.00 1.02 H new ATOM 956 N THR A 67 6.384 5.889 5.088 1.00 0.28 N ATOM 957 CA THR A 67 6.133 4.734 5.928 1.00 0.27 C ATOM 958 C THR A 67 5.688 3.544 5.081 1.00 0.25 C ATOM 959 O THR A 67 4.792 3.666 4.244 1.00 0.26 O ATOM 960 CB THR A 67 5.063 5.042 6.995 1.00 0.29 C ATOM 961 OG1 THR A 67 5.424 6.232 7.706 1.00 0.34 O ATOM 962 CG2 THR A 67 4.930 3.887 7.977 1.00 0.31 C ATOM 0 H THR A 67 5.561 6.238 4.597 1.00 0.28 H new ATOM 0 HA THR A 67 7.065 4.485 6.435 1.00 0.27 H new ATOM 0 HB THR A 67 4.106 5.185 6.494 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.743 6.428 8.383 1.00 0.34 H new ATOM 0 HG21 THR A 67 4.170 4.127 8.720 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.640 2.984 7.440 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.885 3.721 8.476 1.00 0.31 H new ATOM 970 N PRO A 68 6.319 2.383 5.284 1.00 0.28 N ATOM 971 CA PRO A 68 5.998 1.171 4.542 1.00 0.30 C ATOM 972 C PRO A 68 4.735 0.511 5.076 1.00 0.25 C ATOM 973 O PRO A 68 4.638 0.191 6.264 1.00 0.28 O ATOM 974 CB PRO A 68 7.219 0.279 4.768 1.00 0.38 C ATOM 975 CG PRO A 68 7.828 0.745 6.051 1.00 0.45 C ATOM 976 CD PRO A 68 7.378 2.164 6.281 1.00 0.38 C ATOM 0 HA PRO A 68 5.800 1.365 3.488 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.931 -0.771 4.830 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.927 0.368 3.944 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.516 0.106 6.877 1.00 0.45 H new ATOM 0 HG3 PRO A 68 8.916 0.692 6.000 1.00 0.45 H new ATOM 0 HD2 PRO A 68 7.003 2.301 7.295 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.200 2.867 6.147 1.00 0.38 H new ATOM 984 N THR A 69 3.756 0.324 4.209 1.00 0.23 N ATOM 985 CA THR A 69 2.493 -0.249 4.625 1.00 0.21 C ATOM 986 C THR A 69 2.083 -1.396 3.705 1.00 0.23 C ATOM 987 O THR A 69 2.398 -1.397 2.516 1.00 0.29 O ATOM 988 CB THR A 69 1.372 0.816 4.640 1.00 0.24 C ATOM 989 OG1 THR A 69 1.154 1.324 3.321 1.00 0.31 O ATOM 990 CG2 THR A 69 1.711 1.978 5.563 1.00 0.30 C ATOM 0 H THR A 69 3.812 0.560 3.218 1.00 0.23 H new ATOM 0 HA THR A 69 2.632 -0.632 5.636 1.00 0.21 H new ATOM 0 HB THR A 69 0.470 0.328 5.009 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.016 1.450 2.872 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.899 2.705 5.546 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.846 1.608 6.579 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.631 2.454 5.225 1.00 0.30 H new ATOM 998 N CYS A 70 1.402 -2.378 4.271 1.00 0.23 N ATOM 999 CA CYS A 70 0.845 -3.476 3.496 1.00 0.27 C ATOM 1000 C CYS A 70 -0.619 -3.188 3.185 1.00 0.22 C ATOM 1001 O CYS A 70 -1.475 -3.249 4.071 1.00 0.27 O ATOM 1002 CB CYS A 70 0.981 -4.791 4.267 1.00 0.38 C ATOM 1003 SG CYS A 70 -0.008 -6.169 3.591 1.00 1.26 S ATOM 0 H CYS A 70 1.220 -2.438 5.273 1.00 0.23 H new ATOM 0 HA CYS A 70 1.395 -3.571 2.560 1.00 0.27 H new ATOM 0 HB2 CYS A 70 2.031 -5.085 4.278 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.686 -4.623 5.303 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.899 -2.852 1.938 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.246 -2.496 1.523 1.00 0.19 C ATOM 1010 C CYS A 71 -2.978 -3.710 0.973 1.00 0.21 C ATOM 1011 O CYS A 71 -2.397 -4.546 0.284 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.204 -1.395 0.462 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.274 0.085 0.966 1.00 0.29 S ATOM 0 H CYS A 71 -0.206 -2.818 1.190 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.783 -2.129 2.398 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.759 -1.798 -0.448 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.225 -1.103 0.216 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.259 -3.792 1.286 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.108 -4.858 0.814 1.00 0.24 C ATOM 1020 C GLU A 72 -5.531 -4.581 -0.631 1.00 0.25 C ATOM 1021 O GLU A 72 -5.810 -5.498 -1.404 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.304 -4.964 1.765 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.571 -5.463 1.129 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.691 -5.602 2.131 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.541 -4.697 2.193 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.705 -6.599 2.883 1.00 1.37 O ATOM 0 H GLU A 72 -4.737 -3.114 1.879 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.582 -5.813 0.809 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.039 -5.630 2.586 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.494 -3.982 2.199 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.875 -4.776 0.339 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.384 -6.428 0.658 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.543 -3.302 -0.984 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.826 -2.855 -2.345 1.00 0.24 C ATOM 1035 C ASP A 73 -5.283 -1.440 -2.507 1.00 0.22 C ATOM 1036 O ASP A 73 -5.035 -0.769 -1.509 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.323 -2.865 -2.617 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.632 -2.700 -4.089 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.785 -2.364 -4.423 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.720 -2.909 -4.915 1.00 1.03 O ATOM 0 H ASP A 73 -5.356 -2.540 -0.332 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.350 -3.531 -3.055 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.750 -3.802 -2.260 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.799 -2.062 -2.054 1.00 0.29 H new ATOM 1045 N VAL A 74 -5.066 -0.992 -3.739 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.633 0.387 -3.981 1.00 0.30 C ATOM 1047 C VAL A 74 -5.318 0.931 -5.232 1.00 0.43 C ATOM 1048 O VAL A 74 -5.349 0.268 -6.269 1.00 0.68 O ATOM 1049 CB VAL A 74 -3.099 0.526 -4.165 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.662 1.949 -3.871 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.329 -0.453 -3.290 1.00 1.07 C ATOM 0 H VAL A 74 -5.181 -1.555 -4.582 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.914 0.955 -3.094 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.871 0.286 -5.203 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.583 2.033 -4.004 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -3.166 2.633 -4.554 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.922 2.205 -2.844 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.259 -0.321 -3.451 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.564 -0.267 -2.242 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.612 -1.473 -3.550 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.857 2.134 -5.135 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.580 2.736 -6.246 1.00 0.46 C ATOM 1063 C GLU A 75 -5.737 3.832 -6.901 1.00 0.50 C ATOM 1064 O GLU A 75 -4.749 4.298 -6.316 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.922 3.302 -5.763 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.864 3.681 -6.894 1.00 0.98 C ATOM 1067 CD GLU A 75 -10.197 4.200 -6.405 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -10.336 5.427 -6.238 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -11.116 3.385 -6.202 1.00 1.85 O ATOM 0 H GLU A 75 -5.809 2.715 -4.298 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.778 1.966 -6.991 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.410 2.564 -5.126 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.735 4.181 -5.146 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -8.390 4.441 -7.515 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -9.030 2.810 -7.528 1.00 0.98 H new ATOM 1076 N ASP A 76 -6.129 4.226 -8.117 1.00 0.61 N ATOM 1077 CA ASP A 76 -5.409 5.233 -8.895 1.00 0.65 C ATOM 1078 C ASP A 76 -4.044 4.692 -9.290 1.00 0.67 C ATOM 1079 O ASP A 76 -3.866 3.479 -9.408 1.00 0.69 O ATOM 1080 CB ASP A 76 -5.259 6.552 -8.114 1.00 0.61 C ATOM 1081 CG ASP A 76 -6.581 7.259 -7.880 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -6.922 7.524 -6.711 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -7.281 7.562 -8.866 1.00 1.15 O ATOM 0 H ASP A 76 -6.954 3.854 -8.587 1.00 0.61 H new ATOM 0 HA ASP A 76 -5.988 5.450 -9.793 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -4.789 6.346 -7.152 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -4.590 7.217 -8.660 1.00 0.61 H new ATOM 1088 N ASP A 77 -3.082 5.579 -9.491 1.00 0.70 N ATOM 1089 CA ASP A 77 -1.706 5.170 -9.778 1.00 0.77 C ATOM 1090 C ASP A 77 -1.087 4.481 -8.558 1.00 0.67 C ATOM 1091 O ASP A 77 0.004 3.911 -8.626 1.00 0.81 O ATOM 1092 CB ASP A 77 -0.870 6.391 -10.179 1.00 0.89 C ATOM 1093 CG ASP A 77 0.540 6.028 -10.603 1.00 1.36 C ATOM 1094 OD1 ASP A 77 0.698 5.402 -11.670 1.00 1.59 O ATOM 1095 OD2 ASP A 77 1.496 6.381 -9.882 1.00 2.12 O ATOM 0 H ASP A 77 -3.224 6.589 -9.462 1.00 0.70 H new ATOM 0 HA ASP A 77 -1.717 4.461 -10.606 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -1.367 6.912 -10.997 1.00 0.89 H new ATOM 0 HB3 ASP A 77 -0.824 7.085 -9.340 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.816 4.507 -7.454 1.00 0.51 N ATOM 1101 CA GLY A 78 -1.311 3.973 -6.211 1.00 0.44 C ATOM 1102 C GLY A 78 -1.270 5.037 -5.137 1.00 0.33 C ATOM 1103 O GLY A 78 -0.508 4.939 -4.180 1.00 0.35 O ATOM 0 H GLY A 78 -2.758 4.893 -7.399 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.942 3.146 -5.884 1.00 0.44 H new ATOM 0 HA3 GLY A 78 -0.310 3.569 -6.365 1.00 0.44 H new ATOM 1107 N LEU A 79 -2.097 6.062 -5.309 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.101 7.205 -4.407 1.00 0.22 C ATOM 1109 C LEU A 79 -3.105 7.017 -3.275 1.00 0.19 C ATOM 1110 O LEU A 79 -3.089 7.760 -2.294 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.435 8.479 -5.180 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.557 8.754 -6.402 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -2.041 9.994 -7.134 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -0.101 8.910 -5.994 1.00 0.94 C ATOM 0 H LEU A 79 -2.775 6.124 -6.068 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.106 7.289 -3.971 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.474 8.425 -5.505 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.358 9.327 -4.500 1.00 0.26 H new ATOM 0 HG LEU A 79 -1.632 7.902 -7.077 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -1.406 10.176 -8.001 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -3.069 9.844 -7.463 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -1.996 10.853 -6.464 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.506 9.105 -6.878 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.006 9.743 -5.298 1.00 0.94 H new ATOM 0 HD23 LEU A 79 0.242 7.994 -5.513 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.986 6.038 -3.421 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.980 5.744 -2.397 1.00 0.20 C ATOM 1128 C VAL A 80 -4.921 4.275 -2.018 1.00 0.20 C ATOM 1129 O VAL A 80 -5.319 3.408 -2.799 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.411 6.088 -2.868 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.438 5.726 -1.803 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.514 7.560 -3.226 1.00 0.33 C ATOM 0 H VAL A 80 -4.033 5.432 -4.240 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.746 6.364 -1.532 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.624 5.497 -3.759 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.437 5.978 -2.160 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.386 4.657 -1.596 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.227 6.283 -0.890 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.529 7.784 -3.556 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.275 8.165 -2.351 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.813 7.789 -4.029 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.414 3.998 -0.832 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.282 2.630 -0.393 1.00 0.21 C ATOM 1144 C GLY A 81 -5.423 2.198 0.498 1.00 0.20 C ATOM 1145 O GLY A 81 -5.937 2.990 1.287 1.00 0.26 O ATOM 0 H GLY A 81 -4.091 4.697 -0.164 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.236 1.975 -1.263 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.341 2.513 0.144 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.824 0.944 0.362 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.891 0.380 1.166 1.00 0.17 C ATOM 1151 C ILE A 82 -6.315 -0.547 2.221 1.00 0.17 C ATOM 1152 O ILE A 82 -5.575 -1.480 1.897 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.910 -0.404 0.300 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.946 0.535 -0.320 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.599 -1.491 1.108 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.377 1.451 -1.372 1.00 0.30 C ATOM 0 H ILE A 82 -5.418 0.291 -0.308 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.413 1.210 1.643 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.353 -0.880 -0.507 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.745 -0.060 -0.762 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.396 1.137 0.469 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.307 -2.023 0.473 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.854 -2.191 1.486 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.131 -1.040 1.946 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -9.169 2.088 -1.767 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.598 2.073 -0.930 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.952 0.857 -2.181 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.640 -0.269 3.479 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.242 -1.125 4.589 1.00 0.21 C ATOM 1170 C ASN A 83 -4.733 -1.281 4.635 1.00 0.22 C ATOM 1171 O ASN A 83 -4.208 -2.381 4.796 1.00 0.29 O ATOM 1172 CB ASN A 83 -6.933 -2.488 4.490 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.359 -2.435 4.988 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.683 -1.671 5.898 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.229 -3.222 4.384 1.00 0.29 N ATOM 0 H ASN A 83 -7.182 0.549 3.756 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.557 -0.652 5.519 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.923 -2.826 3.454 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.373 -3.222 5.070 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.209 -3.211 4.667 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.922 -3.841 3.634 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.045 -0.160 4.490 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.592 -0.151 4.469 1.00 0.23 C ATOM 1184 C CYS A 84 -2.036 -0.169 5.883 1.00 0.25 C ATOM 1185 O CYS A 84 -1.863 0.873 6.513 1.00 0.33 O ATOM 1186 CB CYS A 84 -2.078 1.073 3.719 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.643 1.173 1.995 1.00 0.81 S ATOM 0 H CYS A 84 -4.473 0.760 4.385 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.253 -1.048 3.951 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.397 1.971 4.248 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -0.988 1.064 3.734 1.00 0.26 H new ATOM 1192 N THR A 85 -1.775 -1.362 6.379 1.00 0.25 N ATOM 1193 CA THR A 85 -1.242 -1.528 7.716 1.00 0.28 C ATOM 1194 C THR A 85 0.278 -1.367 7.707 1.00 0.24 C ATOM 1195 O THR A 85 0.975 -2.056 6.960 1.00 0.23 O ATOM 1196 CB THR A 85 -1.627 -2.906 8.281 1.00 0.36 C ATOM 1197 OG1 THR A 85 -3.042 -3.096 8.138 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.244 -3.016 9.749 1.00 0.44 C ATOM 0 H THR A 85 -1.924 -2.235 5.873 1.00 0.25 H new ATOM 0 HA THR A 85 -1.671 -0.757 8.356 1.00 0.28 H new ATOM 0 HB THR A 85 -1.088 -3.675 7.727 1.00 0.36 H new ATOM 0 HG1 THR A 85 -3.292 -3.974 8.495 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.526 -3.999 10.126 1.00 0.44 H new ATOM 0 HG22 THR A 85 -0.167 -2.882 9.855 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.763 -2.246 10.319 1.00 0.44 H new ATOM 1206 N PRO A 86 0.806 -0.434 8.518 1.00 0.26 N ATOM 1207 CA PRO A 86 2.242 -0.153 8.586 1.00 0.28 C ATOM 1208 C PRO A 86 3.031 -1.343 9.108 1.00 0.33 C ATOM 1209 O PRO A 86 2.681 -1.942 10.130 1.00 0.39 O ATOM 1210 CB PRO A 86 2.343 1.025 9.562 1.00 0.37 C ATOM 1211 CG PRO A 86 0.968 1.588 9.626 1.00 0.35 C ATOM 1212 CD PRO A 86 0.051 0.423 9.443 1.00 0.29 C ATOM 0 HA PRO A 86 2.659 0.064 7.602 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.681 0.696 10.545 1.00 0.37 H new ATOM 0 HB3 PRO A 86 3.058 1.769 9.211 1.00 0.37 H new ATOM 0 HG2 PRO A 86 0.790 2.081 10.582 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.813 2.335 8.848 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.157 -0.082 10.386 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.909 0.724 9.025 1.00 0.29 H new ATOM 1220 N ILE A 87 4.087 -1.689 8.398 1.00 0.37 N ATOM 1221 CA ILE A 87 4.905 -2.815 8.758 1.00 0.47 C ATOM 1222 C ILE A 87 6.200 -2.352 9.414 1.00 0.57 C ATOM 1223 O ILE A 87 6.814 -1.376 8.974 1.00 0.56 O ATOM 1224 CB ILE A 87 5.213 -3.686 7.531 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.537 -2.816 6.313 1.00 0.41 C ATOM 1226 CG2 ILE A 87 4.036 -4.603 7.246 1.00 0.53 C ATOM 1227 CD1 ILE A 87 6.125 -3.584 5.151 1.00 0.49 C ATOM 0 H ILE A 87 4.396 -1.196 7.560 1.00 0.37 H new ATOM 0 HA ILE A 87 4.347 -3.418 9.475 1.00 0.47 H new ATOM 0 HB ILE A 87 6.091 -4.297 7.743 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.626 -2.317 5.982 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.237 -2.036 6.612 1.00 0.41 H new ATOM 0 HG21 ILE A 87 4.258 -5.220 6.375 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.857 -5.245 8.109 1.00 0.53 H new ATOM 0 HG23 ILE A 87 3.147 -4.004 7.049 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.327 -2.899 4.327 1.00 0.49 H new ATOM 0 HD12 ILE A 87 7.054 -4.061 5.463 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.418 -4.346 4.824 1.00 0.49 H new ATOM 1239 N PRO A 88 6.611 -3.025 10.496 1.00 0.73 N ATOM 1240 CA PRO A 88 7.818 -2.688 11.240 1.00 0.86 C ATOM 1241 C PRO A 88 9.084 -3.149 10.537 1.00 0.92 C ATOM 1242 O PRO A 88 9.068 -4.089 9.739 1.00 0.96 O ATOM 1243 CB PRO A 88 7.652 -3.451 12.562 1.00 1.05 C ATOM 1244 CG PRO A 88 6.261 -3.968 12.548 1.00 1.04 C ATOM 1245 CD PRO A 88 5.940 -4.170 11.106 1.00 0.85 C ATOM 0 HA PRO A 88 7.926 -1.610 11.357 1.00 0.86 H new ATOM 0 HB2 PRO A 88 8.373 -4.265 12.639 1.00 1.05 H new ATOM 0 HB3 PRO A 88 7.819 -2.796 13.417 1.00 1.05 H new ATOM 0 HG2 PRO A 88 6.181 -4.902 13.105 1.00 1.04 H new ATOM 0 HG3 PRO A 88 5.572 -3.261 13.011 1.00 1.04 H new ATOM 0 HD2 PRO A 88 6.323 -5.118 10.729 1.00 0.85 H new ATOM 0 HD3 PRO A 88 4.866 -4.163 10.920 1.00 0.85 H new ATOM 1253 N LEU A 89 10.182 -2.490 10.857 1.00 1.01 N ATOM 1254 CA LEU A 89 11.480 -2.833 10.298 1.00 1.13 C ATOM 1255 C LEU A 89 12.257 -3.696 11.281 1.00 1.31 C ATOM 1256 O LEU A 89 13.484 -3.787 11.221 1.00 1.45 O ATOM 1257 CB LEU A 89 12.272 -1.564 9.995 1.00 1.16 C ATOM 1258 CG LEU A 89 11.571 -0.556 9.079 1.00 1.10 C ATOM 1259 CD1 LEU A 89 12.457 0.658 8.850 1.00 1.23 C ATOM 1260 CD2 LEU A 89 11.200 -1.204 7.753 1.00 1.13 C ATOM 0 H LEU A 89 10.202 -1.705 11.508 1.00 1.01 H new ATOM 0 HA LEU A 89 11.328 -3.389 9.373 1.00 1.13 H new ATOM 0 HB2 LEU A 89 12.509 -1.070 10.937 1.00 1.16 H new ATOM 0 HB3 LEU A 89 13.220 -1.848 9.537 1.00 1.16 H new ATOM 0 HG LEU A 89 10.654 -0.227 9.567 1.00 1.10 H new ATOM 0 HD11 LEU A 89 11.944 1.365 8.197 1.00 1.23 H new ATOM 0 HD12 LEU A 89 12.672 1.137 9.805 1.00 1.23 H new ATOM 0 HD13 LEU A 89 13.391 0.344 8.383 1.00 1.23 H new ATOM 0 HD21 LEU A 89 10.703 -0.472 7.117 1.00 1.13 H new ATOM 0 HD22 LEU A 89 12.103 -1.562 7.258 1.00 1.13 H new ATOM 0 HD23 LEU A 89 10.528 -2.043 7.933 1.00 1.13 H new ATOM 1272 N ILE A 90 11.532 -4.333 12.182 1.00 1.37 N ATOM 1273 CA ILE A 90 12.146 -5.058 13.276 1.00 1.60 C ATOM 1274 C ILE A 90 11.691 -6.513 13.287 1.00 1.73 C ATOM 1275 O ILE A 90 10.486 -6.768 13.479 1.00 2.31 O ATOM 1276 CB ILE A 90 11.840 -4.378 14.627 1.00 1.67 C ATOM 1277 CG1 ILE A 90 10.337 -4.124 14.788 1.00 1.60 C ATOM 1278 CG2 ILE A 90 12.618 -3.072 14.734 1.00 1.68 C ATOM 1279 CD1 ILE A 90 9.962 -3.476 16.104 1.00 1.78 C ATOM 1280 OXT ILE A 90 12.539 -7.401 13.073 1.00 1.86 O ATOM 0 H ILE A 90 10.512 -4.362 12.176 1.00 1.37 H new ATOM 0 HA ILE A 90 13.226 -5.042 13.126 1.00 1.60 H new ATOM 0 HB ILE A 90 12.152 -5.046 15.430 1.00 1.67 H new ATOM 0 HG12 ILE A 90 9.996 -3.488 13.971 1.00 1.60 H new ATOM 0 HG13 ILE A 90 9.806 -5.072 14.697 1.00 1.60 H new ATOM 0 HG21 ILE A 90 12.399 -2.595 15.689 1.00 1.68 H new ATOM 0 HG22 ILE A 90 13.686 -3.278 14.668 1.00 1.68 H new ATOM 0 HG23 ILE A 90 12.326 -2.407 13.921 1.00 1.68 H new ATOM 0 HD11 ILE A 90 8.883 -3.329 16.143 1.00 1.78 H new ATOM 0 HD12 ILE A 90 10.270 -4.120 16.928 1.00 1.78 H new ATOM 0 HD13 ILE A 90 10.463 -2.512 16.191 1.00 1.78 H new TER 1292 ILE A 90