USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 423 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 Single : A 90 GLN :FLIP amide:sc= -0.457 F(o=-2.4,f=-0.46) USER MOD Single : A 91 GLN : amide:sc= -0.838 X(o=-0.84,f=-0.55) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -170:sc= -0.025 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.0918 USER MOD Single : A 123 CYS SG : rot -40:sc= -1.78 USER MOD Single : A 127 TYR OH : rot 114:sc= -0.825! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.5!) USER MOD Single : A 136 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.8) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.0483 F(o=-1.6!,f=-0.048) USER MOD Single : A 139 SER OG : rot -35:sc= 0.0845 USER MOD Single : A 143 SER OG : rot 180:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 90 -4.456 10.010 -9.344 1.00 7.42 N ATOM 2 CA GLN A 90 -4.646 10.898 -8.199 1.00 8.00 C ATOM 3 C GLN A 90 -3.580 10.653 -7.136 1.00 8.02 C ATOM 4 O GLN A 90 -2.575 9.988 -7.390 1.00 8.02 O ATOM 5 CB GLN A 90 -6.039 10.704 -7.594 1.00 8.61 C ATOM 6 CG GLN A 90 -6.243 9.341 -6.952 1.00 9.27 C ATOM 7 CD GLN A 90 -6.379 9.421 -5.442 1.00 9.99 C ATOM 8 OE1 GLN A 90 -7.031 10.473 -4.959 1.00 10.31 O flip ATOM 9 NE2 GLN A 90 -5.902 8.546 -4.718 1.00 10.47 N flip ATOM 0 HA GLN A 90 -4.553 11.925 -8.553 1.00 8.00 H new ATOM 0 HB2 GLN A 90 -6.211 11.478 -6.846 1.00 8.61 H new ATOM 0 HB3 GLN A 90 -6.787 10.844 -8.375 1.00 8.61 H new ATOM 0 HG2 GLN A 90 -7.137 8.877 -7.369 1.00 9.27 H new ATOM 0 HG3 GLN A 90 -5.402 8.695 -7.204 1.00 9.27 H new ATOM 0 HE21 GLN A 90 -5.409 7.755 -5.132 1.00 10.47 H new ATOM 0 HE22 GLN A 90 -6.000 8.613 -3.705 1.00 10.47 H new ATOM 18 N GLN A 91 -3.808 11.194 -5.945 1.00 8.30 N ATOM 19 CA GLN A 91 -2.874 11.037 -4.837 1.00 8.58 C ATOM 20 C GLN A 91 -2.976 9.634 -4.237 1.00 7.86 C ATOM 21 O GLN A 91 -2.954 8.640 -4.961 1.00 7.55 O ATOM 22 CB GLN A 91 -3.146 12.100 -3.769 1.00 9.49 C ATOM 23 CG GLN A 91 -1.891 12.595 -3.069 1.00 9.88 C ATOM 24 CD GLN A 91 -1.951 12.413 -1.565 1.00 10.82 C ATOM 25 OE1 GLN A 91 -0.966 12.027 -0.934 1.00 11.18 O ATOM 26 NE2 GLN A 91 -3.110 12.693 -0.980 1.00 11.40 N ATOM 0 H GLN A 91 -4.635 11.747 -5.722 1.00 8.30 H new ATOM 0 HA GLN A 91 -1.860 11.169 -5.215 1.00 8.58 H new ATOM 0 HB2 GLN A 91 -3.652 12.947 -4.232 1.00 9.49 H new ATOM 0 HB3 GLN A 91 -3.829 11.689 -3.025 1.00 9.49 H new ATOM 0 HG2 GLN A 91 -1.026 12.061 -3.462 1.00 9.88 H new ATOM 0 HG3 GLN A 91 -1.744 13.651 -3.298 1.00 9.88 H new ATOM 0 HE21 GLN A 91 -3.901 13.010 -1.541 1.00 11.40 H new ATOM 0 HE22 GLN A 91 -3.209 12.591 0.030 1.00 11.40 H new ATOM 35 N TRP A 92 -3.098 9.566 -2.916 1.00 7.74 N ATOM 36 CA TRP A 92 -3.216 8.288 -2.223 1.00 7.12 C ATOM 37 C TRP A 92 -4.156 8.407 -1.029 1.00 7.81 C ATOM 38 O TRP A 92 -3.950 9.237 -0.143 1.00 8.60 O ATOM 39 CB TRP A 92 -1.841 7.800 -1.756 1.00 6.73 C ATOM 40 CG TRP A 92 -1.005 7.217 -2.857 1.00 6.11 C ATOM 41 CD1 TRP A 92 0.282 7.552 -3.167 1.00 6.47 C ATOM 42 CD2 TRP A 92 -1.392 6.199 -3.791 1.00 5.26 C ATOM 43 NE1 TRP A 92 0.720 6.807 -4.235 1.00 5.95 N ATOM 44 CE2 TRP A 92 -0.289 5.970 -4.636 1.00 5.17 C ATOM 45 CE3 TRP A 92 -2.562 5.457 -3.998 1.00 4.81 C ATOM 46 CZ2 TRP A 92 -0.319 5.035 -5.667 1.00 4.65 C ATOM 47 CZ3 TRP A 92 -2.589 4.528 -5.024 1.00 4.27 C ATOM 48 CH2 TRP A 92 -1.475 4.326 -5.846 1.00 4.18 C ATOM 0 H TRP A 92 -3.118 10.381 -2.303 1.00 7.74 H new ATOM 0 HA TRP A 92 -3.629 7.562 -2.923 1.00 7.12 H new ATOM 0 HB2 TRP A 92 -1.303 8.634 -1.305 1.00 6.73 H new ATOM 0 HB3 TRP A 92 -1.976 7.049 -0.977 1.00 6.73 H new ATOM 0 HD1 TRP A 92 0.870 8.295 -2.648 1.00 6.47 H new ATOM 0 HE1 TRP A 92 1.645 6.867 -4.660 1.00 5.95 H new ATOM 0 HE3 TRP A 92 -3.427 5.607 -3.369 1.00 4.81 H new ATOM 0 HZ2 TRP A 92 0.539 4.875 -6.303 1.00 4.65 H new ATOM 0 HZ3 TRP A 92 -3.485 3.949 -5.193 1.00 4.27 H new ATOM 0 HH2 TRP A 92 -1.529 3.595 -6.639 1.00 4.18 H new ATOM 59 N LYS A 93 -5.189 7.570 -1.012 1.00 7.67 N ATOM 60 CA LYS A 93 -6.163 7.577 0.072 1.00 8.46 C ATOM 61 C LYS A 93 -6.543 6.154 0.465 1.00 8.08 C ATOM 62 O LYS A 93 -6.280 5.206 -0.275 1.00 7.25 O ATOM 63 CB LYS A 93 -7.415 8.353 -0.339 1.00 9.25 C ATOM 64 CG LYS A 93 -7.173 9.842 -0.529 1.00 10.03 C ATOM 65 CD LYS A 93 -8.065 10.414 -1.619 1.00 10.80 C ATOM 66 CE LYS A 93 -9.251 11.160 -1.032 1.00 11.72 C ATOM 67 NZ LYS A 93 -10.442 10.279 -0.881 1.00 12.39 N ATOM 0 H LYS A 93 -5.372 6.878 -1.738 1.00 7.67 H new ATOM 0 HA LYS A 93 -5.708 8.068 0.932 1.00 8.46 H new ATOM 0 HB2 LYS A 93 -7.803 7.935 -1.268 1.00 9.25 H new ATOM 0 HB3 LYS A 93 -8.185 8.212 0.420 1.00 9.25 H new ATOM 0 HG2 LYS A 93 -7.361 10.365 0.409 1.00 10.03 H new ATOM 0 HG3 LYS A 93 -6.127 10.012 -0.786 1.00 10.03 H new ATOM 0 HD2 LYS A 93 -7.485 11.088 -2.249 1.00 10.80 H new ATOM 0 HD3 LYS A 93 -8.422 9.607 -2.260 1.00 10.80 H new ATOM 0 HE2 LYS A 93 -8.977 11.570 -0.060 1.00 11.72 H new ATOM 0 HE3 LYS A 93 -9.503 12.004 -1.674 1.00 11.72 H new ATOM 0 HZ1 LYS A 93 -11.229 10.826 -0.477 1.00 12.39 H new ATOM 0 HZ2 LYS A 93 -10.720 9.908 -1.812 1.00 12.39 H new ATOM 0 HZ3 LYS A 93 -10.210 9.487 -0.248 1.00 12.39 H new ATOM 81 N VAL A 94 -7.164 6.013 1.630 1.00 8.81 N ATOM 82 CA VAL A 94 -7.581 4.704 2.114 1.00 8.73 C ATOM 83 C VAL A 94 -8.597 4.075 1.168 1.00 8.69 C ATOM 84 O VAL A 94 -9.561 4.721 0.756 1.00 9.36 O ATOM 85 CB VAL A 94 -8.187 4.788 3.527 1.00 9.74 C ATOM 86 CG1 VAL A 94 -8.261 3.406 4.157 1.00 9.66 C ATOM 87 CG2 VAL A 94 -7.380 5.738 4.400 1.00 10.15 C ATOM 0 H VAL A 94 -7.389 6.787 2.255 1.00 8.81 H new ATOM 0 HA VAL A 94 -6.688 4.080 2.155 1.00 8.73 H new ATOM 0 HB VAL A 94 -9.201 5.181 3.446 1.00 9.74 H new ATOM 0 HG11 VAL A 94 -8.692 3.484 5.155 1.00 9.66 H new ATOM 0 HG12 VAL A 94 -8.886 2.759 3.542 1.00 9.66 H new ATOM 0 HG13 VAL A 94 -7.259 2.984 4.226 1.00 9.66 H new ATOM 0 HG21 VAL A 94 -7.824 5.784 5.394 1.00 10.15 H new ATOM 0 HG22 VAL A 94 -6.354 5.379 4.477 1.00 10.15 H new ATOM 0 HG23 VAL A 94 -7.383 6.733 3.955 1.00 10.15 H new ATOM 97 N GLY A 95 -8.369 2.814 0.823 1.00 8.04 N ATOM 98 CA GLY A 95 -9.264 2.115 -0.079 1.00 8.20 C ATOM 99 C GLY A 95 -8.964 2.428 -1.530 1.00 7.64 C ATOM 100 O GLY A 95 -9.698 3.176 -2.176 1.00 8.10 O ATOM 0 H GLY A 95 -7.578 2.261 1.153 1.00 8.04 H new ATOM 0 HA2 GLY A 95 -9.179 1.041 0.085 1.00 8.20 H new ATOM 0 HA3 GLY A 95 -10.294 2.391 0.146 1.00 8.20 H new ATOM 104 N ASP A 96 -7.878 1.857 -2.041 1.00 6.70 N ATOM 105 CA ASP A 96 -7.473 2.076 -3.424 1.00 6.20 C ATOM 106 C ASP A 96 -6.665 0.894 -3.946 1.00 5.53 C ATOM 107 O ASP A 96 -5.669 0.495 -3.341 1.00 4.92 O ATOM 108 CB ASP A 96 -6.651 3.360 -3.539 1.00 5.87 C ATOM 109 CG ASP A 96 -6.934 4.111 -4.825 1.00 6.35 C ATOM 110 OD1 ASP A 96 -6.424 3.688 -5.883 1.00 6.44 O ATOM 111 OD2 ASP A 96 -7.662 5.124 -4.772 1.00 6.81 O ATOM 0 H ASP A 96 -7.261 1.237 -1.516 1.00 6.70 H new ATOM 0 HA ASP A 96 -8.374 2.174 -4.030 1.00 6.20 H new ATOM 0 HB2 ASP A 96 -6.869 4.006 -2.688 1.00 5.87 H new ATOM 0 HB3 ASP A 96 -5.590 3.115 -3.490 1.00 5.87 H new ATOM 116 N LYS A 97 -7.099 0.338 -5.073 1.00 5.83 N ATOM 117 CA LYS A 97 -6.414 -0.797 -5.678 1.00 5.62 C ATOM 118 C LYS A 97 -5.050 -0.378 -6.217 1.00 4.80 C ATOM 119 O LYS A 97 -4.960 0.337 -7.216 1.00 4.86 O ATOM 120 CB LYS A 97 -7.262 -1.391 -6.805 1.00 6.55 C ATOM 121 CG LYS A 97 -8.044 -2.628 -6.395 1.00 7.39 C ATOM 122 CD LYS A 97 -7.775 -3.795 -7.331 1.00 7.70 C ATOM 123 CE LYS A 97 -8.478 -5.058 -6.865 1.00 8.21 C ATOM 124 NZ LYS A 97 -9.946 -4.995 -7.104 1.00 9.10 N ATOM 0 H LYS A 97 -7.922 0.656 -5.585 1.00 5.83 H new ATOM 0 HA LYS A 97 -6.266 -1.555 -4.909 1.00 5.62 H new ATOM 0 HB2 LYS A 97 -7.959 -0.633 -7.161 1.00 6.55 H new ATOM 0 HB3 LYS A 97 -6.612 -1.644 -7.642 1.00 6.55 H new ATOM 0 HG2 LYS A 97 -7.775 -2.908 -5.376 1.00 7.39 H new ATOM 0 HG3 LYS A 97 -9.110 -2.401 -6.392 1.00 7.39 H new ATOM 0 HD2 LYS A 97 -8.111 -3.541 -8.336 1.00 7.70 H new ATOM 0 HD3 LYS A 97 -6.702 -3.976 -7.389 1.00 7.70 H new ATOM 0 HE2 LYS A 97 -8.062 -5.919 -7.387 1.00 8.21 H new ATOM 0 HE3 LYS A 97 -8.289 -5.208 -5.802 1.00 8.21 H new ATOM 0 HZ1 LYS A 97 -10.390 -5.875 -6.773 1.00 9.10 H new ATOM 0 HZ2 LYS A 97 -10.348 -4.188 -6.585 1.00 9.10 H new ATOM 0 HZ3 LYS A 97 -10.127 -4.878 -8.121 1.00 9.10 H new ATOM 138 N CYS A 98 -3.993 -0.822 -5.546 1.00 4.16 N ATOM 139 CA CYS A 98 -2.633 -0.490 -5.956 1.00 3.60 C ATOM 140 C CYS A 98 -1.795 -1.750 -6.141 1.00 3.78 C ATOM 141 O CYS A 98 -2.329 -2.856 -6.226 1.00 4.46 O ATOM 142 CB CYS A 98 -1.978 0.424 -4.918 1.00 2.97 C ATOM 143 SG CYS A 98 -1.591 -0.394 -3.352 1.00 2.58 S ATOM 0 H CYS A 98 -4.051 -1.412 -4.716 1.00 4.16 H new ATOM 0 HA CYS A 98 -2.685 0.031 -6.912 1.00 3.60 H new ATOM 0 HB2 CYS A 98 -1.059 0.833 -5.338 1.00 2.97 H new ATOM 0 HB3 CYS A 98 -2.641 1.266 -4.721 1.00 2.97 H new ATOM 0 HG CYS A 98 -1.238 0.496 -2.473 1.00 2.58 H new ATOM 149 N SER A 99 -0.477 -1.575 -6.204 1.00 3.54 N ATOM 150 CA SER A 99 0.439 -2.698 -6.377 1.00 4.08 C ATOM 151 C SER A 99 1.582 -2.621 -5.371 1.00 3.73 C ATOM 152 O SER A 99 2.253 -1.594 -5.260 1.00 3.54 O ATOM 153 CB SER A 99 0.996 -2.712 -7.802 1.00 5.02 C ATOM 154 OG SER A 99 0.684 -3.927 -8.461 1.00 5.76 O ATOM 0 H SER A 99 -0.020 -0.666 -6.138 1.00 3.54 H new ATOM 0 HA SER A 99 -0.114 -3.621 -6.203 1.00 4.08 H new ATOM 0 HB2 SER A 99 0.585 -1.874 -8.365 1.00 5.02 H new ATOM 0 HB3 SER A 99 2.077 -2.577 -7.774 1.00 5.02 H new ATOM 0 HG SER A 99 1.050 -3.909 -9.370 1.00 5.76 H new ATOM 160 N ALA A 100 1.799 -3.710 -4.640 1.00 3.97 N ATOM 161 CA ALA A 100 2.861 -3.759 -3.643 1.00 3.95 C ATOM 162 C ALA A 100 3.791 -4.944 -3.885 1.00 4.93 C ATOM 163 O ALA A 100 3.352 -6.013 -4.312 1.00 5.47 O ATOM 164 CB ALA A 100 2.268 -3.826 -2.244 1.00 3.19 C ATOM 0 H ALA A 100 1.254 -4.569 -4.720 1.00 3.97 H new ATOM 0 HA ALA A 100 3.451 -2.847 -3.732 1.00 3.95 H new ATOM 0 HB1 ALA A 100 3.072 -3.862 -1.509 1.00 3.19 H new ATOM 0 HB2 ALA A 100 1.654 -2.943 -2.067 1.00 3.19 H new ATOM 0 HB3 ALA A 100 1.652 -4.721 -2.152 1.00 3.19 H new ATOM 170 N ILE A 101 5.076 -4.744 -3.611 1.00 5.36 N ATOM 171 CA ILE A 101 6.073 -5.793 -3.799 1.00 6.34 C ATOM 172 C ILE A 101 6.148 -6.710 -2.583 1.00 6.26 C ATOM 173 O ILE A 101 6.093 -6.249 -1.442 1.00 5.81 O ATOM 174 CB ILE A 101 7.473 -5.202 -4.061 1.00 7.10 C ATOM 175 CG1 ILE A 101 7.378 -3.989 -4.987 1.00 7.16 C ATOM 176 CG2 ILE A 101 8.392 -6.258 -4.655 1.00 8.16 C ATOM 177 CD1 ILE A 101 8.338 -2.877 -4.624 1.00 7.47 C ATOM 0 H ILE A 101 5.452 -3.864 -3.258 1.00 5.36 H new ATOM 0 HA ILE A 101 5.758 -6.369 -4.669 1.00 6.34 H new ATOM 0 HB ILE A 101 7.894 -4.875 -3.110 1.00 7.10 H new ATOM 0 HG12 ILE A 101 7.573 -4.307 -6.011 1.00 7.16 H new ATOM 0 HG13 ILE A 101 6.359 -3.602 -4.962 1.00 7.16 H new ATOM 0 HG21 ILE A 101 9.376 -5.825 -4.834 1.00 8.16 H new ATOM 0 HG22 ILE A 101 8.484 -7.093 -3.960 1.00 8.16 H new ATOM 0 HG23 ILE A 101 7.976 -6.614 -5.597 1.00 8.16 H new ATOM 0 HD11 ILE A 101 8.216 -2.049 -5.322 1.00 7.47 H new ATOM 0 HD12 ILE A 101 8.129 -2.532 -3.611 1.00 7.47 H new ATOM 0 HD13 ILE A 101 9.361 -3.248 -4.677 1.00 7.47 H new ATOM 189 N TRP A 102 6.276 -8.008 -2.837 1.00 6.86 N ATOM 190 CA TRP A 102 6.363 -8.994 -1.766 1.00 6.96 C ATOM 191 C TRP A 102 7.805 -9.160 -1.297 1.00 7.60 C ATOM 192 O TRP A 102 8.725 -9.236 -2.112 1.00 8.38 O ATOM 193 CB TRP A 102 5.808 -10.340 -2.240 1.00 7.61 C ATOM 194 CG TRP A 102 5.277 -11.204 -1.132 1.00 7.54 C ATOM 195 CD1 TRP A 102 5.212 -10.898 0.200 1.00 6.89 C ATOM 196 CD2 TRP A 102 4.735 -12.523 -1.265 1.00 8.31 C ATOM 197 NE1 TRP A 102 4.664 -11.946 0.898 1.00 7.22 N ATOM 198 CE2 TRP A 102 4.362 -12.955 0.022 1.00 8.10 C ATOM 199 CE3 TRP A 102 4.528 -13.382 -2.350 1.00 9.26 C ATOM 200 CZ2 TRP A 102 3.796 -14.206 0.253 1.00 8.82 C ATOM 201 CZ3 TRP A 102 3.966 -14.622 -2.120 1.00 9.95 C ATOM 202 CH2 TRP A 102 3.604 -15.025 -0.828 1.00 9.73 C ATOM 0 H TRP A 102 6.322 -8.402 -3.777 1.00 6.86 H new ATOM 0 HA TRP A 102 5.766 -8.638 -0.926 1.00 6.96 H new ATOM 0 HB2 TRP A 102 5.010 -10.159 -2.961 1.00 7.61 H new ATOM 0 HB3 TRP A 102 6.595 -10.882 -2.765 1.00 7.61 H new ATOM 0 HD1 TRP A 102 5.543 -9.968 0.638 1.00 6.89 H new ATOM 0 HE1 TRP A 102 4.507 -11.969 1.906 1.00 7.22 H new ATOM 0 HE3 TRP A 102 4.803 -13.080 -3.350 1.00 9.26 H new ATOM 0 HZ2 TRP A 102 3.518 -14.519 1.249 1.00 8.82 H new ATOM 0 HZ3 TRP A 102 3.803 -15.293 -2.950 1.00 9.95 H new ATOM 0 HH2 TRP A 102 3.165 -16.001 -0.681 1.00 9.73 H new ATOM 213 N SER A 103 7.992 -9.212 0.018 1.00 7.36 N ATOM 214 CA SER A 103 9.323 -9.366 0.597 1.00 8.04 C ATOM 215 C SER A 103 9.698 -10.838 0.731 1.00 8.76 C ATOM 216 O SER A 103 10.463 -11.216 1.619 1.00 9.24 O ATOM 217 CB SER A 103 9.383 -8.684 1.965 1.00 7.63 C ATOM 218 OG SER A 103 10.413 -7.711 2.005 1.00 7.51 O ATOM 0 H SER A 103 7.239 -9.150 0.703 1.00 7.36 H new ATOM 0 HA SER A 103 10.040 -8.892 -0.073 1.00 8.04 H new ATOM 0 HB2 SER A 103 8.424 -8.213 2.182 1.00 7.63 H new ATOM 0 HB3 SER A 103 9.554 -9.431 2.740 1.00 7.63 H new ATOM 0 HG SER A 103 10.430 -7.288 2.889 1.00 7.51 H new ATOM 224 N GLU A 104 9.155 -11.665 -0.156 1.00 8.96 N ATOM 225 CA GLU A 104 9.434 -13.096 -0.137 1.00 9.78 C ATOM 226 C GLU A 104 10.311 -13.493 -1.320 1.00 10.72 C ATOM 227 O GLU A 104 11.325 -14.174 -1.156 1.00 11.50 O ATOM 228 CB GLU A 104 8.130 -13.893 -0.164 1.00 9.65 C ATOM 229 CG GLU A 104 7.783 -14.537 1.169 1.00 9.77 C ATOM 230 CD GLU A 104 7.772 -16.051 1.098 1.00 10.55 C ATOM 231 OE1 GLU A 104 7.300 -16.594 0.078 1.00 10.87 O ATOM 232 OE2 GLU A 104 8.237 -16.694 2.064 1.00 10.99 O ATOM 0 H GLU A 104 8.519 -11.369 -0.897 1.00 8.96 H new ATOM 0 HA GLU A 104 9.970 -13.324 0.784 1.00 9.78 H new ATOM 0 HB2 GLU A 104 7.316 -13.232 -0.462 1.00 9.65 H new ATOM 0 HB3 GLU A 104 8.204 -14.670 -0.925 1.00 9.65 H new ATOM 0 HG2 GLU A 104 8.504 -14.217 1.922 1.00 9.77 H new ATOM 0 HG3 GLU A 104 6.804 -14.185 1.495 1.00 9.77 H new ATOM 239 N ASP A 105 9.913 -13.063 -2.513 1.00 10.68 N ATOM 240 CA ASP A 105 10.661 -13.369 -3.726 1.00 11.61 C ATOM 241 C ASP A 105 10.917 -12.104 -4.539 1.00 11.51 C ATOM 242 O ASP A 105 11.578 -12.144 -5.577 1.00 12.31 O ATOM 243 CB ASP A 105 9.902 -14.391 -4.576 1.00 12.02 C ATOM 244 CG ASP A 105 9.710 -15.713 -3.858 1.00 12.58 C ATOM 245 OD1 ASP A 105 8.989 -15.734 -2.837 1.00 12.93 O ATOM 246 OD2 ASP A 105 10.282 -16.725 -4.314 1.00 12.80 O ATOM 0 H ASP A 105 9.076 -12.501 -2.665 1.00 10.68 H new ATOM 0 HA ASP A 105 11.622 -13.793 -3.434 1.00 11.61 H new ATOM 0 HB2 ASP A 105 8.928 -13.983 -4.846 1.00 12.02 H new ATOM 0 HB3 ASP A 105 10.445 -14.561 -5.506 1.00 12.02 H new ATOM 251 N GLY A 106 10.385 -10.984 -4.060 1.00 10.59 N ATOM 252 CA GLY A 106 10.563 -9.722 -4.754 1.00 10.51 C ATOM 253 C GLY A 106 9.712 -9.627 -6.003 1.00 10.58 C ATOM 254 O GLY A 106 10.143 -9.077 -7.017 1.00 11.27 O ATOM 0 H GLY A 106 9.834 -10.928 -3.204 1.00 10.59 H new ATOM 0 HA2 GLY A 106 10.311 -8.902 -4.082 1.00 10.51 H new ATOM 0 HA3 GLY A 106 11.613 -9.603 -5.022 1.00 10.51 H new ATOM 258 N CYS A 107 8.500 -10.168 -5.930 1.00 9.96 N ATOM 259 CA CYS A 107 7.581 -10.145 -7.063 1.00 10.08 C ATOM 260 C CYS A 107 6.447 -9.157 -6.820 1.00 9.03 C ATOM 261 O CYS A 107 6.072 -8.896 -5.678 1.00 8.22 O ATOM 262 CB CYS A 107 7.011 -11.543 -7.310 1.00 10.82 C ATOM 263 SG CYS A 107 7.673 -12.363 -8.779 1.00 12.07 S ATOM 0 H CYS A 107 8.131 -10.628 -5.098 1.00 9.96 H new ATOM 0 HA CYS A 107 8.136 -9.825 -7.945 1.00 10.08 H new ATOM 0 HB2 CYS A 107 7.213 -12.165 -6.438 1.00 10.82 H new ATOM 0 HB3 CYS A 107 5.928 -11.470 -7.405 1.00 10.82 H new ATOM 0 HG CYS A 107 7.132 -13.539 -8.901 1.00 12.07 H new ATOM 269 N ILE A 108 5.903 -8.609 -7.902 1.00 9.09 N ATOM 270 CA ILE A 108 4.812 -7.647 -7.803 1.00 8.18 C ATOM 271 C ILE A 108 3.463 -8.353 -7.718 1.00 8.20 C ATOM 272 O ILE A 108 3.156 -9.228 -8.529 1.00 9.05 O ATOM 273 CB ILE A 108 4.797 -6.682 -9.004 1.00 8.31 C ATOM 274 CG1 ILE A 108 6.219 -6.435 -9.512 1.00 8.80 C ATOM 275 CG2 ILE A 108 4.133 -5.369 -8.619 1.00 7.33 C ATOM 276 CD1 ILE A 108 6.558 -7.217 -10.763 1.00 9.51 C ATOM 0 H ILE A 108 6.200 -8.815 -8.856 1.00 9.09 H new ATOM 0 HA ILE A 108 4.980 -7.075 -6.891 1.00 8.18 H new ATOM 0 HB ILE A 108 4.220 -7.139 -9.808 1.00 8.31 H new ATOM 0 HG12 ILE A 108 6.345 -5.371 -9.713 1.00 8.80 H new ATOM 0 HG13 ILE A 108 6.928 -6.697 -8.726 1.00 8.80 H new ATOM 0 HG21 ILE A 108 4.130 -4.697 -9.478 1.00 7.33 H new ATOM 0 HG22 ILE A 108 3.107 -5.559 -8.303 1.00 7.33 H new ATOM 0 HG23 ILE A 108 4.685 -4.908 -7.800 1.00 7.33 H new ATOM 0 HD11 ILE A 108 7.581 -6.993 -11.066 1.00 9.51 H new ATOM 0 HD12 ILE A 108 6.465 -8.284 -10.561 1.00 9.51 H new ATOM 0 HD13 ILE A 108 5.873 -6.938 -11.563 1.00 9.51 H new ATOM 288 N TYR A 109 2.661 -7.965 -6.731 1.00 7.40 N ATOM 289 CA TYR A 109 1.342 -8.558 -6.535 1.00 7.58 C ATOM 290 C TYR A 109 0.306 -7.484 -6.204 1.00 6.75 C ATOM 291 O TYR A 109 0.633 -6.468 -5.589 1.00 5.79 O ATOM 292 CB TYR A 109 1.390 -9.599 -5.414 1.00 7.78 C ATOM 293 CG TYR A 109 2.048 -10.898 -5.821 1.00 8.74 C ATOM 294 CD1 TYR A 109 1.373 -11.826 -6.603 1.00 9.44 C ATOM 295 CD2 TYR A 109 3.345 -11.197 -5.420 1.00 9.05 C ATOM 296 CE1 TYR A 109 1.972 -13.014 -6.975 1.00 10.35 C ATOM 297 CE2 TYR A 109 3.950 -12.383 -5.789 1.00 9.98 C ATOM 298 CZ TYR A 109 3.259 -13.287 -6.566 1.00 10.60 C ATOM 299 OH TYR A 109 3.859 -14.470 -6.935 1.00 11.54 O ATOM 0 H TYR A 109 2.902 -7.242 -6.054 1.00 7.40 H new ATOM 0 HA TYR A 109 1.049 -9.047 -7.464 1.00 7.58 H new ATOM 0 HB2 TYR A 109 1.928 -9.180 -4.563 1.00 7.78 H new ATOM 0 HB3 TYR A 109 0.374 -9.806 -5.078 1.00 7.78 H new ATOM 0 HD1 TYR A 109 0.364 -11.616 -6.925 1.00 9.44 H new ATOM 0 HD2 TYR A 109 3.889 -10.491 -4.810 1.00 9.05 H new ATOM 0 HE1 TYR A 109 1.434 -13.726 -7.584 1.00 10.35 H new ATOM 0 HE2 TYR A 109 4.959 -12.600 -5.470 1.00 9.98 H new ATOM 0 HH TYR A 109 4.766 -14.506 -6.565 1.00 11.54 H new ATOM 309 N PRO A 110 -0.962 -7.694 -6.609 1.00 7.22 N ATOM 310 CA PRO A 110 -2.043 -6.735 -6.347 1.00 6.71 C ATOM 311 C PRO A 110 -2.226 -6.471 -4.856 1.00 6.03 C ATOM 312 O PRO A 110 -2.072 -7.376 -4.034 1.00 6.34 O ATOM 313 CB PRO A 110 -3.287 -7.421 -6.924 1.00 7.77 C ATOM 314 CG PRO A 110 -2.762 -8.419 -7.897 1.00 8.66 C ATOM 315 CD PRO A 110 -1.440 -8.876 -7.347 1.00 8.42 C ATOM 0 HA PRO A 110 -1.838 -5.761 -6.791 1.00 6.71 H new ATOM 0 HB2 PRO A 110 -3.871 -7.904 -6.140 1.00 7.77 H new ATOM 0 HB3 PRO A 110 -3.943 -6.701 -7.413 1.00 7.77 H new ATOM 0 HG2 PRO A 110 -3.450 -9.257 -8.006 1.00 8.66 H new ATOM 0 HG3 PRO A 110 -2.641 -7.975 -8.885 1.00 8.66 H new ATOM 0 HD2 PRO A 110 -1.552 -9.742 -6.694 1.00 8.42 H new ATOM 0 HD3 PRO A 110 -0.750 -9.163 -8.141 1.00 8.42 H new ATOM 323 N ALA A 111 -2.551 -5.229 -4.511 1.00 5.22 N ATOM 324 CA ALA A 111 -2.749 -4.855 -3.115 1.00 4.71 C ATOM 325 C ALA A 111 -3.865 -3.825 -2.964 1.00 4.65 C ATOM 326 O ALA A 111 -4.306 -3.223 -3.943 1.00 4.72 O ATOM 327 CB ALA A 111 -1.453 -4.318 -2.526 1.00 3.76 C ATOM 0 H ALA A 111 -2.682 -4.467 -5.176 1.00 5.22 H new ATOM 0 HA ALA A 111 -3.046 -5.750 -2.569 1.00 4.71 H new ATOM 0 HB1 ALA A 111 -1.614 -4.042 -1.484 1.00 3.76 H new ATOM 0 HB2 ALA A 111 -0.682 -5.086 -2.583 1.00 3.76 H new ATOM 0 HB3 ALA A 111 -1.134 -3.440 -3.088 1.00 3.76 H new ATOM 333 N THR A 112 -4.314 -3.631 -1.727 1.00 4.78 N ATOM 334 CA THR A 112 -5.378 -2.676 -1.434 1.00 5.14 C ATOM 335 C THR A 112 -5.061 -1.881 -0.169 1.00 4.91 C ATOM 336 O THR A 112 -4.946 -2.447 0.919 1.00 5.15 O ATOM 337 CB THR A 112 -6.735 -3.382 -1.257 1.00 6.32 C ATOM 338 OG1 THR A 112 -6.772 -4.577 -2.047 1.00 6.81 O ATOM 339 CG2 THR A 112 -7.881 -2.468 -1.661 1.00 6.83 C ATOM 0 H THR A 112 -3.956 -4.124 -0.909 1.00 4.78 H new ATOM 0 HA THR A 112 -5.441 -1.997 -2.285 1.00 5.14 H new ATOM 0 HB THR A 112 -6.850 -3.637 -0.204 1.00 6.32 H new ATOM 0 HG1 THR A 112 -7.637 -5.021 -1.928 1.00 6.81 H new ATOM 0 HG21 THR A 112 -8.828 -2.991 -1.527 1.00 6.83 H new ATOM 0 HG22 THR A 112 -7.869 -1.573 -1.039 1.00 6.83 H new ATOM 0 HG23 THR A 112 -7.769 -2.184 -2.707 1.00 6.83 H new ATOM 347 N ILE A 113 -4.915 -0.567 -0.321 1.00 4.70 N ATOM 348 CA ILE A 113 -4.603 0.304 0.807 1.00 4.93 C ATOM 349 C ILE A 113 -5.684 0.241 1.883 1.00 6.00 C ATOM 350 O ILE A 113 -6.793 0.736 1.693 1.00 6.70 O ATOM 351 CB ILE A 113 -4.430 1.767 0.353 1.00 4.99 C ATOM 352 CG1 ILE A 113 -3.352 1.863 -0.729 1.00 4.08 C ATOM 353 CG2 ILE A 113 -4.078 2.650 1.540 1.00 5.66 C ATOM 354 CD1 ILE A 113 -3.607 2.956 -1.743 1.00 4.34 C ATOM 0 H ILE A 113 -5.008 -0.083 -1.214 1.00 4.70 H new ATOM 0 HA ILE A 113 -3.664 -0.056 1.228 1.00 4.93 H new ATOM 0 HB ILE A 113 -5.373 2.117 -0.068 1.00 4.99 H new ATOM 0 HG12 ILE A 113 -2.387 2.038 -0.254 1.00 4.08 H new ATOM 0 HG13 ILE A 113 -3.283 0.907 -1.248 1.00 4.08 H new ATOM 0 HG21 ILE A 113 -3.959 3.680 1.204 1.00 5.66 H new ATOM 0 HG22 ILE A 113 -4.876 2.600 2.280 1.00 5.66 H new ATOM 0 HG23 ILE A 113 -3.146 2.304 1.987 1.00 5.66 H new ATOM 0 HD11 ILE A 113 -2.803 2.965 -2.479 1.00 4.34 H new ATOM 0 HD12 ILE A 113 -4.556 2.772 -2.246 1.00 4.34 H new ATOM 0 HD13 ILE A 113 -3.646 3.920 -1.236 1.00 4.34 H new ATOM 366 N ALA A 114 -5.352 -0.380 3.010 1.00 6.19 N ATOM 367 CA ALA A 114 -6.293 -0.519 4.118 1.00 7.25 C ATOM 368 C ALA A 114 -6.187 0.649 5.098 1.00 7.83 C ATOM 369 O ALA A 114 -7.183 1.054 5.696 1.00 8.77 O ATOM 370 CB ALA A 114 -6.061 -1.839 4.840 1.00 7.35 C ATOM 0 H ALA A 114 -4.437 -0.796 3.181 1.00 6.19 H new ATOM 0 HA ALA A 114 -7.301 -0.510 3.703 1.00 7.25 H new ATOM 0 HB1 ALA A 114 -6.768 -1.932 5.664 1.00 7.35 H new ATOM 0 HB2 ALA A 114 -6.205 -2.665 4.143 1.00 7.35 H new ATOM 0 HB3 ALA A 114 -5.044 -1.866 5.230 1.00 7.35 H new ATOM 376 N SER A 115 -4.978 1.178 5.269 1.00 7.42 N ATOM 377 CA SER A 115 -4.754 2.294 6.185 1.00 8.19 C ATOM 378 C SER A 115 -3.444 3.005 5.863 1.00 7.84 C ATOM 379 O SER A 115 -2.522 2.404 5.313 1.00 6.96 O ATOM 380 CB SER A 115 -4.740 1.797 7.632 1.00 8.69 C ATOM 381 OG SER A 115 -3.430 1.831 8.172 1.00 9.20 O ATOM 0 H SER A 115 -4.140 0.853 4.787 1.00 7.42 H new ATOM 0 HA SER A 115 -5.571 3.005 6.062 1.00 8.19 H new ATOM 0 HB2 SER A 115 -5.402 2.415 8.238 1.00 8.69 H new ATOM 0 HB3 SER A 115 -5.127 0.779 7.674 1.00 8.69 H new ATOM 0 HG SER A 115 -3.449 1.510 9.098 1.00 9.20 H new ATOM 387 N ILE A 116 -3.367 4.287 6.210 1.00 8.68 N ATOM 388 CA ILE A 116 -2.169 5.079 5.952 1.00 8.72 C ATOM 389 C ILE A 116 -1.818 5.957 7.151 1.00 9.82 C ATOM 390 O ILE A 116 -2.697 6.376 7.905 1.00 10.64 O ATOM 391 CB ILE A 116 -2.344 5.978 4.712 1.00 8.70 C ATOM 392 CG1 ILE A 116 -2.846 5.160 3.522 1.00 7.65 C ATOM 393 CG2 ILE A 116 -1.036 6.673 4.365 1.00 8.99 C ATOM 394 CD1 ILE A 116 -3.773 5.934 2.611 1.00 7.79 C ATOM 0 H ILE A 116 -4.120 4.799 6.670 1.00 8.68 H new ATOM 0 HA ILE A 116 -1.359 4.372 5.771 1.00 8.72 H new ATOM 0 HB ILE A 116 -3.087 6.740 4.945 1.00 8.70 H new ATOM 0 HG12 ILE A 116 -1.991 4.809 2.945 1.00 7.65 H new ATOM 0 HG13 ILE A 116 -3.366 4.276 3.891 1.00 7.65 H new ATOM 0 HG21 ILE A 116 -1.180 7.303 3.487 1.00 8.99 H new ATOM 0 HG22 ILE A 116 -0.717 7.290 5.206 1.00 8.99 H new ATOM 0 HG23 ILE A 116 -0.272 5.925 4.153 1.00 8.99 H new ATOM 0 HD11 ILE A 116 -4.092 5.295 1.788 1.00 7.79 H new ATOM 0 HD12 ILE A 116 -4.646 6.262 3.175 1.00 7.79 H new ATOM 0 HD13 ILE A 116 -3.250 6.804 2.213 1.00 7.79 H new ATOM 406 N ASP A 117 -0.528 6.237 7.316 1.00 9.92 N ATOM 407 CA ASP A 117 -0.057 7.071 8.415 1.00 11.01 C ATOM 408 C ASP A 117 0.956 8.099 7.917 1.00 11.42 C ATOM 409 O ASP A 117 2.150 7.813 7.819 1.00 11.09 O ATOM 410 CB ASP A 117 0.569 6.207 9.511 1.00 11.04 C ATOM 411 CG ASP A 117 -0.339 5.070 9.943 1.00 11.32 C ATOM 412 OD1 ASP A 117 -1.488 5.348 10.343 1.00 11.44 O ATOM 413 OD2 ASP A 117 0.101 3.903 9.879 1.00 11.56 O ATOM 0 H ASP A 117 0.211 5.897 6.700 1.00 9.92 H new ATOM 0 HA ASP A 117 -0.914 7.601 8.831 1.00 11.01 H new ATOM 0 HB2 ASP A 117 1.513 5.798 9.152 1.00 11.04 H new ATOM 0 HB3 ASP A 117 0.800 6.831 10.374 1.00 11.04 H new ATOM 418 N PHE A 118 0.466 9.292 7.591 1.00 12.23 N ATOM 419 CA PHE A 118 1.317 10.369 7.089 1.00 12.79 C ATOM 420 C PHE A 118 2.438 10.714 8.070 1.00 13.61 C ATOM 421 O PHE A 118 3.343 11.478 7.737 1.00 14.24 O ATOM 422 CB PHE A 118 0.477 11.617 6.803 1.00 13.45 C ATOM 423 CG PHE A 118 -0.489 11.441 5.667 1.00 12.78 C ATOM 424 CD1 PHE A 118 -0.111 11.734 4.367 1.00 12.45 C ATOM 425 CD2 PHE A 118 -1.775 10.980 5.899 1.00 12.56 C ATOM 426 CE1 PHE A 118 -0.998 11.573 3.319 1.00 11.89 C ATOM 427 CE2 PHE A 118 -2.666 10.817 4.856 1.00 12.01 C ATOM 428 CZ PHE A 118 -2.280 11.115 3.566 1.00 11.67 C ATOM 0 H PHE A 118 -0.521 9.539 7.666 1.00 12.23 H new ATOM 0 HA PHE A 118 1.777 10.018 6.165 1.00 12.79 H new ATOM 0 HB2 PHE A 118 -0.077 11.886 7.702 1.00 13.45 H new ATOM 0 HB3 PHE A 118 1.143 12.450 6.577 1.00 13.45 H new ATOM 0 HD1 PHE A 118 0.889 12.092 4.170 1.00 12.45 H new ATOM 0 HD2 PHE A 118 -2.084 10.745 6.907 1.00 12.56 H new ATOM 0 HE1 PHE A 118 -0.691 11.804 2.310 1.00 11.89 H new ATOM 0 HE2 PHE A 118 -3.665 10.456 5.051 1.00 12.01 H new ATOM 0 HZ PHE A 118 -2.977 10.991 2.750 1.00 11.67 H new ATOM 438 N LYS A 119 2.374 10.148 9.273 1.00 13.66 N ATOM 439 CA LYS A 119 3.391 10.403 10.291 1.00 14.45 C ATOM 440 C LYS A 119 4.793 10.163 9.734 1.00 14.19 C ATOM 441 O LYS A 119 5.544 11.108 9.494 1.00 14.83 O ATOM 442 CB LYS A 119 3.156 9.510 11.513 1.00 14.52 C ATOM 443 CG LYS A 119 1.924 9.890 12.317 1.00 15.42 C ATOM 444 CD LYS A 119 2.267 10.160 13.773 1.00 16.01 C ATOM 445 CE LYS A 119 2.001 11.609 14.151 1.00 16.53 C ATOM 446 NZ LYS A 119 3.013 12.531 13.564 1.00 16.87 N ATOM 0 H LYS A 119 1.632 9.512 9.566 1.00 13.66 H new ATOM 0 HA LYS A 119 3.313 11.448 10.592 1.00 14.45 H new ATOM 0 HB2 LYS A 119 3.059 8.476 11.183 1.00 14.52 H new ATOM 0 HB3 LYS A 119 4.031 9.558 12.161 1.00 14.52 H new ATOM 0 HG2 LYS A 119 1.463 10.776 11.881 1.00 15.42 H new ATOM 0 HG3 LYS A 119 1.189 9.087 12.259 1.00 15.42 H new ATOM 0 HD2 LYS A 119 1.680 9.502 14.414 1.00 16.01 H new ATOM 0 HD3 LYS A 119 3.316 9.924 13.950 1.00 16.01 H new ATOM 0 HE2 LYS A 119 1.007 11.897 13.810 1.00 16.53 H new ATOM 0 HE3 LYS A 119 2.006 11.708 15.236 1.00 16.53 H new ATOM 0 HZ1 LYS A 119 2.796 13.509 13.845 1.00 16.87 H new ATOM 0 HZ2 LYS A 119 3.959 12.273 13.910 1.00 16.87 H new ATOM 0 HZ3 LYS A 119 2.991 12.456 12.527 1.00 16.87 H new ATOM 460 N ARG A 120 5.135 8.895 9.531 1.00 13.31 N ATOM 461 CA ARG A 120 6.444 8.530 8.999 1.00 13.08 C ATOM 462 C ARG A 120 6.320 7.997 7.574 1.00 12.15 C ATOM 463 O ARG A 120 7.034 7.074 7.182 1.00 11.68 O ATOM 464 CB ARG A 120 7.110 7.485 9.896 1.00 12.82 C ATOM 465 CG ARG A 120 8.376 7.984 10.573 1.00 13.39 C ATOM 466 CD ARG A 120 9.429 6.891 10.661 1.00 13.47 C ATOM 467 NE ARG A 120 10.409 7.162 11.709 1.00 14.06 N ATOM 468 CZ ARG A 120 10.507 6.455 12.831 1.00 14.44 C ATOM 469 NH1 ARG A 120 9.686 5.434 13.049 1.00 14.31 N ATOM 470 NH2 ARG A 120 11.422 6.768 13.737 1.00 15.09 N ATOM 0 H ARG A 120 4.524 8.102 9.727 1.00 13.31 H new ATOM 0 HA ARG A 120 7.065 9.425 8.979 1.00 13.08 H new ATOM 0 HB2 ARG A 120 6.400 7.168 10.660 1.00 12.82 H new ATOM 0 HB3 ARG A 120 7.350 6.605 9.299 1.00 12.82 H new ATOM 0 HG2 ARG A 120 8.776 8.832 10.018 1.00 13.39 H new ATOM 0 HG3 ARG A 120 8.137 8.342 11.574 1.00 13.39 H new ATOM 0 HD2 ARG A 120 8.944 5.935 10.856 1.00 13.47 H new ATOM 0 HD3 ARG A 120 9.939 6.800 9.702 1.00 13.47 H new ATOM 0 HE ARG A 120 11.056 7.939 11.573 1.00 14.06 H new ATOM 0 HH11 ARG A 120 8.979 5.191 12.355 1.00 14.31 H new ATOM 0 HH12 ARG A 120 9.763 4.893 13.910 1.00 14.31 H new ATOM 0 HH21 ARG A 120 12.053 7.553 13.575 1.00 15.09 H new ATOM 0 HH22 ARG A 120 11.495 6.224 14.597 1.00 15.09 H new ATOM 484 N GLU A 121 5.411 8.596 6.806 1.00 11.98 N ATOM 485 CA GLU A 121 5.184 8.196 5.420 1.00 11.15 C ATOM 486 C GLU A 121 5.103 6.677 5.293 1.00 10.00 C ATOM 487 O GLU A 121 5.951 6.051 4.656 1.00 9.65 O ATOM 488 CB GLU A 121 6.300 8.736 4.524 1.00 11.64 C ATOM 489 CG GLU A 121 5.795 9.413 3.261 1.00 12.24 C ATOM 490 CD GLU A 121 6.508 10.721 2.975 1.00 13.04 C ATOM 491 OE1 GLU A 121 6.470 11.620 3.842 1.00 13.61 O ATOM 492 OE2 GLU A 121 7.106 10.845 1.886 1.00 13.22 O ATOM 0 H GLU A 121 4.818 9.363 7.123 1.00 11.98 H new ATOM 0 HA GLU A 121 4.231 8.618 5.099 1.00 11.15 H new ATOM 0 HB2 GLU A 121 6.898 9.448 5.093 1.00 11.64 H new ATOM 0 HB3 GLU A 121 6.960 7.915 4.246 1.00 11.64 H new ATOM 0 HG2 GLU A 121 5.927 8.739 2.414 1.00 12.24 H new ATOM 0 HG3 GLU A 121 4.725 9.600 3.356 1.00 12.24 H new ATOM 499 N THR A 122 4.079 6.088 5.904 1.00 9.51 N ATOM 500 CA THR A 122 3.892 4.642 5.861 1.00 8.44 C ATOM 501 C THR A 122 2.457 4.285 5.487 1.00 7.82 C ATOM 502 O THR A 122 1.579 5.147 5.469 1.00 8.35 O ATOM 503 CB THR A 122 4.239 3.991 7.212 1.00 8.64 C ATOM 504 OG1 THR A 122 3.485 4.609 8.263 1.00 9.57 O ATOM 505 CG2 THR A 122 5.726 4.119 7.507 1.00 8.95 C ATOM 0 H THR A 122 3.367 6.590 6.434 1.00 9.51 H new ATOM 0 HA THR A 122 4.569 4.257 5.098 1.00 8.44 H new ATOM 0 HB THR A 122 3.984 2.933 7.156 1.00 8.64 H new ATOM 0 HG1 THR A 122 3.710 4.188 9.119 1.00 9.57 H new ATOM 0 HG21 THR A 122 5.948 3.652 8.467 1.00 8.95 H new ATOM 0 HG22 THR A 122 6.297 3.624 6.722 1.00 8.95 H new ATOM 0 HG23 THR A 122 6.000 5.173 7.545 1.00 8.95 H new ATOM 513 N CYS A 123 2.228 3.009 5.189 1.00 6.82 N ATOM 514 CA CYS A 123 0.898 2.540 4.814 1.00 6.32 C ATOM 515 C CYS A 123 0.794 1.022 4.943 1.00 5.48 C ATOM 516 O CYS A 123 1.802 0.331 5.093 1.00 5.04 O ATOM 517 CB CYS A 123 0.571 2.965 3.380 1.00 5.96 C ATOM 518 SG CYS A 123 1.117 1.791 2.118 1.00 5.05 S ATOM 0 H CYS A 123 2.944 2.283 5.200 1.00 6.82 H new ATOM 0 HA CYS A 123 0.177 2.992 5.495 1.00 6.32 H new ATOM 0 HB2 CYS A 123 -0.507 3.103 3.290 1.00 5.96 H new ATOM 0 HB3 CYS A 123 1.034 3.933 3.185 1.00 5.96 H new ATOM 0 HG CYS A 123 2.286 1.322 2.439 1.00 5.05 H new ATOM 524 N VAL A 124 -0.431 0.514 4.879 1.00 5.51 N ATOM 525 CA VAL A 124 -0.679 -0.921 4.986 1.00 5.03 C ATOM 526 C VAL A 124 -1.474 -1.418 3.783 1.00 4.47 C ATOM 527 O VAL A 124 -2.599 -0.978 3.550 1.00 4.86 O ATOM 528 CB VAL A 124 -1.446 -1.263 6.279 1.00 5.88 C ATOM 529 CG1 VAL A 124 -1.766 -2.749 6.342 1.00 5.71 C ATOM 530 CG2 VAL A 124 -0.648 -0.832 7.501 1.00 6.50 C ATOM 0 H VAL A 124 -1.272 1.077 4.753 1.00 5.51 H new ATOM 0 HA VAL A 124 0.291 -1.418 5.013 1.00 5.03 H new ATOM 0 HB VAL A 124 -2.388 -0.715 6.272 1.00 5.88 H new ATOM 0 HG11 VAL A 124 -2.307 -2.966 7.263 1.00 5.71 H new ATOM 0 HG12 VAL A 124 -2.381 -3.025 5.486 1.00 5.71 H new ATOM 0 HG13 VAL A 124 -0.839 -3.322 6.322 1.00 5.71 H new ATOM 0 HG21 VAL A 124 -1.204 -1.081 8.405 1.00 6.50 H new ATOM 0 HG22 VAL A 124 0.311 -1.350 7.511 1.00 6.50 H new ATOM 0 HG23 VAL A 124 -0.479 0.244 7.464 1.00 6.50 H new ATOM 540 N VAL A 125 -0.882 -2.331 3.021 1.00 3.79 N ATOM 541 CA VAL A 125 -1.538 -2.881 1.840 1.00 3.55 C ATOM 542 C VAL A 125 -1.936 -4.338 2.052 1.00 4.11 C ATOM 543 O VAL A 125 -1.180 -5.122 2.625 1.00 4.19 O ATOM 544 CB VAL A 125 -0.627 -2.788 0.601 1.00 2.74 C ATOM 545 CG1 VAL A 125 -0.538 -1.352 0.108 1.00 2.53 C ATOM 546 CG2 VAL A 125 0.755 -3.340 0.912 1.00 2.61 C ATOM 0 H VAL A 125 0.050 -2.706 3.199 1.00 3.79 H new ATOM 0 HA VAL A 125 -2.435 -2.285 1.674 1.00 3.55 H new ATOM 0 HB VAL A 125 -1.064 -3.393 -0.194 1.00 2.74 H new ATOM 0 HG11 VAL A 125 0.110 -1.307 -0.767 1.00 2.53 H new ATOM 0 HG12 VAL A 125 -1.533 -0.996 -0.159 1.00 2.53 H new ATOM 0 HG13 VAL A 125 -0.127 -0.722 0.896 1.00 2.53 H new ATOM 0 HG21 VAL A 125 1.384 -3.266 0.025 1.00 2.61 H new ATOM 0 HG22 VAL A 125 1.202 -2.766 1.723 1.00 2.61 H new ATOM 0 HG23 VAL A 125 0.671 -4.385 1.211 1.00 2.61 H new ATOM 556 N VAL A 126 -3.128 -4.692 1.579 1.00 4.74 N ATOM 557 CA VAL A 126 -3.629 -6.057 1.708 1.00 5.60 C ATOM 558 C VAL A 126 -3.438 -6.826 0.405 1.00 5.78 C ATOM 559 O VAL A 126 -3.684 -6.298 -0.677 1.00 5.73 O ATOM 560 CB VAL A 126 -5.121 -6.078 2.089 1.00 6.59 C ATOM 561 CG1 VAL A 126 -5.520 -7.453 2.604 1.00 7.53 C ATOM 562 CG2 VAL A 126 -5.428 -5.005 3.123 1.00 6.75 C ATOM 0 H VAL A 126 -3.765 -4.053 1.103 1.00 4.74 H new ATOM 0 HA VAL A 126 -3.057 -6.534 2.503 1.00 5.60 H new ATOM 0 HB VAL A 126 -5.707 -5.864 1.195 1.00 6.59 H new ATOM 0 HG11 VAL A 126 -6.577 -7.450 2.869 1.00 7.53 H new ATOM 0 HG12 VAL A 126 -5.342 -8.198 1.828 1.00 7.53 H new ATOM 0 HG13 VAL A 126 -4.926 -7.698 3.485 1.00 7.53 H new ATOM 0 HG21 VAL A 126 -6.487 -5.038 3.378 1.00 6.75 H new ATOM 0 HG22 VAL A 126 -4.834 -5.183 4.019 1.00 6.75 H new ATOM 0 HG23 VAL A 126 -5.183 -4.025 2.714 1.00 6.75 H new ATOM 572 N TYR A 127 -2.996 -8.074 0.517 1.00 6.19 N ATOM 573 CA TYR A 127 -2.770 -8.913 -0.656 1.00 6.72 C ATOM 574 C TYR A 127 -4.077 -9.526 -1.147 1.00 7.79 C ATOM 575 O TYR A 127 -4.583 -10.485 -0.567 1.00 8.59 O ATOM 576 CB TYR A 127 -1.761 -10.015 -0.328 1.00 7.03 C ATOM 577 CG TYR A 127 -0.320 -9.557 -0.397 1.00 6.28 C ATOM 578 CD1 TYR A 127 0.124 -8.473 0.354 1.00 5.71 C ATOM 579 CD2 TYR A 127 0.598 -10.208 -1.213 1.00 6.38 C ATOM 580 CE1 TYR A 127 1.439 -8.053 0.291 1.00 5.23 C ATOM 581 CE2 TYR A 127 1.914 -9.794 -1.279 1.00 5.99 C ATOM 582 CZ TYR A 127 2.329 -8.716 -0.526 1.00 5.42 C ATOM 583 OH TYR A 127 3.637 -8.298 -0.590 1.00 5.31 O ATOM 0 H TYR A 127 -2.787 -8.527 1.407 1.00 6.19 H new ATOM 0 HA TYR A 127 -2.367 -8.287 -1.452 1.00 6.72 H new ATOM 0 HB2 TYR A 127 -1.965 -10.397 0.672 1.00 7.03 H new ATOM 0 HB3 TYR A 127 -1.903 -10.844 -1.021 1.00 7.03 H new ATOM 0 HD1 TYR A 127 -0.570 -7.952 0.996 1.00 5.71 H new ATOM 0 HD2 TYR A 127 0.277 -11.052 -1.805 1.00 6.38 H new ATOM 0 HE1 TYR A 127 1.768 -7.209 0.879 1.00 5.23 H new ATOM 0 HE2 TYR A 127 2.615 -10.312 -1.917 1.00 5.99 H new ATOM 0 HH TYR A 127 4.221 -8.993 -0.221 1.00 5.31 H new ATOM 593 N THR A 128 -4.621 -8.955 -2.218 1.00 7.86 N ATOM 594 CA THR A 128 -5.874 -9.434 -2.793 1.00 8.91 C ATOM 595 C THR A 128 -5.794 -10.910 -3.170 1.00 9.91 C ATOM 596 O THR A 128 -4.985 -11.305 -4.009 1.00 10.27 O ATOM 597 CB THR A 128 -6.258 -8.623 -4.044 1.00 8.84 C ATOM 598 OG1 THR A 128 -5.596 -7.354 -4.032 1.00 7.77 O ATOM 599 CG2 THR A 128 -7.764 -8.412 -4.111 1.00 9.50 C ATOM 0 H THR A 128 -4.212 -8.158 -2.706 1.00 7.86 H new ATOM 0 HA THR A 128 -6.637 -9.304 -2.025 1.00 8.91 H new ATOM 0 HB THR A 128 -5.944 -9.187 -4.923 1.00 8.84 H new ATOM 0 HG1 THR A 128 -5.846 -6.847 -4.833 1.00 7.77 H new ATOM 0 HG21 THR A 128 -8.011 -7.837 -5.003 1.00 9.50 H new ATOM 0 HG22 THR A 128 -8.265 -9.379 -4.152 1.00 9.50 H new ATOM 0 HG23 THR A 128 -8.095 -7.869 -3.226 1.00 9.50 H new ATOM 607 N GLY A 129 -6.652 -11.717 -2.549 1.00 10.49 N ATOM 608 CA GLY A 129 -6.676 -13.139 -2.838 1.00 11.51 C ATOM 609 C GLY A 129 -5.647 -13.928 -2.050 1.00 11.53 C ATOM 610 O GLY A 129 -5.393 -15.094 -2.350 1.00 12.41 O ATOM 0 H GLY A 129 -7.330 -11.410 -1.851 1.00 10.49 H new ATOM 0 HA2 GLY A 129 -7.669 -13.531 -2.619 1.00 11.51 H new ATOM 0 HA3 GLY A 129 -6.501 -13.289 -3.903 1.00 11.51 H new ATOM 614 N TYR A 130 -5.048 -13.297 -1.042 1.00 10.62 N ATOM 615 CA TYR A 130 -4.041 -13.962 -0.221 1.00 10.62 C ATOM 616 C TYR A 130 -4.380 -13.850 1.263 1.00 10.60 C ATOM 617 O TYR A 130 -3.932 -14.663 2.073 1.00 11.27 O ATOM 618 CB TYR A 130 -2.659 -13.363 -0.486 1.00 9.73 C ATOM 619 CG TYR A 130 -1.924 -14.014 -1.637 1.00 10.03 C ATOM 620 CD1 TYR A 130 -1.368 -15.279 -1.504 1.00 10.64 C ATOM 621 CD2 TYR A 130 -1.788 -13.362 -2.856 1.00 9.83 C ATOM 622 CE1 TYR A 130 -0.696 -15.877 -2.553 1.00 11.09 C ATOM 623 CE2 TYR A 130 -1.118 -13.953 -3.910 1.00 10.27 C ATOM 624 CZ TYR A 130 -0.575 -15.209 -3.754 1.00 10.92 C ATOM 625 OH TYR A 130 0.094 -15.802 -4.801 1.00 11.49 O ATOM 0 H TYR A 130 -5.242 -12.332 -0.776 1.00 10.62 H new ATOM 0 HA TYR A 130 -4.031 -15.018 -0.492 1.00 10.62 H new ATOM 0 HB2 TYR A 130 -2.768 -12.298 -0.692 1.00 9.73 H new ATOM 0 HB3 TYR A 130 -2.055 -13.453 0.417 1.00 9.73 H new ATOM 0 HD1 TYR A 130 -1.462 -15.804 -0.565 1.00 10.64 H new ATOM 0 HD2 TYR A 130 -2.213 -12.377 -2.982 1.00 9.83 H new ATOM 0 HE1 TYR A 130 -0.268 -16.861 -2.433 1.00 11.09 H new ATOM 0 HE2 TYR A 130 -1.021 -13.433 -4.851 1.00 10.27 H new ATOM 0 HH TYR A 130 0.089 -15.201 -5.575 1.00 11.49 H new ATOM 635 N GLY A 131 -5.174 -12.844 1.611 1.00 9.97 N ATOM 636 CA GLY A 131 -5.565 -12.646 2.996 1.00 10.07 C ATOM 637 C GLY A 131 -4.384 -12.370 3.910 1.00 9.30 C ATOM 638 O GLY A 131 -4.291 -12.933 5.000 1.00 9.47 O ATOM 0 H GLY A 131 -5.555 -12.160 0.958 1.00 9.97 H new ATOM 0 HA2 GLY A 131 -6.266 -11.813 3.055 1.00 10.07 H new ATOM 0 HA3 GLY A 131 -6.092 -13.532 3.350 1.00 10.07 H new ATOM 642 N ASN A 132 -3.482 -11.499 3.463 1.00 8.58 N ATOM 643 CA ASN A 132 -2.302 -11.147 4.249 1.00 7.89 C ATOM 644 C ASN A 132 -2.045 -9.645 4.198 1.00 6.95 C ATOM 645 O ASN A 132 -2.324 -8.994 3.192 1.00 6.64 O ATOM 646 CB ASN A 132 -1.076 -11.904 3.733 1.00 7.85 C ATOM 647 CG ASN A 132 -0.457 -12.797 4.789 1.00 7.69 C ATOM 648 OD1 ASN A 132 -1.125 -13.215 5.735 1.00 7.99 O ATOM 649 ND2 ASN A 132 0.828 -13.097 4.633 1.00 7.49 N ATOM 0 H ASN A 132 -3.545 -11.025 2.562 1.00 8.58 H new ATOM 0 HA ASN A 132 -2.487 -11.432 5.285 1.00 7.89 H new ATOM 0 HB2 ASN A 132 -1.362 -12.509 2.873 1.00 7.85 H new ATOM 0 HB3 ASN A 132 -0.331 -11.188 3.385 1.00 7.85 H new ATOM 0 HD21 ASN A 132 1.298 -13.695 5.312 1.00 7.49 H new ATOM 0 HD22 ASN A 132 1.344 -12.729 3.834 1.00 7.49 H new ATOM 656 N ARG A 133 -1.512 -9.095 5.287 1.00 6.59 N ATOM 657 CA ARG A 133 -1.220 -7.667 5.357 1.00 5.87 C ATOM 658 C ARG A 133 0.283 -7.422 5.413 1.00 5.31 C ATOM 659 O ARG A 133 1.005 -8.099 6.146 1.00 5.65 O ATOM 660 CB ARG A 133 -1.893 -7.046 6.582 1.00 6.37 C ATOM 661 CG ARG A 133 -3.393 -6.857 6.428 1.00 6.55 C ATOM 662 CD ARG A 133 -4.006 -6.203 7.659 1.00 7.46 C ATOM 663 NE ARG A 133 -3.224 -6.465 8.867 1.00 7.96 N ATOM 664 CZ ARG A 133 -3.712 -7.070 9.946 1.00 8.74 C ATOM 665 NH1 ARG A 133 -4.977 -7.469 9.973 1.00 9.12 N ATOM 666 NH2 ARG A 133 -2.935 -7.275 11.001 1.00 9.35 N ATOM 0 H ARG A 133 -1.274 -9.616 6.131 1.00 6.59 H new ATOM 0 HA ARG A 133 -1.615 -7.197 4.456 1.00 5.87 H new ATOM 0 HB2 ARG A 133 -1.703 -7.679 7.449 1.00 6.37 H new ATOM 0 HB3 ARG A 133 -1.433 -6.079 6.786 1.00 6.37 H new ATOM 0 HG2 ARG A 133 -3.594 -6.242 5.551 1.00 6.55 H new ATOM 0 HG3 ARG A 133 -3.866 -7.824 6.255 1.00 6.55 H new ATOM 0 HD2 ARG A 133 -4.077 -5.127 7.500 1.00 7.46 H new ATOM 0 HD3 ARG A 133 -5.022 -6.573 7.798 1.00 7.46 H new ATOM 0 HE ARG A 133 -2.249 -6.167 8.883 1.00 7.96 H new ATOM 0 HH11 ARG A 133 -5.579 -7.312 9.164 1.00 9.12 H new ATOM 0 HH12 ARG A 133 -5.348 -7.933 10.802 1.00 9.12 H new ATOM 0 HH21 ARG A 133 -1.962 -6.969 10.985 1.00 9.35 H new ATOM 0 HH22 ARG A 133 -3.310 -7.739 11.828 1.00 9.35 H new ATOM 680 N GLU A 134 0.750 -6.447 4.640 1.00 4.60 N ATOM 681 CA GLU A 134 2.168 -6.109 4.604 1.00 4.37 C ATOM 682 C GLU A 134 2.362 -4.597 4.599 1.00 4.10 C ATOM 683 O GLU A 134 1.883 -3.904 3.702 1.00 3.69 O ATOM 684 CB GLU A 134 2.830 -6.723 3.370 1.00 4.32 C ATOM 685 CG GLU A 134 3.825 -7.824 3.696 1.00 4.69 C ATOM 686 CD GLU A 134 3.158 -9.071 4.242 1.00 5.28 C ATOM 687 OE1 GLU A 134 2.397 -9.714 3.488 1.00 5.49 O ATOM 688 OE2 GLU A 134 3.396 -9.404 5.421 1.00 5.81 O ATOM 0 H GLU A 134 0.166 -5.876 4.029 1.00 4.60 H new ATOM 0 HA GLU A 134 2.638 -6.517 5.499 1.00 4.37 H new ATOM 0 HB2 GLU A 134 2.057 -7.126 2.716 1.00 4.32 H new ATOM 0 HB3 GLU A 134 3.340 -5.937 2.813 1.00 4.32 H new ATOM 0 HG2 GLU A 134 4.385 -8.080 2.797 1.00 4.69 H new ATOM 0 HG3 GLU A 134 4.545 -7.453 4.425 1.00 4.69 H new ATOM 695 N GLU A 135 3.064 -4.087 5.609 1.00 4.58 N ATOM 696 CA GLU A 135 3.315 -2.656 5.716 1.00 4.87 C ATOM 697 C GLU A 135 4.322 -2.195 4.668 1.00 4.79 C ATOM 698 O GLU A 135 5.417 -2.747 4.558 1.00 5.09 O ATOM 699 CB GLU A 135 3.824 -2.308 7.115 1.00 5.81 C ATOM 700 CG GLU A 135 4.030 -0.816 7.331 1.00 6.48 C ATOM 701 CD GLU A 135 4.478 -0.488 8.742 1.00 7.38 C ATOM 702 OE1 GLU A 135 3.726 -0.797 9.691 1.00 7.86 O ATOM 703 OE2 GLU A 135 5.580 0.077 8.898 1.00 7.78 O ATOM 0 H GLU A 135 3.467 -4.644 6.362 1.00 4.58 H new ATOM 0 HA GLU A 135 2.373 -2.137 5.539 1.00 4.87 H new ATOM 0 HB2 GLU A 135 3.114 -2.680 7.854 1.00 5.81 H new ATOM 0 HB3 GLU A 135 4.767 -2.826 7.289 1.00 5.81 H new ATOM 0 HG2 GLU A 135 4.773 -0.449 6.623 1.00 6.48 H new ATOM 0 HG3 GLU A 135 3.100 -0.290 7.117 1.00 6.48 H new ATOM 710 N GLN A 136 3.944 -1.176 3.903 1.00 4.64 N ATOM 711 CA GLN A 136 4.810 -0.630 2.867 1.00 4.84 C ATOM 712 C GLN A 136 4.884 0.889 2.969 1.00 5.56 C ATOM 713 O GLN A 136 4.145 1.505 3.737 1.00 5.86 O ATOM 714 CB GLN A 136 4.305 -1.038 1.483 1.00 4.04 C ATOM 715 CG GLN A 136 5.410 -1.478 0.537 1.00 4.34 C ATOM 716 CD GLN A 136 6.033 -2.799 0.942 1.00 4.37 C ATOM 717 OE1 GLN A 136 6.945 -2.843 1.768 1.00 4.53 O ATOM 718 NE2 GLN A 136 5.539 -3.888 0.363 1.00 4.63 N ATOM 0 H GLN A 136 3.040 -0.711 3.983 1.00 4.64 H new ATOM 0 HA GLN A 136 5.811 -1.035 3.012 1.00 4.84 H new ATOM 0 HB2 GLN A 136 3.587 -1.851 1.593 1.00 4.04 H new ATOM 0 HB3 GLN A 136 3.771 -0.198 1.038 1.00 4.04 H new ATOM 0 HG2 GLN A 136 5.006 -1.565 -0.472 1.00 4.34 H new ATOM 0 HG3 GLN A 136 6.183 -0.710 0.506 1.00 4.34 H new ATOM 0 HE21 GLN A 136 4.783 -3.806 -0.317 1.00 4.63 H new ATOM 0 HE22 GLN A 136 5.916 -4.806 0.598 1.00 4.63 H new ATOM 727 N ASN A 137 5.779 1.487 2.190 1.00 6.06 N ATOM 728 CA ASN A 137 5.948 2.936 2.195 1.00 6.90 C ATOM 729 C ASN A 137 5.213 3.573 1.020 1.00 6.54 C ATOM 730 O ASN A 137 5.163 3.007 -0.072 1.00 5.95 O ATOM 731 CB ASN A 137 7.433 3.296 2.136 1.00 7.87 C ATOM 732 CG ASN A 137 8.128 3.102 3.469 1.00 8.40 C ATOM 733 OD1 ASN A 137 7.895 1.955 4.097 1.00 8.92 O flip ATOM 734 ND2 ASN A 137 8.868 3.972 3.929 1.00 8.47 N flip ATOM 0 H ASN A 137 6.398 0.992 1.548 1.00 6.06 H new ATOM 0 HA ASN A 137 5.523 3.324 3.121 1.00 6.90 H new ATOM 0 HB2 ASN A 137 7.923 2.682 1.381 1.00 7.87 H new ATOM 0 HB3 ASN A 137 7.540 4.334 1.821 1.00 7.87 H new ATOM 0 HD21 ASN A 137 9.019 4.839 3.413 1.00 8.47 H new ATOM 0 HD22 ASN A 137 9.330 3.826 4.826 1.00 8.47 H new ATOM 741 N LEU A 138 4.640 4.749 1.255 1.00 7.04 N ATOM 742 CA LEU A 138 3.902 5.464 0.219 1.00 6.90 C ATOM 743 C LEU A 138 4.779 5.719 -1.004 1.00 7.16 C ATOM 744 O LEU A 138 4.321 5.608 -2.140 1.00 6.67 O ATOM 745 CB LEU A 138 3.369 6.790 0.764 1.00 7.77 C ATOM 746 CG LEU A 138 2.339 6.660 1.889 1.00 7.75 C ATOM 747 CD1 LEU A 138 2.277 7.942 2.703 1.00 8.95 C ATOM 748 CD2 LEU A 138 0.970 6.318 1.319 1.00 7.32 C ATOM 0 H LEU A 138 4.672 5.228 2.155 1.00 7.04 H new ATOM 0 HA LEU A 138 3.062 4.840 -0.085 1.00 6.90 H new ATOM 0 HB2 LEU A 138 4.210 7.380 1.128 1.00 7.77 H new ATOM 0 HB3 LEU A 138 2.919 7.349 -0.057 1.00 7.77 H new ATOM 0 HG LEU A 138 2.647 5.850 2.550 1.00 7.75 H new ATOM 0 HD11 LEU A 138 1.540 7.833 3.499 1.00 8.95 H new ATOM 0 HD12 LEU A 138 3.255 8.143 3.140 1.00 8.95 H new ATOM 0 HD13 LEU A 138 1.991 8.771 2.055 1.00 8.95 H new ATOM 0 HD21 LEU A 138 0.249 6.229 2.132 1.00 7.32 H new ATOM 0 HD22 LEU A 138 0.652 7.107 0.637 1.00 7.32 H new ATOM 0 HD23 LEU A 138 1.026 5.373 0.779 1.00 7.32 H new ATOM 760 N SER A 139 6.040 6.062 -0.763 1.00 8.07 N ATOM 761 CA SER A 139 6.977 6.334 -1.847 1.00 8.59 C ATOM 762 C SER A 139 7.325 5.053 -2.602 1.00 8.04 C ATOM 763 O SER A 139 7.883 5.100 -3.697 1.00 8.40 O ATOM 764 CB SER A 139 8.251 6.978 -1.299 1.00 9.76 C ATOM 765 OG SER A 139 9.058 7.484 -2.348 1.00 10.26 O ATOM 0 H SER A 139 6.436 6.158 0.172 1.00 8.07 H new ATOM 0 HA SER A 139 6.498 7.025 -2.541 1.00 8.59 H new ATOM 0 HB2 SER A 139 7.989 7.786 -0.615 1.00 9.76 H new ATOM 0 HB3 SER A 139 8.815 6.244 -0.724 1.00 9.76 H new ATOM 0 HG SER A 139 8.982 6.899 -3.131 1.00 10.26 H new ATOM 771 N ASP A 140 6.993 3.912 -2.007 1.00 7.28 N ATOM 772 CA ASP A 140 7.272 2.619 -2.623 1.00 6.90 C ATOM 773 C ASP A 140 6.000 1.988 -3.183 1.00 5.82 C ATOM 774 O ASP A 140 6.018 0.853 -3.660 1.00 5.53 O ATOM 775 CB ASP A 140 7.919 1.677 -1.606 1.00 6.97 C ATOM 776 CG ASP A 140 9.239 1.115 -2.095 1.00 7.80 C ATOM 777 OD1 ASP A 140 9.237 0.395 -3.116 1.00 8.30 O ATOM 778 OD2 ASP A 140 10.277 1.396 -1.459 1.00 8.12 O ATOM 0 H ASP A 140 6.531 3.856 -1.100 1.00 7.28 H new ATOM 0 HA ASP A 140 7.963 2.783 -3.450 1.00 6.90 H new ATOM 0 HB2 ASP A 140 8.080 2.212 -0.670 1.00 6.97 H new ATOM 0 HB3 ASP A 140 7.236 0.856 -1.390 1.00 6.97 H new ATOM 783 N LEU A 141 4.897 2.730 -3.124 1.00 5.41 N ATOM 784 CA LEU A 141 3.617 2.241 -3.631 1.00 4.46 C ATOM 785 C LEU A 141 3.576 2.309 -5.155 1.00 4.72 C ATOM 786 O LEU A 141 4.063 3.268 -5.755 1.00 5.47 O ATOM 787 CB LEU A 141 2.461 3.056 -3.043 1.00 4.23 C ATOM 788 CG LEU A 141 2.126 2.761 -1.579 1.00 3.96 C ATOM 789 CD1 LEU A 141 0.984 3.648 -1.104 1.00 4.31 C ATOM 790 CD2 LEU A 141 1.770 1.292 -1.395 1.00 3.01 C ATOM 0 H LEU A 141 4.863 3.671 -2.731 1.00 5.41 H new ATOM 0 HA LEU A 141 3.509 1.200 -3.325 1.00 4.46 H new ATOM 0 HB2 LEU A 141 2.701 4.115 -3.136 1.00 4.23 H new ATOM 0 HB3 LEU A 141 1.570 2.877 -3.645 1.00 4.23 H new ATOM 0 HG LEU A 141 3.007 2.979 -0.976 1.00 3.96 H new ATOM 0 HD11 LEU A 141 0.759 3.425 -0.061 1.00 4.31 H new ATOM 0 HD12 LEU A 141 1.274 4.695 -1.197 1.00 4.31 H new ATOM 0 HD13 LEU A 141 0.100 3.461 -1.714 1.00 4.31 H new ATOM 0 HD21 LEU A 141 1.535 1.103 -0.348 1.00 3.01 H new ATOM 0 HD22 LEU A 141 0.904 1.047 -2.011 1.00 3.01 H new ATOM 0 HD23 LEU A 141 2.615 0.672 -1.695 1.00 3.01 H new ATOM 802 N LEU A 142 2.990 1.288 -5.775 1.00 4.30 N ATOM 803 CA LEU A 142 2.887 1.236 -7.231 1.00 4.79 C ATOM 804 C LEU A 142 1.439 1.416 -7.681 1.00 4.37 C ATOM 805 O LEU A 142 0.507 1.109 -6.939 1.00 3.72 O ATOM 806 CB LEU A 142 3.437 -0.090 -7.756 1.00 5.32 C ATOM 807 CG LEU A 142 4.925 -0.327 -7.485 1.00 5.88 C ATOM 808 CD1 LEU A 142 5.170 -1.768 -7.066 1.00 6.01 C ATOM 809 CD2 LEU A 142 5.753 0.022 -8.711 1.00 6.92 C ATOM 0 H LEU A 142 2.580 0.487 -5.294 1.00 4.30 H new ATOM 0 HA LEU A 142 3.480 2.053 -7.642 1.00 4.79 H new ATOM 0 HB2 LEU A 142 2.868 -0.905 -7.309 1.00 5.32 H new ATOM 0 HB3 LEU A 142 3.267 -0.136 -8.832 1.00 5.32 H new ATOM 0 HG LEU A 142 5.233 0.324 -6.667 1.00 5.88 H new ATOM 0 HD11 LEU A 142 6.233 -1.916 -6.878 1.00 6.01 H new ATOM 0 HD12 LEU A 142 4.607 -1.983 -6.158 1.00 6.01 H new ATOM 0 HD13 LEU A 142 4.845 -2.438 -7.862 1.00 6.01 H new ATOM 0 HD21 LEU A 142 6.808 -0.153 -8.499 1.00 6.92 H new ATOM 0 HD22 LEU A 142 5.443 -0.602 -9.549 1.00 6.92 H new ATOM 0 HD23 LEU A 142 5.603 1.071 -8.965 1.00 6.92 H new ATOM 821 N SER A 143 1.262 1.915 -8.902 1.00 4.93 N ATOM 822 CA SER A 143 -0.072 2.135 -9.452 1.00 4.89 C ATOM 823 C SER A 143 -0.714 0.811 -9.862 1.00 5.19 C ATOM 824 O SER A 143 -0.016 -0.175 -10.099 1.00 5.64 O ATOM 825 CB SER A 143 0.000 3.076 -10.658 1.00 5.50 C ATOM 826 OG SER A 143 1.341 3.409 -10.970 1.00 6.07 O ATOM 0 H SER A 143 2.025 2.174 -9.528 1.00 4.93 H new ATOM 0 HA SER A 143 -0.688 2.594 -8.679 1.00 4.89 H new ATOM 0 HB2 SER A 143 -0.470 2.603 -11.520 1.00 5.50 H new ATOM 0 HB3 SER A 143 -0.563 3.985 -10.447 1.00 5.50 H new ATOM 0 HG SER A 143 1.357 4.009 -11.745 1.00 6.07 H new ATOM 832 N PRO A 144 -2.057 0.768 -9.956 1.00 5.25 N ATOM 833 CA PRO A 144 -2.781 -0.449 -10.344 1.00 5.91 C ATOM 834 C PRO A 144 -2.509 -0.842 -11.791 1.00 6.73 C ATOM 835 O PRO A 144 -3.178 -0.367 -12.710 1.00 7.04 O ATOM 836 CB PRO A 144 -4.253 -0.068 -10.159 1.00 6.05 C ATOM 837 CG PRO A 144 -4.278 1.416 -10.272 1.00 5.71 C ATOM 838 CD PRO A 144 -2.975 1.894 -9.695 1.00 5.04 C ATOM 0 HA PRO A 144 -2.477 -1.311 -9.750 1.00 5.91 H new ATOM 0 HB2 PRO A 144 -4.881 -0.533 -10.919 1.00 6.05 H new ATOM 0 HB3 PRO A 144 -4.628 -0.397 -9.190 1.00 6.05 H new ATOM 0 HG2 PRO A 144 -4.383 1.727 -11.311 1.00 5.71 H new ATOM 0 HG3 PRO A 144 -5.124 1.835 -9.727 1.00 5.71 H new ATOM 0 HD2 PRO A 144 -2.634 2.811 -10.176 1.00 5.04 H new ATOM 0 HD3 PRO A 144 -3.060 2.105 -8.629 1.00 5.04 H new ATOM 846 N ILE A 145 -1.523 -1.711 -11.989 1.00 7.30 N ATOM 847 CA ILE A 145 -1.162 -2.164 -13.326 1.00 8.19 C ATOM 848 C ILE A 145 -1.856 -3.479 -13.666 1.00 8.35 C ATOM 849 O ILE A 145 -2.471 -3.612 -14.724 1.00 8.81 O ATOM 850 CB ILE A 145 0.363 -2.346 -13.469 1.00 8.86 C ATOM 851 CG1 ILE A 145 1.108 -1.165 -12.838 1.00 9.14 C ATOM 852 CG2 ILE A 145 0.743 -2.499 -14.935 1.00 9.47 C ATOM 853 CD1 ILE A 145 0.759 0.178 -13.447 1.00 9.94 C ATOM 0 H ILE A 145 -0.960 -2.115 -11.240 1.00 7.30 H new ATOM 0 HA ILE A 145 -1.492 -1.392 -14.021 1.00 8.19 H new ATOM 0 HB ILE A 145 0.654 -3.254 -12.941 1.00 8.86 H new ATOM 0 HG12 ILE A 145 0.887 -1.137 -11.771 1.00 9.14 H new ATOM 0 HG13 ILE A 145 2.181 -1.330 -12.937 1.00 9.14 H new ATOM 0 HG21 ILE A 145 1.822 -2.627 -15.020 1.00 9.47 H new ATOM 0 HG22 ILE A 145 0.241 -3.372 -15.352 1.00 9.47 H new ATOM 0 HG23 ILE A 145 0.439 -1.608 -15.485 1.00 9.47 H new ATOM 0 HD11 ILE A 145 1.327 0.963 -12.947 1.00 9.94 H new ATOM 0 HD12 ILE A 145 1.006 0.171 -14.509 1.00 9.94 H new ATOM 0 HD13 ILE A 145 -0.307 0.367 -13.324 1.00 9.94 H new TER 865 ILE A 145