USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 405 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 111 CYS SG : rot -146:sc= 1.72 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -3.85 K(o=-2.1,f=-8.2) USER MOD Set 1.3: A 122 MET CE :methyl 163:sc= -4.65 (180deg=-3.84) USER MOD Set 1.4: A 134 CYS SG : rot -172:sc= 1.27 USER MOD Set 1.5: A 137 CYS SG : rot 79:sc= 0.758 USER MOD Set 1.6: A 139 SER OG : rot 125:sc= 1.72 USER MOD Set 1.7: A 141 TYR OH : rot 40:sc= 0.922 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -122:sc= 0.859 USER MOD Single : A 103 TYR OH : rot 15:sc= 1.26 USER MOD Single : A 106 TYR OH : rot -132:sc= 0.151 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.6 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 177:sc= 1.28 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 170:sc= 1.65 (180deg=1.49) USER MOD Single : A 144 ASN : amide:sc= -2.06 K(o=-2.1,f=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.957 -8.080 -0.240 1.00 0.60 N ATOM 2 CA MET A 94 -6.687 -7.754 0.984 1.00 0.66 C ATOM 3 C MET A 94 -6.528 -8.713 2.162 1.00 0.89 C ATOM 4 O MET A 94 -7.465 -9.049 2.875 1.00 1.89 O ATOM 5 CB MET A 94 -8.162 -7.672 0.630 1.00 0.67 C ATOM 6 CG MET A 94 -8.388 -6.952 -0.697 1.00 0.67 C ATOM 7 SD MET A 94 -9.972 -6.118 -0.924 1.00 1.02 S ATOM 8 CE MET A 94 -9.389 -4.406 -0.997 1.00 3.17 C ATOM 0 HA MET A 94 -6.255 -6.817 1.335 1.00 0.66 H new ATOM 0 HB2 MET A 94 -8.579 -8.678 0.573 1.00 0.67 H new ATOM 0 HB3 MET A 94 -8.697 -7.149 1.423 1.00 0.67 H new ATOM 0 HG2 MET A 94 -7.596 -6.213 -0.819 1.00 0.67 H new ATOM 0 HG3 MET A 94 -8.271 -7.680 -1.500 1.00 0.67 H new ATOM 0 HE1 MET A 94 -10.239 -3.738 -1.136 1.00 3.17 H new ATOM 0 HE2 MET A 94 -8.879 -4.155 -0.067 1.00 3.17 H new ATOM 0 HE3 MET A 94 -8.698 -4.292 -1.832 1.00 3.17 H new ATOM 18 N LYS A 95 -5.316 -9.185 2.332 1.00 0.94 N ATOM 19 CA LYS A 95 -4.907 -10.003 3.460 1.00 0.94 C ATOM 20 C LYS A 95 -3.769 -9.314 4.193 1.00 0.90 C ATOM 21 O LYS A 95 -3.957 -8.717 5.247 1.00 1.26 O ATOM 22 CB LYS A 95 -4.605 -11.438 2.963 1.00 0.96 C ATOM 23 CG LYS A 95 -3.724 -11.543 1.699 1.00 0.86 C ATOM 24 CD LYS A 95 -2.368 -12.202 1.979 1.00 0.94 C ATOM 25 CE LYS A 95 -1.391 -12.004 0.816 1.00 1.01 C ATOM 26 NZ LYS A 95 -1.686 -12.871 -0.349 1.00 2.17 N ATOM 0 H LYS A 95 -4.560 -9.007 1.671 1.00 0.94 H new ATOM 0 HA LYS A 95 -5.702 -10.111 4.198 1.00 0.94 H new ATOM 0 HB2 LYS A 95 -4.117 -11.986 3.769 1.00 0.96 H new ATOM 0 HB3 LYS A 95 -5.552 -11.940 2.765 1.00 0.96 H new ATOM 0 HG2 LYS A 95 -4.253 -12.117 0.939 1.00 0.86 H new ATOM 0 HG3 LYS A 95 -3.562 -10.546 1.290 1.00 0.86 H new ATOM 0 HD2 LYS A 95 -1.940 -11.782 2.889 1.00 0.94 H new ATOM 0 HD3 LYS A 95 -2.511 -13.268 2.157 1.00 0.94 H new ATOM 0 HE2 LYS A 95 -1.419 -10.961 0.501 1.00 1.01 H new ATOM 0 HE3 LYS A 95 -0.378 -12.205 1.163 1.00 1.01 H new ATOM 0 HZ1 LYS A 95 -0.991 -12.690 -1.101 1.00 2.17 H new ATOM 0 HZ2 LYS A 95 -1.633 -13.869 -0.061 1.00 2.17 H new ATOM 0 HZ3 LYS A 95 -2.641 -12.663 -0.703 1.00 2.17 H new ATOM 40 N ASP A 96 -2.610 -9.385 3.557 1.00 0.77 N ATOM 41 CA ASP A 96 -1.282 -9.088 4.070 1.00 0.74 C ATOM 42 C ASP A 96 -0.257 -9.344 2.923 1.00 0.64 C ATOM 43 O ASP A 96 0.311 -10.426 2.788 1.00 0.78 O ATOM 44 CB ASP A 96 -1.107 -9.939 5.319 1.00 0.93 C ATOM 45 CG ASP A 96 0.175 -9.608 6.066 1.00 1.34 C ATOM 46 OD1 ASP A 96 0.294 -8.406 6.406 1.00 2.59 O ATOM 47 OD2 ASP A 96 0.964 -10.538 6.332 1.00 1.70 O ATOM 0 H ASP A 96 -2.572 -9.678 2.581 1.00 0.77 H new ATOM 0 HA ASP A 96 -1.125 -8.052 4.369 1.00 0.74 H new ATOM 0 HB2 ASP A 96 -1.960 -9.789 5.981 1.00 0.93 H new ATOM 0 HB3 ASP A 96 -1.101 -10.993 5.040 1.00 0.93 H new ATOM 52 N PRO A 97 -0.199 -8.407 1.955 1.00 0.52 N ATOM 53 CA PRO A 97 0.587 -8.419 0.715 1.00 0.55 C ATOM 54 C PRO A 97 1.982 -7.817 0.874 1.00 0.53 C ATOM 55 O PRO A 97 2.977 -8.388 0.442 1.00 0.75 O ATOM 56 CB PRO A 97 -0.210 -7.511 -0.236 1.00 0.58 C ATOM 57 CG PRO A 97 -0.953 -6.543 0.688 1.00 0.54 C ATOM 58 CD PRO A 97 -1.124 -7.305 1.968 1.00 0.62 C ATOM 0 HA PRO A 97 0.732 -9.444 0.374 1.00 0.55 H new ATOM 0 HB2 PRO A 97 0.449 -6.978 -0.921 1.00 0.58 H new ATOM 0 HB3 PRO A 97 -0.904 -8.088 -0.846 1.00 0.58 H new ATOM 0 HG2 PRO A 97 -0.383 -5.627 0.844 1.00 0.54 H new ATOM 0 HG3 PRO A 97 -1.916 -6.252 0.267 1.00 0.54 H new ATOM 0 HD2 PRO A 97 -0.935 -6.658 2.825 1.00 0.62 H new ATOM 0 HD3 PRO A 97 -2.148 -7.667 2.062 1.00 0.62 H new ATOM 66 N ILE A 98 1.996 -6.609 1.427 1.00 0.48 N ATOM 67 CA ILE A 98 3.091 -5.688 1.661 1.00 0.49 C ATOM 68 C ILE A 98 2.821 -5.104 3.037 1.00 0.47 C ATOM 69 O ILE A 98 1.674 -4.812 3.379 1.00 0.46 O ATOM 70 CB ILE A 98 3.101 -4.523 0.647 1.00 0.52 C ATOM 71 CG1 ILE A 98 2.706 -4.856 -0.821 1.00 0.54 C ATOM 72 CG2 ILE A 98 4.443 -3.786 0.822 1.00 0.55 C ATOM 73 CD1 ILE A 98 3.811 -4.865 -1.861 1.00 0.58 C ATOM 0 H ILE A 98 1.122 -6.205 1.764 1.00 0.48 H new ATOM 0 HA ILE A 98 4.045 -6.207 1.570 1.00 0.49 H new ATOM 0 HB ILE A 98 2.271 -3.857 0.882 1.00 0.52 H new ATOM 0 HG12 ILE A 98 2.231 -5.837 -0.827 1.00 0.54 H new ATOM 0 HG13 ILE A 98 1.952 -4.135 -1.138 1.00 0.54 H new ATOM 0 HG21 ILE A 98 4.494 -2.952 0.122 1.00 0.55 H new ATOM 0 HG22 ILE A 98 4.521 -3.410 1.842 1.00 0.55 H new ATOM 0 HG23 ILE A 98 5.265 -4.475 0.626 1.00 0.55 H new ATOM 0 HD11 ILE A 98 3.391 -5.112 -2.836 1.00 0.58 H new ATOM 0 HD12 ILE A 98 4.277 -3.881 -1.905 1.00 0.58 H new ATOM 0 HD13 ILE A 98 4.560 -5.609 -1.590 1.00 0.58 H new ATOM 85 N ILE A 99 3.888 -4.882 3.784 1.00 0.49 N ATOM 86 CA ILE A 99 3.815 -4.397 5.156 1.00 0.49 C ATOM 87 C ILE A 99 4.150 -2.920 5.224 1.00 0.48 C ATOM 88 O ILE A 99 5.107 -2.459 4.610 1.00 0.61 O ATOM 89 CB ILE A 99 4.728 -5.243 6.068 1.00 0.66 C ATOM 90 CG1 ILE A 99 4.202 -6.693 6.156 1.00 0.77 C ATOM 91 CG2 ILE A 99 4.902 -4.630 7.471 1.00 0.72 C ATOM 92 CD1 ILE A 99 3.034 -6.902 7.129 1.00 0.80 C ATOM 0 H ILE A 99 4.841 -5.034 3.454 1.00 0.49 H new ATOM 0 HA ILE A 99 2.793 -4.507 5.518 1.00 0.49 H new ATOM 0 HB ILE A 99 5.718 -5.252 5.613 1.00 0.66 H new ATOM 0 HG12 ILE A 99 3.888 -7.010 5.162 1.00 0.77 H new ATOM 0 HG13 ILE A 99 5.024 -7.344 6.454 1.00 0.77 H new ATOM 0 HG21 ILE A 99 5.554 -5.268 8.068 1.00 0.72 H new ATOM 0 HG22 ILE A 99 5.346 -3.639 7.382 1.00 0.72 H new ATOM 0 HG23 ILE A 99 3.929 -4.550 7.956 1.00 0.72 H new ATOM 0 HD11 ILE A 99 2.736 -7.950 7.120 1.00 0.80 H new ATOM 0 HD12 ILE A 99 3.344 -6.621 8.136 1.00 0.80 H new ATOM 0 HD13 ILE A 99 2.191 -6.283 6.823 1.00 0.80 H new ATOM 104 N ILE A 100 3.376 -2.208 6.036 1.00 0.40 N ATOM 105 CA ILE A 100 3.577 -0.825 6.452 1.00 0.45 C ATOM 106 C ILE A 100 3.694 -0.817 7.964 1.00 0.43 C ATOM 107 O ILE A 100 2.700 -1.034 8.657 1.00 0.45 O ATOM 108 CB ILE A 100 2.376 0.003 5.963 1.00 0.47 C ATOM 109 CG1 ILE A 100 2.316 -0.055 4.410 1.00 0.49 C ATOM 110 CG2 ILE A 100 2.418 1.460 6.466 1.00 0.67 C ATOM 111 CD1 ILE A 100 3.590 0.456 3.715 1.00 0.64 C ATOM 0 H ILE A 100 2.534 -2.610 6.449 1.00 0.40 H new ATOM 0 HA ILE A 100 4.482 -0.389 6.028 1.00 0.45 H new ATOM 0 HB ILE A 100 1.469 -0.433 6.381 1.00 0.47 H new ATOM 0 HG12 ILE A 100 2.134 -1.085 4.102 1.00 0.49 H new ATOM 0 HG13 ILE A 100 1.466 0.535 4.067 1.00 0.49 H new ATOM 0 HG21 ILE A 100 1.548 1.999 6.092 1.00 0.67 H new ATOM 0 HG22 ILE A 100 2.409 1.469 7.556 1.00 0.67 H new ATOM 0 HG23 ILE A 100 3.326 1.943 6.106 1.00 0.67 H new ATOM 0 HD11 ILE A 100 3.469 0.383 2.634 1.00 0.64 H new ATOM 0 HD12 ILE A 100 3.763 1.496 3.991 1.00 0.64 H new ATOM 0 HD13 ILE A 100 4.442 -0.149 4.026 1.00 0.64 H new ATOM 123 N GLU A 101 4.917 -0.602 8.443 1.00 0.55 N ATOM 124 CA GLU A 101 5.252 -0.676 9.864 1.00 0.60 C ATOM 125 C GLU A 101 4.814 0.595 10.594 1.00 0.67 C ATOM 126 O GLU A 101 4.998 1.708 10.095 1.00 0.85 O ATOM 127 CB GLU A 101 6.746 -0.979 10.078 1.00 0.74 C ATOM 128 CG GLU A 101 6.963 -1.571 11.472 1.00 1.00 C ATOM 129 CD GLU A 101 8.427 -1.697 11.881 1.00 1.81 C ATOM 130 OE1 GLU A 101 9.232 -2.080 11.007 1.00 2.20 O ATOM 131 OE2 GLU A 101 8.710 -1.460 13.079 1.00 3.22 O ATOM 0 H GLU A 101 5.713 -0.369 7.849 1.00 0.55 H new ATOM 0 HA GLU A 101 4.698 -1.509 10.297 1.00 0.60 H new ATOM 0 HB2 GLU A 101 7.097 -1.677 9.318 1.00 0.74 H new ATOM 0 HB3 GLU A 101 7.331 -0.066 9.966 1.00 0.74 H new ATOM 0 HG2 GLU A 101 6.446 -0.948 12.202 1.00 1.00 H new ATOM 0 HG3 GLU A 101 6.501 -2.558 11.511 1.00 1.00 H new ATOM 138 N SER A 102 4.179 0.439 11.754 1.00 0.72 N ATOM 139 CA SER A 102 3.409 1.522 12.347 1.00 0.85 C ATOM 140 C SER A 102 3.125 1.313 13.832 1.00 1.22 C ATOM 141 O SER A 102 2.253 0.530 14.183 1.00 2.71 O ATOM 142 CB SER A 102 2.107 1.598 11.544 1.00 0.88 C ATOM 143 OG SER A 102 1.397 2.756 11.872 1.00 1.71 O ATOM 0 H SER A 102 4.184 -0.424 12.297 1.00 0.72 H new ATOM 0 HA SER A 102 3.976 2.452 12.301 1.00 0.85 H new ATOM 0 HB2 SER A 102 2.330 1.591 10.477 1.00 0.88 H new ATOM 0 HB3 SER A 102 1.495 0.719 11.748 1.00 0.88 H new ATOM 0 HG SER A 102 0.508 2.512 12.203 1.00 1.71 H new ATOM 149 N TYR A 103 3.776 2.054 14.735 1.00 0.90 N ATOM 150 CA TYR A 103 3.425 2.042 16.173 1.00 0.83 C ATOM 151 C TYR A 103 2.158 2.884 16.434 1.00 0.83 C ATOM 152 O TYR A 103 2.062 3.654 17.383 1.00 1.14 O ATOM 153 CB TYR A 103 4.652 2.417 17.026 1.00 1.05 C ATOM 154 CG TYR A 103 5.925 1.622 16.741 1.00 1.12 C ATOM 155 CD1 TYR A 103 5.874 0.371 16.093 1.00 1.86 C ATOM 156 CD2 TYR A 103 7.181 2.176 17.055 1.00 2.39 C ATOM 157 CE1 TYR A 103 7.044 -0.232 15.607 1.00 1.94 C ATOM 158 CE2 TYR A 103 8.366 1.543 16.629 1.00 2.51 C ATOM 159 CZ TYR A 103 8.300 0.364 15.850 1.00 1.45 C ATOM 160 OH TYR A 103 9.432 -0.165 15.310 1.00 1.77 O ATOM 0 H TYR A 103 4.552 2.674 14.502 1.00 0.90 H new ATOM 0 HA TYR A 103 3.156 1.034 16.488 1.00 0.83 H new ATOM 0 HB2 TYR A 103 4.866 3.475 16.877 1.00 1.05 H new ATOM 0 HB3 TYR A 103 4.394 2.289 18.077 1.00 1.05 H new ATOM 0 HD1 TYR A 103 4.924 -0.128 15.969 1.00 1.86 H new ATOM 0 HD2 TYR A 103 7.237 3.091 17.626 1.00 2.39 H new ATOM 0 HE1 TYR A 103 6.983 -1.153 15.046 1.00 1.94 H new ATOM 0 HE2 TYR A 103 9.326 1.959 16.898 1.00 2.51 H new ATOM 0 HH TYR A 103 9.192 -0.797 14.601 1.00 1.77 H new ATOM 170 N ASP A 104 1.210 2.716 15.517 1.00 0.78 N ATOM 171 CA ASP A 104 0.017 3.521 15.272 1.00 0.83 C ATOM 172 C ASP A 104 -0.995 2.649 14.487 1.00 1.01 C ATOM 173 O ASP A 104 -0.656 2.145 13.415 1.00 2.15 O ATOM 174 CB ASP A 104 0.345 4.806 14.458 1.00 1.06 C ATOM 175 CG ASP A 104 1.777 5.394 14.469 1.00 1.82 C ATOM 176 OD1 ASP A 104 2.636 4.925 13.674 1.00 3.17 O ATOM 177 OD2 ASP A 104 1.971 6.437 15.134 1.00 1.99 O ATOM 0 H ASP A 104 1.263 1.936 14.862 1.00 0.78 H new ATOM 0 HA ASP A 104 -0.399 3.841 16.228 1.00 0.83 H new ATOM 0 HB2 ASP A 104 0.087 4.604 13.418 1.00 1.06 H new ATOM 0 HB3 ASP A 104 -0.328 5.589 14.807 1.00 1.06 H new ATOM 182 N ASP A 105 -2.225 2.456 14.973 1.00 0.73 N ATOM 183 CA ASP A 105 -3.162 1.431 14.465 1.00 0.65 C ATOM 184 C ASP A 105 -3.822 1.746 13.097 1.00 0.74 C ATOM 185 O ASP A 105 -4.577 0.923 12.588 1.00 1.08 O ATOM 186 CB ASP A 105 -4.272 1.150 15.502 1.00 0.77 C ATOM 187 CG ASP A 105 -3.832 1.081 16.970 1.00 1.95 C ATOM 188 OD1 ASP A 105 -3.484 2.155 17.524 1.00 3.34 O ATOM 189 OD2 ASP A 105 -3.922 -0.029 17.542 1.00 2.58 O ATOM 0 H ASP A 105 -2.609 3.010 15.739 1.00 0.73 H new ATOM 0 HA ASP A 105 -2.535 0.554 14.302 1.00 0.65 H new ATOM 0 HB2 ASP A 105 -5.031 1.927 15.409 1.00 0.77 H new ATOM 0 HB3 ASP A 105 -4.750 0.205 15.244 1.00 0.77 H new ATOM 194 N TYR A 106 -3.585 2.916 12.493 1.00 0.73 N ATOM 195 CA TYR A 106 -4.477 3.557 11.487 1.00 1.02 C ATOM 196 C TYR A 106 -3.719 4.395 10.429 1.00 1.26 C ATOM 197 O TYR A 106 -4.246 5.351 9.853 1.00 2.00 O ATOM 198 CB TYR A 106 -5.563 4.383 12.232 1.00 1.11 C ATOM 199 CG TYR A 106 -5.139 4.890 13.602 1.00 0.86 C ATOM 200 CD1 TYR A 106 -4.035 5.759 13.732 1.00 1.75 C ATOM 201 CD2 TYR A 106 -5.716 4.309 14.746 1.00 2.06 C ATOM 202 CE1 TYR A 106 -3.437 5.944 14.995 1.00 2.02 C ATOM 203 CE2 TYR A 106 -5.107 4.473 16.001 1.00 2.11 C ATOM 204 CZ TYR A 106 -3.935 5.245 16.118 1.00 1.42 C ATOM 205 OH TYR A 106 -3.245 5.238 17.288 1.00 2.02 O ATOM 0 H TYR A 106 -2.749 3.467 12.687 1.00 0.73 H new ATOM 0 HA TYR A 106 -4.956 2.768 10.908 1.00 1.02 H new ATOM 0 HB2 TYR A 106 -5.841 5.236 11.613 1.00 1.11 H new ATOM 0 HB3 TYR A 106 -6.455 3.767 12.346 1.00 1.11 H new ATOM 0 HD1 TYR A 106 -3.650 6.280 12.868 1.00 1.75 H new ATOM 0 HD2 TYR A 106 -6.628 3.737 14.659 1.00 2.06 H new ATOM 0 HE1 TYR A 106 -2.600 6.618 15.104 1.00 2.02 H new ATOM 0 HE2 TYR A 106 -5.537 4.007 16.875 1.00 2.11 H new ATOM 0 HH TYR A 106 -3.179 4.320 17.624 1.00 2.02 H new ATOM 215 N ARG A 107 -2.428 4.123 10.232 1.00 1.04 N ATOM 216 CA ARG A 107 -1.457 5.095 9.708 1.00 0.95 C ATOM 217 C ARG A 107 -1.260 5.059 8.184 1.00 0.83 C ATOM 218 O ARG A 107 -1.445 4.051 7.507 1.00 1.35 O ATOM 219 CB ARG A 107 -0.147 4.846 10.455 1.00 1.09 C ATOM 220 CG ARG A 107 0.694 6.070 10.859 1.00 1.40 C ATOM 221 CD ARG A 107 1.688 6.622 9.832 1.00 2.15 C ATOM 222 NE ARG A 107 2.431 5.580 9.106 1.00 3.30 N ATOM 223 CZ ARG A 107 3.299 4.702 9.599 1.00 4.04 C ATOM 224 NH1 ARG A 107 3.676 4.647 10.863 1.00 3.81 N ATOM 225 NH2 ARG A 107 3.803 3.818 8.769 1.00 5.98 N ATOM 0 H ARG A 107 -2.018 3.211 10.433 1.00 1.04 H new ATOM 0 HA ARG A 107 -1.842 6.100 9.882 1.00 0.95 H new ATOM 0 HB2 ARG A 107 -0.379 4.286 11.361 1.00 1.09 H new ATOM 0 HB3 ARG A 107 0.476 4.203 9.833 1.00 1.09 H new ATOM 0 HG2 ARG A 107 0.009 6.874 11.128 1.00 1.40 H new ATOM 0 HG3 ARG A 107 1.251 5.812 11.760 1.00 1.40 H new ATOM 0 HD2 ARG A 107 1.149 7.238 9.113 1.00 2.15 H new ATOM 0 HD3 ARG A 107 2.398 7.274 10.341 1.00 2.15 H new ATOM 0 HE ARG A 107 2.259 5.525 8.102 1.00 3.30 H new ATOM 0 HH11 ARG A 107 3.295 5.310 11.538 1.00 3.81 H new ATOM 0 HH12 ARG A 107 4.348 3.942 11.164 1.00 3.81 H new ATOM 0 HH21 ARG A 107 3.525 3.823 7.788 1.00 5.98 H new ATOM 0 HH22 ARG A 107 4.473 3.126 9.106 1.00 5.98 H new ATOM 239 N TYR A 108 -0.847 6.200 7.622 1.00 0.64 N ATOM 240 CA TYR A 108 -0.656 6.351 6.172 1.00 0.50 C ATOM 241 C TYR A 108 0.562 5.579 5.605 1.00 0.50 C ATOM 242 O TYR A 108 1.491 5.228 6.337 1.00 0.70 O ATOM 243 CB TYR A 108 -0.648 7.843 5.759 1.00 0.63 C ATOM 244 CG TYR A 108 0.738 8.399 5.490 1.00 0.68 C ATOM 245 CD1 TYR A 108 1.526 8.816 6.577 1.00 1.88 C ATOM 246 CD2 TYR A 108 1.278 8.377 4.184 1.00 1.82 C ATOM 247 CE1 TYR A 108 2.874 9.166 6.387 1.00 1.92 C ATOM 248 CE2 TYR A 108 2.634 8.718 3.995 1.00 2.07 C ATOM 249 CZ TYR A 108 3.435 9.099 5.094 1.00 1.28 C ATOM 250 OH TYR A 108 4.754 9.385 4.913 1.00 1.69 O ATOM 0 H TYR A 108 -0.636 7.043 8.156 1.00 0.64 H new ATOM 0 HA TYR A 108 -1.521 5.876 5.709 1.00 0.50 H new ATOM 0 HB2 TYR A 108 -1.258 7.965 4.864 1.00 0.63 H new ATOM 0 HB3 TYR A 108 -1.118 8.431 6.548 1.00 0.63 H new ATOM 0 HD1 TYR A 108 1.093 8.868 7.565 1.00 1.88 H new ATOM 0 HD2 TYR A 108 0.661 8.103 3.341 1.00 1.82 H new ATOM 0 HE1 TYR A 108 3.476 9.484 7.225 1.00 1.92 H new ATOM 0 HE2 TYR A 108 3.062 8.687 3.004 1.00 2.07 H new ATOM 0 HH TYR A 108 4.982 9.291 3.965 1.00 1.69 H new ATOM 260 N VAL A 109 0.545 5.368 4.288 1.00 0.46 N ATOM 261 CA VAL A 109 1.631 4.830 3.454 1.00 0.48 C ATOM 262 C VAL A 109 1.859 5.739 2.252 1.00 0.48 C ATOM 263 O VAL A 109 0.895 6.270 1.710 1.00 0.51 O ATOM 264 CB VAL A 109 1.293 3.416 2.936 1.00 0.58 C ATOM 265 CG1 VAL A 109 -0.102 3.283 2.333 1.00 0.83 C ATOM 266 CG2 VAL A 109 2.292 2.901 1.893 1.00 0.79 C ATOM 0 H VAL A 109 -0.284 5.582 3.733 1.00 0.46 H new ATOM 0 HA VAL A 109 2.527 4.779 4.072 1.00 0.48 H new ATOM 0 HB VAL A 109 1.347 2.812 3.842 1.00 0.58 H new ATOM 0 HG11 VAL A 109 -0.256 2.258 1.995 1.00 0.83 H new ATOM 0 HG12 VAL A 109 -0.849 3.533 3.086 1.00 0.83 H new ATOM 0 HG13 VAL A 109 -0.199 3.963 1.487 1.00 0.83 H new ATOM 0 HG21 VAL A 109 1.998 1.903 1.569 1.00 0.79 H new ATOM 0 HG22 VAL A 109 2.301 3.573 1.035 1.00 0.79 H new ATOM 0 HG23 VAL A 109 3.289 2.861 2.332 1.00 0.79 H new ATOM 276 N GLY A 110 3.112 5.859 1.813 1.00 0.55 N ATOM 277 CA GLY A 110 3.476 6.410 0.506 1.00 0.65 C ATOM 278 C GLY A 110 4.304 5.421 -0.310 1.00 0.51 C ATOM 279 O GLY A 110 5.346 4.967 0.157 1.00 0.77 O ATOM 0 H GLY A 110 3.919 5.570 2.366 1.00 0.55 H new ATOM 0 HA2 GLY A 110 2.572 6.670 -0.045 1.00 0.65 H new ATOM 0 HA3 GLY A 110 4.041 7.332 0.644 1.00 0.65 H new ATOM 283 N CYS A 111 3.858 5.148 -1.541 1.00 0.48 N ATOM 284 CA CYS A 111 4.575 4.407 -2.579 1.00 0.55 C ATOM 285 C CYS A 111 4.777 5.253 -3.858 1.00 0.56 C ATOM 286 O CYS A 111 3.953 6.107 -4.214 1.00 0.53 O ATOM 287 CB CYS A 111 3.761 3.124 -2.827 1.00 0.67 C ATOM 288 SG CYS A 111 3.677 2.390 -4.508 1.00 1.52 S ATOM 0 H CYS A 111 2.937 5.456 -1.855 1.00 0.48 H new ATOM 0 HA CYS A 111 5.587 4.156 -2.262 1.00 0.55 H new ATOM 0 HB2 CYS A 111 4.155 2.358 -2.160 1.00 0.67 H new ATOM 0 HB3 CYS A 111 2.737 3.325 -2.511 1.00 0.67 H new ATOM 0 HG CYS A 111 2.510 1.845 -4.686 1.00 1.52 H new ATOM 293 N THR A 112 5.856 4.939 -4.589 1.00 0.67 N ATOM 294 CA THR A 112 6.158 5.473 -5.933 1.00 0.71 C ATOM 295 C THR A 112 6.210 4.396 -7.016 1.00 0.77 C ATOM 296 O THR A 112 6.902 4.543 -8.018 1.00 0.89 O ATOM 297 CB THR A 112 7.447 6.302 -5.953 1.00 0.85 C ATOM 298 OG1 THR A 112 8.487 5.546 -5.378 1.00 0.98 O ATOM 299 CG2 THR A 112 7.262 7.594 -5.176 1.00 0.87 C ATOM 0 H THR A 112 6.566 4.287 -4.255 1.00 0.67 H new ATOM 0 HA THR A 112 5.320 6.129 -6.168 1.00 0.71 H new ATOM 0 HB THR A 112 7.695 6.553 -6.984 1.00 0.85 H new ATOM 0 HG1 THR A 112 9.316 6.069 -5.389 1.00 0.98 H new ATOM 0 HG21 THR A 112 8.187 8.169 -5.201 1.00 0.87 H new ATOM 0 HG22 THR A 112 6.459 8.178 -5.627 1.00 0.87 H new ATOM 0 HG23 THR A 112 7.006 7.363 -4.142 1.00 0.87 H new ATOM 307 N GLY A 113 5.511 3.281 -6.828 1.00 0.80 N ATOM 308 CA GLY A 113 5.525 2.150 -7.755 1.00 0.90 C ATOM 309 C GLY A 113 6.536 1.112 -7.328 1.00 1.24 C ATOM 310 O GLY A 113 7.547 0.937 -8.003 1.00 2.49 O ATOM 0 H GLY A 113 4.910 3.134 -6.017 1.00 0.80 H new ATOM 0 HA2 GLY A 113 4.533 1.700 -7.800 1.00 0.90 H new ATOM 0 HA3 GLY A 113 5.761 2.501 -8.759 1.00 0.90 H new ATOM 314 N SER A 114 6.264 0.445 -6.202 1.00 1.07 N ATOM 315 CA SER A 114 7.176 -0.545 -5.602 1.00 1.42 C ATOM 316 C SER A 114 8.438 0.169 -5.033 1.00 1.44 C ATOM 317 O SER A 114 8.554 1.391 -5.187 1.00 1.52 O ATOM 318 CB SER A 114 7.479 -1.617 -6.673 1.00 1.88 C ATOM 319 OG SER A 114 7.485 -2.937 -6.158 1.00 3.08 O ATOM 0 H SER A 114 5.400 0.575 -5.675 1.00 1.07 H new ATOM 0 HA SER A 114 6.726 -1.052 -4.748 1.00 1.42 H new ATOM 0 HB2 SER A 114 6.736 -1.548 -7.467 1.00 1.88 H new ATOM 0 HB3 SER A 114 8.448 -1.406 -7.124 1.00 1.88 H new ATOM 0 HG SER A 114 7.680 -3.569 -6.881 1.00 3.08 H new ATOM 325 N PRO A 115 9.413 -0.510 -4.387 1.00 1.70 N ATOM 326 CA PRO A 115 10.588 0.144 -3.795 1.00 1.91 C ATOM 327 C PRO A 115 11.664 0.492 -4.840 1.00 1.79 C ATOM 328 O PRO A 115 12.858 0.314 -4.611 1.00 2.35 O ATOM 329 CB PRO A 115 11.082 -0.834 -2.731 1.00 2.57 C ATOM 330 CG PRO A 115 10.731 -2.200 -3.307 1.00 2.65 C ATOM 331 CD PRO A 115 9.455 -1.938 -4.100 1.00 2.08 C ATOM 0 HA PRO A 115 10.337 1.112 -3.361 1.00 1.91 H new ATOM 0 HB2 PRO A 115 12.154 -0.734 -2.562 1.00 2.57 H new ATOM 0 HB3 PRO A 115 10.591 -0.665 -1.773 1.00 2.57 H new ATOM 0 HG2 PRO A 115 11.528 -2.583 -3.945 1.00 2.65 H new ATOM 0 HG3 PRO A 115 10.570 -2.937 -2.521 1.00 2.65 H new ATOM 0 HD2 PRO A 115 9.450 -2.517 -5.024 1.00 2.08 H new ATOM 0 HD3 PRO A 115 8.578 -2.242 -3.529 1.00 2.08 H new ATOM 339 N ALA A 116 11.234 0.938 -6.022 1.00 1.56 N ATOM 340 CA ALA A 116 12.070 1.018 -7.221 1.00 1.64 C ATOM 341 C ALA A 116 11.683 2.110 -8.239 1.00 1.48 C ATOM 342 O ALA A 116 12.333 2.224 -9.274 1.00 2.12 O ATOM 343 CB ALA A 116 12.098 -0.389 -7.829 1.00 2.12 C ATOM 0 H ALA A 116 10.278 1.259 -6.175 1.00 1.56 H new ATOM 0 HA ALA A 116 13.067 1.346 -6.926 1.00 1.64 H new ATOM 0 HB1 ALA A 116 12.711 -0.384 -8.730 1.00 2.12 H new ATOM 0 HB2 ALA A 116 12.519 -1.089 -7.107 1.00 2.12 H new ATOM 0 HB3 ALA A 116 11.083 -0.696 -8.082 1.00 2.12 H new ATOM 349 N GLY A 117 10.673 2.929 -7.924 1.00 1.04 N ATOM 350 CA GLY A 117 10.347 4.177 -8.637 1.00 1.09 C ATOM 351 C GLY A 117 9.729 3.966 -10.020 1.00 1.19 C ATOM 352 O GLY A 117 10.376 4.224 -11.028 1.00 1.86 O ATOM 0 H GLY A 117 10.041 2.740 -7.146 1.00 1.04 H new ATOM 0 HA2 GLY A 117 9.656 4.760 -8.028 1.00 1.09 H new ATOM 0 HA3 GLY A 117 11.256 4.769 -8.744 1.00 1.09 H new ATOM 356 N SER A 118 8.475 3.518 -10.081 1.00 0.79 N ATOM 357 CA SER A 118 7.819 3.177 -11.355 1.00 0.86 C ATOM 358 C SER A 118 6.813 4.204 -11.867 1.00 0.86 C ATOM 359 O SER A 118 6.580 4.259 -13.072 1.00 0.97 O ATOM 360 CB SER A 118 7.031 1.879 -11.207 1.00 0.87 C ATOM 361 OG SER A 118 6.832 1.270 -12.470 1.00 2.09 O ATOM 0 H SER A 118 7.885 3.380 -9.260 1.00 0.79 H new ATOM 0 HA SER A 118 8.645 3.116 -12.064 1.00 0.86 H new ATOM 0 HB2 SER A 118 7.566 1.195 -10.548 1.00 0.87 H new ATOM 0 HB3 SER A 118 6.068 2.083 -10.740 1.00 0.87 H new ATOM 0 HG SER A 118 6.326 0.438 -12.356 1.00 2.09 H new ATOM 367 N HIS A 119 6.149 4.932 -10.968 1.00 0.79 N ATOM 368 CA HIS A 119 5.103 5.898 -11.318 1.00 0.74 C ATOM 369 C HIS A 119 5.355 7.283 -10.679 1.00 0.73 C ATOM 370 O HIS A 119 6.510 7.684 -10.520 1.00 1.33 O ATOM 371 CB HIS A 119 3.756 5.218 -11.019 1.00 0.73 C ATOM 372 CG HIS A 119 3.424 4.965 -9.564 1.00 0.64 C ATOM 373 ND1 HIS A 119 3.253 5.889 -8.591 1.00 0.69 N ATOM 374 CD2 HIS A 119 3.062 3.759 -9.060 1.00 0.59 C ATOM 375 CE1 HIS A 119 2.818 5.308 -7.480 1.00 0.62 C ATOM 376 NE2 HIS A 119 2.684 3.994 -7.727 1.00 0.58 N ATOM 0 H HIS A 119 6.323 4.868 -9.965 1.00 0.79 H new ATOM 0 HA HIS A 119 5.102 6.155 -12.377 1.00 0.74 H new ATOM 0 HB2 HIS A 119 2.964 5.833 -11.446 1.00 0.73 H new ATOM 0 HB3 HIS A 119 3.735 4.262 -11.543 1.00 0.73 H new ATOM 0 HD2 HIS A 119 3.064 2.811 -9.578 1.00 0.59 H new ATOM 0 HE1 HIS A 119 2.609 5.803 -6.543 1.00 0.62 H new ATOM 0 HE2 HIS A 119 2.364 3.290 -7.063 1.00 0.58 H new ATOM 384 N THR A 120 4.301 8.040 -10.335 1.00 0.74 N ATOM 385 CA THR A 120 4.413 9.242 -9.480 1.00 0.78 C ATOM 386 C THR A 120 4.548 8.865 -8.002 1.00 0.73 C ATOM 387 O THR A 120 5.003 7.778 -7.690 1.00 0.70 O ATOM 388 CB THR A 120 3.250 10.171 -9.814 1.00 0.87 C ATOM 389 OG1 THR A 120 3.564 11.448 -9.323 1.00 0.99 O ATOM 390 CG2 THR A 120 1.921 9.713 -9.227 1.00 0.80 C ATOM 0 H THR A 120 3.348 7.840 -10.639 1.00 0.74 H new ATOM 0 HA THR A 120 5.331 9.793 -9.686 1.00 0.78 H new ATOM 0 HB THR A 120 3.121 10.171 -10.896 1.00 0.87 H new ATOM 0 HG1 THR A 120 2.831 12.066 -9.527 1.00 0.99 H new ATOM 0 HG21 THR A 120 1.138 10.419 -9.504 1.00 0.80 H new ATOM 0 HG22 THR A 120 1.672 8.726 -9.616 1.00 0.80 H new ATOM 0 HG23 THR A 120 2.000 9.666 -8.141 1.00 0.80 H new ATOM 398 N ILE A 121 4.117 9.715 -7.084 1.00 0.79 N ATOM 399 CA ILE A 121 3.864 9.449 -5.668 1.00 0.79 C ATOM 400 C ILE A 121 2.352 9.405 -5.398 1.00 0.80 C ATOM 401 O ILE A 121 1.567 10.083 -6.053 1.00 1.05 O ATOM 402 CB ILE A 121 4.588 10.530 -4.844 1.00 1.02 C ATOM 403 CG1 ILE A 121 4.520 10.283 -3.328 1.00 0.99 C ATOM 404 CG2 ILE A 121 4.010 11.922 -5.083 1.00 1.22 C ATOM 405 CD1 ILE A 121 5.500 9.236 -2.848 1.00 1.05 C ATOM 0 H ILE A 121 3.918 10.686 -7.324 1.00 0.79 H new ATOM 0 HA ILE A 121 4.253 8.474 -5.375 1.00 0.79 H new ATOM 0 HB ILE A 121 5.622 10.473 -5.185 1.00 1.02 H new ATOM 0 HG12 ILE A 121 4.714 11.219 -2.805 1.00 0.99 H new ATOM 0 HG13 ILE A 121 3.509 9.974 -3.062 1.00 0.99 H new ATOM 0 HG21 ILE A 121 4.553 12.650 -4.480 1.00 1.22 H new ATOM 0 HG22 ILE A 121 4.107 12.180 -6.138 1.00 1.22 H new ATOM 0 HG23 ILE A 121 2.957 11.932 -4.802 1.00 1.22 H new ATOM 0 HD11 ILE A 121 5.400 9.111 -1.770 1.00 1.05 H new ATOM 0 HD12 ILE A 121 5.292 8.288 -3.344 1.00 1.05 H new ATOM 0 HD13 ILE A 121 6.516 9.553 -3.083 1.00 1.05 H new ATOM 417 N MET A 122 1.937 8.619 -4.414 1.00 0.68 N ATOM 418 CA MET A 122 0.569 8.590 -3.886 1.00 0.72 C ATOM 419 C MET A 122 0.598 8.447 -2.357 1.00 0.71 C ATOM 420 O MET A 122 1.659 8.188 -1.789 1.00 0.94 O ATOM 421 CB MET A 122 -0.224 7.473 -4.602 1.00 0.82 C ATOM 422 CG MET A 122 0.451 6.096 -4.529 1.00 1.34 C ATOM 423 SD MET A 122 0.500 5.393 -2.854 1.00 3.61 S ATOM 424 CE MET A 122 0.397 3.640 -3.213 1.00 4.93 C ATOM 0 H MET A 122 2.558 7.961 -3.943 1.00 0.68 H new ATOM 0 HA MET A 122 0.052 9.528 -4.089 1.00 0.72 H new ATOM 0 HB2 MET A 122 -1.218 7.405 -4.161 1.00 0.82 H new ATOM 0 HB3 MET A 122 -0.358 7.748 -5.648 1.00 0.82 H new ATOM 0 HG2 MET A 122 -0.078 5.407 -5.187 1.00 1.34 H new ATOM 0 HG3 MET A 122 1.470 6.180 -4.908 1.00 1.34 H new ATOM 0 HE1 MET A 122 0.714 3.070 -2.339 1.00 4.93 H new ATOM 0 HE2 MET A 122 -0.632 3.380 -3.463 1.00 4.93 H new ATOM 0 HE3 MET A 122 1.046 3.402 -4.056 1.00 4.93 H new ATOM 434 N TRP A 123 -0.561 8.561 -1.697 1.00 0.60 N ATOM 435 CA TRP A 123 -0.686 8.324 -0.252 1.00 0.56 C ATOM 436 C TRP A 123 -1.952 7.517 0.079 1.00 0.58 C ATOM 437 O TRP A 123 -3.060 7.942 -0.264 1.00 0.77 O ATOM 438 CB TRP A 123 -0.680 9.649 0.537 1.00 0.59 C ATOM 439 CG TRP A 123 0.233 10.738 0.056 1.00 0.68 C ATOM 440 CD1 TRP A 123 -0.157 11.894 -0.525 1.00 1.02 C ATOM 441 CD2 TRP A 123 1.691 10.806 0.127 1.00 0.79 C ATOM 442 NE1 TRP A 123 0.950 12.668 -0.810 1.00 1.10 N ATOM 443 CE2 TRP A 123 2.118 12.054 -0.414 1.00 0.88 C ATOM 444 CE3 TRP A 123 2.696 9.938 0.598 1.00 1.21 C ATOM 445 CZ2 TRP A 123 3.468 12.432 -0.459 1.00 1.03 C ATOM 446 CZ3 TRP A 123 4.055 10.305 0.565 1.00 1.50 C ATOM 447 CH2 TRP A 123 4.441 11.551 0.041 1.00 1.32 C ATOM 0 H TRP A 123 -1.438 8.820 -2.148 1.00 0.60 H new ATOM 0 HA TRP A 123 0.182 7.738 0.051 1.00 0.56 H new ATOM 0 HB2 TRP A 123 -1.697 10.041 0.543 1.00 0.59 H new ATOM 0 HB3 TRP A 123 -0.419 9.424 1.571 1.00 0.59 H new ATOM 0 HD1 TRP A 123 -1.180 12.170 -0.735 1.00 1.02 H new ATOM 0 HE1 TRP A 123 0.908 13.583 -1.259 1.00 1.10 H new ATOM 0 HE3 TRP A 123 2.418 8.972 0.992 1.00 1.21 H new ATOM 0 HZ2 TRP A 123 3.755 13.387 -0.872 1.00 1.03 H new ATOM 0 HZ3 TRP A 123 4.804 9.626 0.944 1.00 1.50 H new ATOM 0 HH2 TRP A 123 5.484 11.830 0.023 1.00 1.32 H new ATOM 458 N LEU A 124 -1.818 6.384 0.781 1.00 0.47 N ATOM 459 CA LEU A 124 -2.950 5.560 1.238 1.00 0.50 C ATOM 460 C LEU A 124 -2.927 5.477 2.763 1.00 0.55 C ATOM 461 O LEU A 124 -2.018 6.004 3.399 1.00 0.75 O ATOM 462 CB LEU A 124 -2.927 4.137 0.634 1.00 0.58 C ATOM 463 CG LEU A 124 -2.111 3.931 -0.654 1.00 0.58 C ATOM 464 CD1 LEU A 124 -1.940 2.418 -0.858 1.00 0.85 C ATOM 465 CD2 LEU A 124 -2.835 4.566 -1.849 1.00 0.58 C ATOM 0 H LEU A 124 -0.910 6.007 1.052 1.00 0.47 H new ATOM 0 HA LEU A 124 -3.868 6.038 0.896 1.00 0.50 H new ATOM 0 HB2 LEU A 124 -2.540 3.455 1.391 1.00 0.58 H new ATOM 0 HB3 LEU A 124 -3.956 3.839 0.433 1.00 0.58 H new ATOM 0 HG LEU A 124 -1.135 4.410 -0.573 1.00 0.58 H new ATOM 0 HD11 LEU A 124 -1.364 2.236 -1.765 1.00 0.85 H new ATOM 0 HD12 LEU A 124 -1.414 1.993 -0.003 1.00 0.85 H new ATOM 0 HD13 LEU A 124 -2.920 1.950 -0.950 1.00 0.85 H new ATOM 0 HD21 LEU A 124 -2.247 4.413 -2.754 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -3.814 4.102 -1.970 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -2.959 5.635 -1.673 1.00 0.58 H new ATOM 477 N LYS A 125 -3.888 4.770 3.361 1.00 0.59 N ATOM 478 CA LYS A 125 -3.929 4.496 4.806 1.00 0.69 C ATOM 479 C LYS A 125 -4.651 3.165 5.116 1.00 0.50 C ATOM 480 O LYS A 125 -5.873 3.121 5.007 1.00 0.70 O ATOM 481 CB LYS A 125 -4.494 5.704 5.599 1.00 1.20 C ATOM 482 CG LYS A 125 -5.882 6.265 5.218 1.00 1.67 C ATOM 483 CD LYS A 125 -5.878 7.219 4.011 1.00 3.28 C ATOM 484 CE LYS A 125 -7.313 7.645 3.685 1.00 4.40 C ATOM 485 NZ LYS A 125 -7.373 8.489 2.465 1.00 6.51 N ATOM 0 H LYS A 125 -4.673 4.364 2.851 1.00 0.59 H new ATOM 0 HA LYS A 125 -2.904 4.364 5.151 1.00 0.69 H new ATOM 0 HB2 LYS A 125 -4.531 5.419 6.651 1.00 1.20 H new ATOM 0 HB3 LYS A 125 -3.775 6.519 5.515 1.00 1.20 H new ATOM 0 HG2 LYS A 125 -6.550 5.431 5.003 1.00 1.67 H new ATOM 0 HG3 LYS A 125 -6.296 6.791 6.079 1.00 1.67 H new ATOM 0 HD2 LYS A 125 -5.269 8.096 4.230 1.00 3.28 H new ATOM 0 HD3 LYS A 125 -5.429 6.727 3.148 1.00 3.28 H new ATOM 0 HE2 LYS A 125 -7.932 6.759 3.545 1.00 4.40 H new ATOM 0 HE3 LYS A 125 -7.730 8.195 4.529 1.00 4.40 H new ATOM 0 HZ1 LYS A 125 -8.360 8.757 2.277 1.00 6.51 H new ATOM 0 HZ2 LYS A 125 -6.802 9.347 2.608 1.00 6.51 H new ATOM 0 HZ3 LYS A 125 -6.999 7.955 1.655 1.00 6.51 H new ATOM 499 N PRO A 126 -3.922 2.074 5.421 1.00 0.45 N ATOM 500 CA PRO A 126 -4.494 0.876 6.030 1.00 0.78 C ATOM 501 C PRO A 126 -4.661 1.078 7.545 1.00 1.06 C ATOM 502 O PRO A 126 -4.155 2.047 8.114 1.00 2.32 O ATOM 503 CB PRO A 126 -3.501 -0.244 5.701 1.00 1.03 C ATOM 504 CG PRO A 126 -2.166 0.494 5.713 1.00 0.86 C ATOM 505 CD PRO A 126 -2.511 1.853 5.116 1.00 0.65 C ATOM 0 HA PRO A 126 -5.489 0.640 5.652 1.00 0.78 H new ATOM 0 HB2 PRO A 126 -3.530 -1.044 6.441 1.00 1.03 H new ATOM 0 HB3 PRO A 126 -3.706 -0.698 4.732 1.00 1.03 H new ATOM 0 HG2 PRO A 126 -1.767 0.588 6.723 1.00 0.86 H new ATOM 0 HG3 PRO A 126 -1.413 -0.026 5.120 1.00 0.86 H new ATOM 0 HD2 PRO A 126 -1.890 2.638 5.547 1.00 0.65 H new ATOM 0 HD3 PRO A 126 -2.337 1.863 4.040 1.00 0.65 H new ATOM 513 N THR A 127 -5.334 0.120 8.187 1.00 0.71 N ATOM 514 CA THR A 127 -5.572 0.017 9.641 1.00 0.67 C ATOM 515 C THR A 127 -5.015 -1.323 10.106 1.00 0.54 C ATOM 516 O THR A 127 -4.995 -2.257 9.314 1.00 0.51 O ATOM 517 CB THR A 127 -7.078 0.025 9.952 1.00 0.90 C ATOM 518 OG1 THR A 127 -7.781 0.932 9.140 1.00 1.19 O ATOM 519 CG2 THR A 127 -7.448 0.339 11.398 1.00 0.98 C ATOM 0 H THR A 127 -5.757 -0.657 7.679 1.00 0.71 H new ATOM 0 HA THR A 127 -5.097 0.861 10.141 1.00 0.67 H new ATOM 0 HB THR A 127 -7.366 -1.006 9.747 1.00 0.90 H new ATOM 0 HG1 THR A 127 -8.740 0.869 9.333 1.00 1.19 H new ATOM 0 HG21 THR A 127 -8.532 0.319 11.509 1.00 0.98 H new ATOM 0 HG22 THR A 127 -7.002 -0.405 12.058 1.00 0.98 H new ATOM 0 HG23 THR A 127 -7.074 1.328 11.663 1.00 0.98 H new ATOM 527 N VAL A 128 -4.653 -1.502 11.373 1.00 0.58 N ATOM 528 CA VAL A 128 -4.196 -2.807 11.904 1.00 0.56 C ATOM 529 C VAL A 128 -5.217 -3.933 11.658 1.00 0.59 C ATOM 530 O VAL A 128 -4.846 -5.087 11.439 1.00 0.68 O ATOM 531 CB VAL A 128 -3.831 -2.731 13.401 1.00 0.70 C ATOM 532 CG1 VAL A 128 -5.061 -2.375 14.235 1.00 0.84 C ATOM 533 CG2 VAL A 128 -3.188 -4.036 13.916 1.00 0.80 C ATOM 0 H VAL A 128 -4.664 -0.756 12.069 1.00 0.58 H new ATOM 0 HA VAL A 128 -3.291 -3.052 11.348 1.00 0.56 H new ATOM 0 HB VAL A 128 -3.086 -1.942 13.509 1.00 0.70 H new ATOM 0 HG11 VAL A 128 -4.785 -2.326 15.288 1.00 0.84 H new ATOM 0 HG12 VAL A 128 -5.449 -1.408 13.916 1.00 0.84 H new ATOM 0 HG13 VAL A 128 -5.828 -3.137 14.096 1.00 0.84 H new ATOM 0 HG21 VAL A 128 -2.950 -3.931 14.974 1.00 0.80 H new ATOM 0 HG22 VAL A 128 -3.885 -4.863 13.781 1.00 0.80 H new ATOM 0 HG23 VAL A 128 -2.274 -4.237 13.357 1.00 0.80 H new ATOM 543 N ASN A 129 -6.507 -3.581 11.634 1.00 0.65 N ATOM 544 CA ASN A 129 -7.639 -4.468 11.356 1.00 0.81 C ATOM 545 C ASN A 129 -7.899 -4.680 9.853 1.00 0.77 C ATOM 546 O ASN A 129 -8.754 -5.481 9.489 1.00 0.94 O ATOM 547 CB ASN A 129 -8.871 -3.893 12.078 1.00 1.02 C ATOM 548 CG ASN A 129 -8.675 -3.858 13.589 1.00 1.15 C ATOM 549 OD1 ASN A 129 -8.590 -4.889 14.236 1.00 1.44 O ATOM 550 ND2 ASN A 129 -8.569 -2.682 14.187 1.00 1.34 N ATOM 0 H ASN A 129 -6.803 -2.622 11.817 1.00 0.65 H new ATOM 0 HA ASN A 129 -7.407 -5.464 11.732 1.00 0.81 H new ATOM 0 HB2 ASN A 129 -9.069 -2.885 11.713 1.00 1.02 H new ATOM 0 HB3 ASN A 129 -9.747 -4.496 11.839 1.00 1.02 H new ATOM 0 HD21 ASN A 129 -8.415 -2.634 15.194 1.00 1.34 H new ATOM 0 HD22 ASN A 129 -8.641 -1.824 13.641 1.00 1.34 H new ATOM 557 N GLU A 130 -7.202 -3.944 8.982 1.00 0.61 N ATOM 558 CA GLU A 130 -7.634 -3.658 7.611 1.00 0.56 C ATOM 559 C GLU A 130 -6.449 -3.536 6.645 1.00 0.40 C ATOM 560 O GLU A 130 -5.320 -3.881 6.965 1.00 0.56 O ATOM 561 CB GLU A 130 -8.469 -2.363 7.568 1.00 0.75 C ATOM 562 CG GLU A 130 -9.543 -2.295 8.652 1.00 0.92 C ATOM 563 CD GLU A 130 -10.358 -1.015 8.522 1.00 1.34 C ATOM 564 OE1 GLU A 130 -11.093 -0.891 7.523 1.00 1.91 O ATOM 565 OE2 GLU A 130 -10.165 -0.143 9.401 1.00 2.16 O ATOM 0 H GLU A 130 -6.303 -3.522 9.215 1.00 0.61 H new ATOM 0 HA GLU A 130 -8.245 -4.501 7.288 1.00 0.56 H new ATOM 0 HB2 GLU A 130 -7.803 -1.507 7.673 1.00 0.75 H new ATOM 0 HB3 GLU A 130 -8.944 -2.279 6.591 1.00 0.75 H new ATOM 0 HG2 GLU A 130 -10.201 -3.161 8.574 1.00 0.92 H new ATOM 0 HG3 GLU A 130 -9.077 -2.337 9.636 1.00 0.92 H new ATOM 572 N VAL A 131 -6.726 -3.071 5.433 1.00 0.37 N ATOM 573 CA VAL A 131 -5.844 -3.032 4.264 1.00 0.39 C ATOM 574 C VAL A 131 -6.080 -1.730 3.478 1.00 0.46 C ATOM 575 O VAL A 131 -7.059 -1.031 3.735 1.00 0.63 O ATOM 576 CB VAL A 131 -6.116 -4.249 3.360 1.00 0.37 C ATOM 577 CG1 VAL A 131 -5.746 -5.590 3.991 1.00 0.36 C ATOM 578 CG2 VAL A 131 -7.574 -4.286 2.872 1.00 0.42 C ATOM 0 H VAL A 131 -7.644 -2.680 5.221 1.00 0.37 H new ATOM 0 HA VAL A 131 -4.807 -3.065 4.597 1.00 0.39 H new ATOM 0 HB VAL A 131 -5.454 -4.109 2.506 1.00 0.37 H new ATOM 0 HG11 VAL A 131 -5.968 -6.395 3.291 1.00 0.36 H new ATOM 0 HG12 VAL A 131 -4.682 -5.599 4.229 1.00 0.36 H new ATOM 0 HG13 VAL A 131 -6.323 -5.734 4.904 1.00 0.36 H new ATOM 0 HG21 VAL A 131 -7.723 -5.160 2.238 1.00 0.42 H new ATOM 0 HG22 VAL A 131 -8.244 -4.342 3.730 1.00 0.42 H new ATOM 0 HG23 VAL A 131 -7.790 -3.382 2.302 1.00 0.42 H new ATOM 588 N ALA A 132 -5.236 -1.415 2.489 1.00 0.40 N ATOM 589 CA ALA A 132 -5.441 -0.296 1.558 1.00 0.43 C ATOM 590 C ALA A 132 -4.800 -0.576 0.192 1.00 0.42 C ATOM 591 O ALA A 132 -3.754 -1.216 0.145 1.00 0.46 O ATOM 592 CB ALA A 132 -4.848 0.973 2.177 1.00 0.52 C ATOM 0 H ALA A 132 -4.378 -1.937 2.309 1.00 0.40 H new ATOM 0 HA ALA A 132 -6.510 -0.166 1.391 1.00 0.43 H new ATOM 0 HB1 ALA A 132 -4.993 1.812 1.496 1.00 0.52 H new ATOM 0 HB2 ALA A 132 -5.346 1.183 3.123 1.00 0.52 H new ATOM 0 HB3 ALA A 132 -3.782 0.828 2.352 1.00 0.52 H new ATOM 598 N ARG A 133 -5.379 -0.075 -0.909 1.00 0.53 N ATOM 599 CA ARG A 133 -4.845 -0.263 -2.270 1.00 0.51 C ATOM 600 C ARG A 133 -4.376 1.051 -2.897 1.00 0.53 C ATOM 601 O ARG A 133 -5.092 2.050 -2.826 1.00 0.59 O ATOM 602 CB ARG A 133 -5.913 -0.895 -3.178 1.00 0.56 C ATOM 603 CG ARG A 133 -5.316 -1.494 -4.469 1.00 0.59 C ATOM 604 CD ARG A 133 -6.345 -1.502 -5.600 1.00 0.89 C ATOM 605 NE ARG A 133 -5.814 -2.182 -6.793 1.00 2.02 N ATOM 606 CZ ARG A 133 -5.627 -1.662 -8.000 1.00 3.19 C ATOM 607 NH1 ARG A 133 -5.684 -0.371 -8.253 1.00 3.87 N ATOM 608 NH2 ARG A 133 -5.355 -2.468 -8.997 1.00 4.56 N ATOM 0 H ARG A 133 -6.237 0.476 -0.882 1.00 0.53 H new ATOM 0 HA ARG A 133 -3.983 -0.924 -2.181 1.00 0.51 H new ATOM 0 HB2 ARG A 133 -6.436 -1.677 -2.627 1.00 0.56 H new ATOM 0 HB3 ARG A 133 -6.654 -0.140 -3.441 1.00 0.56 H new ATOM 0 HG2 ARG A 133 -4.443 -0.916 -4.772 1.00 0.59 H new ATOM 0 HG3 ARG A 133 -4.974 -2.511 -4.277 1.00 0.59 H new ATOM 0 HD2 ARG A 133 -7.254 -2.003 -5.266 1.00 0.89 H new ATOM 0 HD3 ARG A 133 -6.620 -0.478 -5.853 1.00 0.89 H new ATOM 0 HE ARG A 133 -5.561 -3.164 -6.679 1.00 2.02 H new ATOM 0 HH11 ARG A 133 -5.881 0.288 -7.500 1.00 3.87 H new ATOM 0 HH12 ARG A 133 -5.531 -0.030 -9.202 1.00 3.87 H new ATOM 0 HH21 ARG A 133 -5.291 -3.473 -8.837 1.00 4.56 H new ATOM 0 HH22 ARG A 133 -5.208 -2.090 -9.933 1.00 4.56 H new ATOM 622 N CYS A 134 -3.240 0.991 -3.592 1.00 0.54 N ATOM 623 CA CYS A 134 -2.833 1.953 -4.598 1.00 0.56 C ATOM 624 C CYS A 134 -3.874 2.106 -5.735 1.00 0.63 C ATOM 625 O CYS A 134 -4.672 1.207 -6.028 1.00 1.00 O ATOM 626 CB CYS A 134 -1.447 1.481 -5.068 1.00 0.57 C ATOM 627 SG CYS A 134 -0.513 2.568 -6.199 1.00 0.73 S ATOM 0 H CYS A 134 -2.559 0.243 -3.460 1.00 0.54 H new ATOM 0 HA CYS A 134 -2.773 2.965 -4.196 1.00 0.56 H new ATOM 0 HB2 CYS A 134 -0.833 1.313 -4.183 1.00 0.57 H new ATOM 0 HB3 CYS A 134 -1.571 0.515 -5.558 1.00 0.57 H new ATOM 0 HG CYS A 134 0.547 1.946 -6.622 1.00 0.73 H new ATOM 632 N TRP A 135 -3.829 3.242 -6.425 1.00 0.74 N ATOM 633 CA TRP A 135 -4.539 3.451 -7.687 1.00 0.82 C ATOM 634 C TRP A 135 -3.587 3.530 -8.900 1.00 0.82 C ATOM 635 O TRP A 135 -4.066 3.503 -10.028 1.00 0.92 O ATOM 636 CB TRP A 135 -5.437 4.687 -7.530 1.00 0.85 C ATOM 637 CG TRP A 135 -4.726 5.980 -7.294 1.00 0.75 C ATOM 638 CD1 TRP A 135 -4.428 6.525 -6.094 1.00 0.77 C ATOM 639 CD2 TRP A 135 -4.174 6.883 -8.294 1.00 0.84 C ATOM 640 NE1 TRP A 135 -3.729 7.701 -6.285 1.00 0.88 N ATOM 641 CE2 TRP A 135 -3.524 7.961 -7.624 1.00 0.90 C ATOM 642 CE3 TRP A 135 -4.108 6.859 -9.702 1.00 0.98 C ATOM 643 CZ2 TRP A 135 -2.835 8.967 -8.317 1.00 1.08 C ATOM 644 CZ3 TRP A 135 -3.384 7.835 -10.404 1.00 1.13 C ATOM 645 CH2 TRP A 135 -2.757 8.893 -9.720 1.00 1.17 C ATOM 0 H TRP A 135 -3.292 4.054 -6.121 1.00 0.74 H new ATOM 0 HA TRP A 135 -5.166 2.586 -7.904 1.00 0.82 H new ATOM 0 HB2 TRP A 135 -6.046 4.787 -8.429 1.00 0.85 H new ATOM 0 HB3 TRP A 135 -6.121 4.513 -6.699 1.00 0.85 H new ATOM 0 HD1 TRP A 135 -4.695 6.106 -5.135 1.00 0.77 H new ATOM 0 HE1 TRP A 135 -3.404 8.303 -5.529 1.00 0.88 H new ATOM 0 HE3 TRP A 135 -4.621 6.080 -10.247 1.00 0.98 H new ATOM 0 HZ2 TRP A 135 -2.372 9.784 -7.783 1.00 1.08 H new ATOM 0 HZ3 TRP A 135 -3.307 7.774 -11.480 1.00 1.13 H new ATOM 0 HH2 TRP A 135 -2.216 9.648 -10.272 1.00 1.17 H new ATOM 656 N GLU A 136 -2.263 3.591 -8.672 1.00 0.78 N ATOM 657 CA GLU A 136 -1.236 3.810 -9.707 1.00 0.78 C ATOM 658 C GLU A 136 -0.656 2.441 -10.168 1.00 0.86 C ATOM 659 O GLU A 136 -1.156 1.855 -11.127 1.00 1.06 O ATOM 660 CB GLU A 136 -0.149 4.749 -9.142 1.00 0.70 C ATOM 661 CG GLU A 136 -0.416 6.257 -9.205 1.00 0.62 C ATOM 662 CD GLU A 136 0.187 6.921 -10.456 1.00 0.85 C ATOM 663 OE1 GLU A 136 1.416 7.161 -10.451 1.00 1.59 O ATOM 664 OE2 GLU A 136 -0.554 7.223 -11.415 1.00 1.67 O ATOM 0 H GLU A 136 -1.867 3.487 -7.738 1.00 0.78 H new ATOM 0 HA GLU A 136 -1.669 4.288 -10.586 1.00 0.78 H new ATOM 0 HB2 GLU A 136 0.019 4.480 -8.099 1.00 0.70 H new ATOM 0 HB3 GLU A 136 0.780 4.549 -9.676 1.00 0.70 H new ATOM 0 HG2 GLU A 136 -1.492 6.431 -9.190 1.00 0.62 H new ATOM 0 HG3 GLU A 136 -0.004 6.731 -8.314 1.00 0.62 H new ATOM 671 N CYS A 137 0.334 1.869 -9.453 1.00 0.80 N ATOM 672 CA CYS A 137 0.783 0.479 -9.618 1.00 0.80 C ATOM 673 C CYS A 137 -0.237 -0.548 -9.062 1.00 0.85 C ATOM 674 O CYS A 137 -0.135 -1.754 -9.321 1.00 1.22 O ATOM 675 CB CYS A 137 2.153 0.314 -8.933 1.00 0.84 C ATOM 676 SG CYS A 137 2.146 0.557 -7.136 1.00 0.88 S ATOM 0 H CYS A 137 0.851 2.373 -8.732 1.00 0.80 H new ATOM 0 HA CYS A 137 0.869 0.274 -10.685 1.00 0.80 H new ATOM 0 HB2 CYS A 137 2.532 -0.685 -9.148 1.00 0.84 H new ATOM 0 HB3 CYS A 137 2.852 1.022 -9.378 1.00 0.84 H new ATOM 0 HG CYS A 137 1.695 -0.515 -6.555 1.00 0.88 H new ATOM 681 N GLY A 138 -1.199 -0.087 -8.256 1.00 0.65 N ATOM 682 CA GLY A 138 -2.355 -0.870 -7.833 1.00 0.65 C ATOM 683 C GLY A 138 -2.009 -2.008 -6.872 1.00 0.63 C ATOM 684 O GLY A 138 -2.766 -2.975 -6.793 1.00 0.74 O ATOM 0 H GLY A 138 -1.192 0.859 -7.875 1.00 0.65 H new ATOM 0 HA2 GLY A 138 -3.075 -0.208 -7.353 1.00 0.65 H new ATOM 0 HA3 GLY A 138 -2.843 -1.286 -8.714 1.00 0.65 H new ATOM 688 N SER A 139 -0.878 -1.921 -6.165 1.00 0.58 N ATOM 689 CA SER A 139 -0.531 -2.831 -5.077 1.00 0.61 C ATOM 690 C SER A 139 -1.419 -2.564 -3.863 1.00 0.58 C ATOM 691 O SER A 139 -1.512 -1.422 -3.415 1.00 0.78 O ATOM 692 CB SER A 139 0.948 -2.692 -4.676 1.00 0.71 C ATOM 693 OG SER A 139 1.308 -1.344 -4.613 1.00 1.60 O ATOM 0 H SER A 139 -0.171 -1.206 -6.337 1.00 0.58 H new ATOM 0 HA SER A 139 -0.694 -3.848 -5.432 1.00 0.61 H new ATOM 0 HB2 SER A 139 1.116 -3.166 -3.709 1.00 0.71 H new ATOM 0 HB3 SER A 139 1.578 -3.210 -5.399 1.00 0.71 H new ATOM 0 HG SER A 139 1.686 -1.147 -3.730 1.00 1.60 H new ATOM 699 N VAL A 140 -2.015 -3.618 -3.301 1.00 0.50 N ATOM 700 CA VAL A 140 -2.558 -3.564 -1.937 1.00 0.47 C ATOM 701 C VAL A 140 -1.416 -3.670 -0.931 1.00 0.46 C ATOM 702 O VAL A 140 -0.440 -4.368 -1.186 1.00 0.54 O ATOM 703 CB VAL A 140 -3.613 -4.668 -1.662 1.00 0.50 C ATOM 704 CG1 VAL A 140 -4.282 -4.581 -0.276 1.00 0.49 C ATOM 705 CG2 VAL A 140 -4.750 -4.690 -2.693 1.00 0.56 C ATOM 0 H VAL A 140 -2.135 -4.518 -3.766 1.00 0.50 H new ATOM 0 HA VAL A 140 -3.070 -2.608 -1.830 1.00 0.47 H new ATOM 0 HB VAL A 140 -3.016 -5.578 -1.723 1.00 0.50 H new ATOM 0 HG11 VAL A 140 -5.005 -5.390 -0.169 1.00 0.49 H new ATOM 0 HG12 VAL A 140 -3.522 -4.668 0.501 1.00 0.49 H new ATOM 0 HG13 VAL A 140 -4.793 -3.623 -0.178 1.00 0.49 H new ATOM 0 HG21 VAL A 140 -5.453 -5.485 -2.443 1.00 0.56 H new ATOM 0 HG22 VAL A 140 -5.268 -3.731 -2.684 1.00 0.56 H new ATOM 0 HG23 VAL A 140 -4.338 -4.870 -3.686 1.00 0.56 H new ATOM 715 N TYR A 141 -1.588 -2.997 0.205 1.00 0.41 N ATOM 716 CA TYR A 141 -0.715 -2.859 1.369 1.00 0.39 C ATOM 717 C TYR A 141 -1.496 -3.118 2.659 1.00 0.36 C ATOM 718 O TYR A 141 -2.711 -2.902 2.703 1.00 0.44 O ATOM 719 CB TYR A 141 -0.226 -1.411 1.449 1.00 0.40 C ATOM 720 CG TYR A 141 0.741 -1.020 0.372 1.00 0.45 C ATOM 721 CD1 TYR A 141 0.289 -0.575 -0.884 1.00 1.43 C ATOM 722 CD2 TYR A 141 2.112 -1.113 0.644 1.00 1.86 C ATOM 723 CE1 TYR A 141 1.219 -0.241 -1.875 1.00 1.42 C ATOM 724 CE2 TYR A 141 3.045 -0.785 -0.345 1.00 1.93 C ATOM 725 CZ TYR A 141 2.609 -0.377 -1.625 1.00 0.65 C ATOM 726 OH TYR A 141 3.538 -0.172 -2.597 1.00 0.82 O ATOM 0 H TYR A 141 -2.450 -2.471 0.348 1.00 0.41 H new ATOM 0 HA TYR A 141 0.105 -3.569 1.266 1.00 0.39 H new ATOM 0 HB2 TYR A 141 -1.089 -0.747 1.403 1.00 0.40 H new ATOM 0 HB3 TYR A 141 0.247 -1.254 2.419 1.00 0.40 H new ATOM 0 HD1 TYR A 141 -0.769 -0.492 -1.082 1.00 1.43 H new ATOM 0 HD2 TYR A 141 2.449 -1.438 1.617 1.00 1.86 H new ATOM 0 HE1 TYR A 141 0.877 0.122 -2.833 1.00 1.42 H new ATOM 0 HE2 TYR A 141 4.102 -0.844 -0.129 1.00 1.93 H new ATOM 0 HH TYR A 141 3.275 0.597 -3.144 1.00 0.82 H new ATOM 736 N LYS A 142 -0.801 -3.501 3.734 1.00 0.34 N ATOM 737 CA LYS A 142 -1.448 -3.790 5.005 1.00 0.25 C ATOM 738 C LYS A 142 -0.667 -3.286 6.217 1.00 0.35 C ATOM 739 O LYS A 142 0.561 -3.168 6.191 1.00 0.47 O ATOM 740 CB LYS A 142 -1.662 -5.305 5.099 1.00 0.40 C ATOM 741 CG LYS A 142 -2.807 -5.617 6.046 1.00 0.41 C ATOM 742 CD LYS A 142 -2.451 -6.445 7.267 1.00 0.80 C ATOM 743 CE LYS A 142 -3.672 -6.218 8.155 1.00 0.99 C ATOM 744 NZ LYS A 142 -3.420 -6.629 9.548 1.00 2.28 N ATOM 0 H LYS A 142 0.212 -3.617 3.743 1.00 0.34 H new ATOM 0 HA LYS A 142 -2.398 -3.255 5.027 1.00 0.25 H new ATOM 0 HB2 LYS A 142 -1.878 -5.711 4.111 1.00 0.40 H new ATOM 0 HB3 LYS A 142 -0.749 -5.787 5.449 1.00 0.40 H new ATOM 0 HG2 LYS A 142 -3.241 -4.676 6.383 1.00 0.41 H new ATOM 0 HG3 LYS A 142 -3.582 -6.143 5.488 1.00 0.41 H new ATOM 0 HD2 LYS A 142 -2.312 -7.498 7.022 1.00 0.80 H new ATOM 0 HD3 LYS A 142 -1.530 -6.103 7.740 1.00 0.80 H new ATOM 0 HE2 LYS A 142 -3.948 -5.164 8.131 1.00 0.99 H new ATOM 0 HE3 LYS A 142 -4.519 -6.778 7.758 1.00 0.99 H new ATOM 0 HZ1 LYS A 142 -4.203 -6.307 10.152 1.00 2.28 H new ATOM 0 HZ2 LYS A 142 -3.349 -7.665 9.597 1.00 2.28 H new ATOM 0 HZ3 LYS A 142 -2.530 -6.205 9.879 1.00 2.28 H new ATOM 758 N LEU A 143 -1.396 -3.009 7.302 1.00 0.40 N ATOM 759 CA LEU A 143 -0.803 -2.569 8.561 1.00 0.42 C ATOM 760 C LEU A 143 -0.696 -3.699 9.578 1.00 0.42 C ATOM 761 O LEU A 143 -1.557 -4.573 9.676 1.00 0.56 O ATOM 762 CB LEU A 143 -1.616 -1.404 9.129 1.00 0.49 C ATOM 763 CG LEU A 143 -0.846 -0.568 10.173 1.00 0.59 C ATOM 764 CD1 LEU A 143 -1.120 0.897 9.898 1.00 0.44 C ATOM 765 CD2 LEU A 143 -1.291 -0.855 11.607 1.00 0.90 C ATOM 0 H LEU A 143 -2.413 -3.084 7.329 1.00 0.40 H new ATOM 0 HA LEU A 143 0.215 -2.239 8.354 1.00 0.42 H new ATOM 0 HB2 LEU A 143 -1.925 -0.754 8.311 1.00 0.49 H new ATOM 0 HB3 LEU A 143 -2.525 -1.794 9.587 1.00 0.49 H new ATOM 0 HG LEU A 143 0.209 -0.826 10.086 1.00 0.59 H new ATOM 0 HD11 LEU A 143 -0.586 1.510 10.624 1.00 0.44 H new ATOM 0 HD12 LEU A 143 -0.782 1.148 8.893 1.00 0.44 H new ATOM 0 HD13 LEU A 143 -2.190 1.088 9.979 1.00 0.44 H new ATOM 0 HD21 LEU A 143 -0.715 -0.238 12.297 1.00 0.90 H new ATOM 0 HD22 LEU A 143 -2.351 -0.624 11.712 1.00 0.90 H new ATOM 0 HD23 LEU A 143 -1.125 -1.908 11.836 1.00 0.90 H new ATOM 777 N ASN A 144 0.381 -3.664 10.348 1.00 0.43 N ATOM 778 CA ASN A 144 0.741 -4.706 11.305 1.00 0.50 C ATOM 779 C ASN A 144 0.343 -4.351 12.756 1.00 0.72 C ATOM 780 O ASN A 144 0.089 -3.194 13.062 1.00 0.90 O ATOM 781 CB ASN A 144 2.243 -5.030 11.137 1.00 0.47 C ATOM 782 CG ASN A 144 3.178 -3.836 10.969 1.00 0.76 C ATOM 783 OD1 ASN A 144 2.848 -2.691 11.214 1.00 1.31 O ATOM 784 ND2 ASN A 144 4.402 -4.093 10.558 1.00 0.84 N ATOM 0 H ASN A 144 1.047 -2.892 10.326 1.00 0.43 H new ATOM 0 HA ASN A 144 0.167 -5.607 11.091 1.00 0.50 H new ATOM 0 HB2 ASN A 144 2.569 -5.600 12.007 1.00 0.47 H new ATOM 0 HB3 ASN A 144 2.358 -5.679 10.269 1.00 0.47 H new ATOM 0 HD21 ASN A 144 5.072 -3.333 10.445 1.00 0.84 H new ATOM 0 HD22 ASN A 144 4.680 -5.053 10.352 1.00 0.84 H new ATOM 791 N PRO A 145 0.289 -5.332 13.684 1.00 0.92 N ATOM 792 CA PRO A 145 0.012 -5.091 15.108 1.00 1.16 C ATOM 793 C PRO A 145 1.199 -4.497 15.879 1.00 1.13 C ATOM 794 O PRO A 145 0.999 -3.787 16.854 1.00 1.28 O ATOM 795 CB PRO A 145 -0.331 -6.469 15.683 1.00 1.39 C ATOM 796 CG PRO A 145 0.581 -7.355 14.838 1.00 1.30 C ATOM 797 CD PRO A 145 0.374 -6.764 13.449 1.00 1.06 C ATOM 0 HA PRO A 145 -0.788 -4.357 15.206 1.00 1.16 H new ATOM 0 HB2 PRO A 145 -0.109 -6.541 16.748 1.00 1.39 H new ATOM 0 HB3 PRO A 145 -1.384 -6.720 15.559 1.00 1.39 H new ATOM 0 HG2 PRO A 145 1.621 -7.297 15.158 1.00 1.30 H new ATOM 0 HG3 PRO A 145 0.292 -8.405 14.885 1.00 1.30 H new ATOM 0 HD2 PRO A 145 1.201 -7.011 12.783 1.00 1.06 H new ATOM 0 HD3 PRO A 145 -0.535 -7.147 12.984 1.00 1.06 H new ATOM 805 N VAL A 146 2.419 -4.794 15.416 1.00 1.13 N ATOM 806 CA VAL A 146 3.705 -4.209 15.815 1.00 1.05 C ATOM 807 C VAL A 146 3.979 -4.098 17.333 1.00 2.06 C ATOM 808 O VAL A 146 3.352 -4.760 18.157 1.00 3.57 O ATOM 809 CB VAL A 146 3.931 -2.839 15.101 1.00 0.98 C ATOM 810 CG1 VAL A 146 5.117 -2.877 14.149 1.00 1.35 C ATOM 811 CG2 VAL A 146 2.782 -2.343 14.251 1.00 3.09 C ATOM 0 H VAL A 146 2.542 -5.506 14.696 1.00 1.13 H new ATOM 0 HA VAL A 146 4.441 -4.940 15.480 1.00 1.05 H new ATOM 0 HB VAL A 146 4.076 -2.171 15.950 1.00 0.98 H new ATOM 0 HG11 VAL A 146 5.235 -1.902 13.676 1.00 1.35 H new ATOM 0 HG12 VAL A 146 6.022 -3.123 14.705 1.00 1.35 H new ATOM 0 HG13 VAL A 146 4.945 -3.634 13.383 1.00 1.35 H new ATOM 0 HG21 VAL A 146 3.047 -1.385 13.803 1.00 3.09 H new ATOM 0 HG22 VAL A 146 2.574 -3.067 13.463 1.00 3.09 H new ATOM 0 HG23 VAL A 146 1.896 -2.219 14.873 1.00 3.09 H new ATOM 821 N GLY A 147 4.940 -3.243 17.704 1.00 1.67 N ATOM 822 CA GLY A 147 4.728 -2.283 18.778 1.00 1.79 C ATOM 823 C GLY A 147 5.978 -1.940 19.590 1.00 1.80 C ATOM 824 O GLY A 147 6.954 -2.681 19.638 1.00 1.93 O ATOM 0 H GLY A 147 5.865 -3.201 17.275 1.00 1.67 H new ATOM 0 HA2 GLY A 147 4.326 -1.364 18.351 1.00 1.79 H new ATOM 0 HA3 GLY A 147 3.970 -2.678 19.454 1.00 1.79 H new