USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=17 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 -159:sc= 0.591 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -3.38 X(o=-0.77,f=-1.2) USER MOD Set 1.3: A 134 CYS SG : rot 124:sc= 1.43 USER MOD Set 1.4: A 137 CYS SG : rot -29:sc= 0.195 USER MOD Set 1.5: A 141 TYR OH : rot 52:sc= 0.398 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.12) USER MOD Single : A 102 SER OG : rot -50:sc= 0.0897 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc=-0.00493 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 122 MET CE :methyl -131:sc= -0.954 (180deg=-6.4!) USER MOD Single : A 125 LYS NZ :NH3+ -123:sc= 1.19 (180deg=-1.34!) USER MOD Single : A 127 THR OG1 : rot 159:sc= 1.24 USER MOD Single : A 129 ASN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 139 SER OG : rot -121:sc= 0.872 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -2.72 K(o=-2.7,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.847 -8.753 0.017 1.00 0.81 N ATOM 2 CA MET A 94 -6.258 -8.341 1.352 1.00 0.81 C ATOM 3 C MET A 94 -5.840 -9.199 2.546 1.00 1.02 C ATOM 4 O MET A 94 -6.018 -8.815 3.694 1.00 2.11 O ATOM 5 CB MET A 94 -7.785 -8.249 1.310 1.00 0.89 C ATOM 6 CG MET A 94 -8.363 -7.505 0.100 1.00 0.89 C ATOM 7 SD MET A 94 -10.039 -6.873 0.340 1.00 1.22 S ATOM 8 CE MET A 94 -10.404 -6.268 -1.328 1.00 2.08 C ATOM 0 HA MET A 94 -5.731 -7.407 1.546 1.00 0.81 H new ATOM 0 HB2 MET A 94 -8.194 -9.259 1.324 1.00 0.89 H new ATOM 0 HB3 MET A 94 -8.128 -7.754 2.218 1.00 0.89 H new ATOM 0 HG2 MET A 94 -7.706 -6.671 -0.146 1.00 0.89 H new ATOM 0 HG3 MET A 94 -8.361 -8.177 -0.759 1.00 0.89 H new ATOM 0 HE1 MET A 94 -11.408 -5.844 -1.350 1.00 2.08 H new ATOM 0 HE2 MET A 94 -9.680 -5.501 -1.603 1.00 2.08 H new ATOM 0 HE3 MET A 94 -10.343 -7.094 -2.036 1.00 2.08 H new ATOM 18 N LYS A 95 -5.292 -10.372 2.282 1.00 1.00 N ATOM 19 CA LYS A 95 -4.693 -11.213 3.306 1.00 1.01 C ATOM 20 C LYS A 95 -3.460 -10.576 3.984 1.00 1.09 C ATOM 21 O LYS A 95 -3.417 -10.403 5.198 1.00 1.71 O ATOM 22 CB LYS A 95 -4.321 -12.562 2.655 1.00 1.02 C ATOM 23 CG LYS A 95 -3.650 -12.492 1.254 1.00 0.96 C ATOM 24 CD LYS A 95 -2.266 -13.137 1.354 1.00 0.96 C ATOM 25 CE LYS A 95 -1.309 -13.128 0.160 1.00 1.12 C ATOM 26 NZ LYS A 95 0.020 -13.629 0.615 1.00 1.98 N ATOM 0 H LYS A 95 -5.249 -10.772 1.344 1.00 1.00 H new ATOM 0 HA LYS A 95 -5.422 -11.349 4.105 1.00 1.01 H new ATOM 0 HB2 LYS A 95 -3.649 -13.093 3.329 1.00 1.02 H new ATOM 0 HB3 LYS A 95 -5.227 -13.162 2.570 1.00 1.02 H new ATOM 0 HG2 LYS A 95 -4.259 -13.012 0.514 1.00 0.96 H new ATOM 0 HG3 LYS A 95 -3.564 -11.456 0.925 1.00 0.96 H new ATOM 0 HD2 LYS A 95 -1.748 -12.656 2.183 1.00 0.96 H new ATOM 0 HD3 LYS A 95 -2.418 -14.179 1.635 1.00 0.96 H new ATOM 0 HE2 LYS A 95 -1.697 -13.757 -0.641 1.00 1.12 H new ATOM 0 HE3 LYS A 95 -1.216 -12.120 -0.243 1.00 1.12 H new ATOM 0 HZ1 LYS A 95 0.714 -13.518 -0.152 1.00 1.98 H new ATOM 0 HZ2 LYS A 95 0.331 -13.084 1.444 1.00 1.98 H new ATOM 0 HZ3 LYS A 95 -0.057 -14.634 0.870 1.00 1.98 H new ATOM 40 N ASP A 96 -2.442 -10.326 3.160 1.00 0.86 N ATOM 41 CA ASP A 96 -0.996 -10.310 3.466 1.00 1.18 C ATOM 42 C ASP A 96 -0.169 -10.133 2.154 1.00 1.04 C ATOM 43 O ASP A 96 0.374 -11.063 1.564 1.00 1.29 O ATOM 44 CB ASP A 96 -0.687 -11.559 4.333 1.00 1.59 C ATOM 45 CG ASP A 96 0.609 -12.332 4.048 1.00 2.89 C ATOM 46 OD1 ASP A 96 1.663 -11.917 4.570 1.00 2.77 O ATOM 47 OD2 ASP A 96 0.507 -13.316 3.268 1.00 4.60 O ATOM 0 H ASP A 96 -2.613 -10.111 2.178 1.00 0.86 H new ATOM 0 HA ASP A 96 -0.691 -9.451 4.064 1.00 1.18 H new ATOM 0 HB2 ASP A 96 -0.665 -11.244 5.376 1.00 1.59 H new ATOM 0 HB3 ASP A 96 -1.520 -12.254 4.227 1.00 1.59 H new ATOM 52 N PRO A 97 -0.203 -8.923 1.583 1.00 0.72 N ATOM 53 CA PRO A 97 0.426 -8.572 0.305 1.00 0.60 C ATOM 54 C PRO A 97 1.810 -7.925 0.460 1.00 0.58 C ATOM 55 O PRO A 97 2.760 -8.237 -0.252 1.00 0.93 O ATOM 56 CB PRO A 97 -0.554 -7.548 -0.274 1.00 0.46 C ATOM 57 CG PRO A 97 -1.159 -6.851 0.960 1.00 0.50 C ATOM 58 CD PRO A 97 -1.223 -7.968 1.959 1.00 0.65 C ATOM 0 HA PRO A 97 0.600 -9.454 -0.311 1.00 0.60 H new ATOM 0 HB2 PRO A 97 -0.045 -6.835 -0.923 1.00 0.46 H new ATOM 0 HB3 PRO A 97 -1.325 -8.032 -0.874 1.00 0.46 H new ATOM 0 HG2 PRO A 97 -0.535 -6.028 1.309 1.00 0.50 H new ATOM 0 HG3 PRO A 97 -2.145 -6.436 0.750 1.00 0.50 H new ATOM 0 HD2 PRO A 97 -1.050 -7.595 2.968 1.00 0.65 H new ATOM 0 HD3 PRO A 97 -2.209 -8.434 1.956 1.00 0.65 H new ATOM 66 N ILE A 98 1.844 -6.939 1.348 1.00 0.50 N ATOM 67 CA ILE A 98 2.837 -5.917 1.640 1.00 0.44 C ATOM 68 C ILE A 98 2.526 -5.477 3.065 1.00 0.48 C ATOM 69 O ILE A 98 1.354 -5.392 3.434 1.00 0.58 O ATOM 70 CB ILE A 98 2.697 -4.674 0.739 1.00 0.47 C ATOM 71 CG1 ILE A 98 2.278 -4.884 -0.742 1.00 0.49 C ATOM 72 CG2 ILE A 98 3.991 -3.851 0.899 1.00 0.49 C ATOM 73 CD1 ILE A 98 3.382 -4.912 -1.788 1.00 0.52 C ATOM 0 H ILE A 98 1.048 -6.824 1.976 1.00 0.50 H new ATOM 0 HA ILE A 98 3.838 -6.319 1.486 1.00 0.44 H new ATOM 0 HB ILE A 98 1.819 -4.132 1.091 1.00 0.47 H new ATOM 0 HG12 ILE A 98 1.730 -5.824 -0.806 1.00 0.49 H new ATOM 0 HG13 ILE A 98 1.581 -4.090 -1.010 1.00 0.49 H new ATOM 0 HG21 ILE A 98 3.934 -2.959 0.276 1.00 0.49 H new ATOM 0 HG22 ILE A 98 4.109 -3.558 1.942 1.00 0.49 H new ATOM 0 HG23 ILE A 98 4.846 -4.454 0.592 1.00 0.49 H new ATOM 0 HD11 ILE A 98 2.945 -5.066 -2.775 1.00 0.52 H new ATOM 0 HD12 ILE A 98 3.921 -3.965 -1.773 1.00 0.52 H new ATOM 0 HD13 ILE A 98 4.072 -5.726 -1.567 1.00 0.52 H new ATOM 85 N ILE A 99 3.558 -5.141 3.822 1.00 0.44 N ATOM 86 CA ILE A 99 3.453 -4.707 5.216 1.00 0.45 C ATOM 87 C ILE A 99 3.970 -3.292 5.366 1.00 0.45 C ATOM 88 O ILE A 99 5.003 -2.939 4.805 1.00 0.52 O ATOM 89 CB ILE A 99 4.242 -5.677 6.112 1.00 0.52 C ATOM 90 CG1 ILE A 99 3.583 -7.070 6.063 1.00 0.55 C ATOM 91 CG2 ILE A 99 4.452 -5.173 7.554 1.00 0.55 C ATOM 92 CD1 ILE A 99 2.301 -7.253 6.891 1.00 0.60 C ATOM 0 H ILE A 99 4.519 -5.161 3.480 1.00 0.44 H new ATOM 0 HA ILE A 99 2.407 -4.716 5.522 1.00 0.45 H new ATOM 0 HB ILE A 99 5.252 -5.745 5.709 1.00 0.52 H new ATOM 0 HG12 ILE A 99 3.353 -7.302 5.023 1.00 0.55 H new ATOM 0 HG13 ILE A 99 4.314 -7.805 6.400 1.00 0.55 H new ATOM 0 HG21 ILE A 99 5.016 -5.914 8.120 1.00 0.55 H new ATOM 0 HG22 ILE A 99 5.005 -4.234 7.534 1.00 0.55 H new ATOM 0 HG23 ILE A 99 3.484 -5.014 8.029 1.00 0.55 H new ATOM 0 HD11 ILE A 99 1.935 -8.273 6.774 1.00 0.60 H new ATOM 0 HD12 ILE A 99 2.517 -7.063 7.942 1.00 0.60 H new ATOM 0 HD13 ILE A 99 1.541 -6.553 6.545 1.00 0.60 H new ATOM 104 N ILE A 100 3.264 -2.507 6.167 1.00 0.41 N ATOM 105 CA ILE A 100 3.536 -1.113 6.494 1.00 0.43 C ATOM 106 C ILE A 100 3.524 -1.005 8.009 1.00 0.47 C ATOM 107 O ILE A 100 2.765 -1.719 8.661 1.00 0.72 O ATOM 108 CB ILE A 100 2.448 -0.219 5.854 1.00 0.45 C ATOM 109 CG1 ILE A 100 2.405 -0.398 4.320 1.00 0.49 C ATOM 110 CG2 ILE A 100 2.618 1.266 6.227 1.00 0.55 C ATOM 111 CD1 ILE A 100 3.731 -0.081 3.618 1.00 0.55 C ATOM 0 H ILE A 100 2.428 -2.851 6.639 1.00 0.41 H new ATOM 0 HA ILE A 100 4.500 -0.783 6.108 1.00 0.43 H new ATOM 0 HB ILE A 100 1.493 -0.547 6.264 1.00 0.45 H new ATOM 0 HG12 ILE A 100 2.122 -1.426 4.092 1.00 0.49 H new ATOM 0 HG13 ILE A 100 1.626 0.246 3.911 1.00 0.49 H new ATOM 0 HG21 ILE A 100 1.831 1.852 5.754 1.00 0.55 H new ATOM 0 HG22 ILE A 100 2.554 1.379 7.309 1.00 0.55 H new ATOM 0 HG23 ILE A 100 3.590 1.619 5.882 1.00 0.55 H new ATOM 0 HD11 ILE A 100 3.619 -0.231 2.544 1.00 0.55 H new ATOM 0 HD12 ILE A 100 4.007 0.955 3.813 1.00 0.55 H new ATOM 0 HD13 ILE A 100 4.510 -0.742 3.997 1.00 0.55 H new ATOM 123 N GLU A 101 4.339 -0.121 8.556 1.00 1.03 N ATOM 124 CA GLU A 101 4.415 0.160 9.978 1.00 1.31 C ATOM 125 C GLU A 101 3.844 1.548 10.293 1.00 1.45 C ATOM 126 O GLU A 101 3.526 2.342 9.410 1.00 1.86 O ATOM 127 CB GLU A 101 5.873 0.002 10.421 1.00 1.42 C ATOM 128 CG GLU A 101 6.191 -1.481 10.631 1.00 1.32 C ATOM 129 CD GLU A 101 7.635 -1.763 11.034 1.00 1.62 C ATOM 130 OE1 GLU A 101 8.474 -0.841 10.931 1.00 2.68 O ATOM 131 OE2 GLU A 101 7.861 -2.917 11.456 1.00 2.14 O ATOM 0 H GLU A 101 4.988 0.440 8.004 1.00 1.03 H new ATOM 0 HA GLU A 101 3.804 -0.546 10.541 1.00 1.31 H new ATOM 0 HB2 GLU A 101 6.539 0.424 9.669 1.00 1.42 H new ATOM 0 HB3 GLU A 101 6.044 0.555 11.345 1.00 1.42 H new ATOM 0 HG2 GLU A 101 5.528 -1.877 11.400 1.00 1.32 H new ATOM 0 HG3 GLU A 101 5.971 -2.022 9.710 1.00 1.32 H new ATOM 138 N SER A 102 3.675 1.831 11.579 1.00 1.45 N ATOM 139 CA SER A 102 3.071 3.093 12.035 1.00 1.59 C ATOM 140 C SER A 102 3.404 3.452 13.465 1.00 1.90 C ATOM 141 O SER A 102 3.667 4.620 13.723 1.00 3.39 O ATOM 142 CB SER A 102 1.543 2.997 11.939 1.00 1.69 C ATOM 143 OG SER A 102 0.829 4.125 12.405 1.00 2.62 O ATOM 0 H SER A 102 3.948 1.203 12.335 1.00 1.45 H new ATOM 0 HA SER A 102 3.484 3.865 11.386 1.00 1.59 H new ATOM 0 HB2 SER A 102 1.273 2.823 10.897 1.00 1.69 H new ATOM 0 HB3 SER A 102 1.216 2.124 12.503 1.00 1.69 H new ATOM 0 HG SER A 102 1.156 4.375 13.294 1.00 2.62 H new ATOM 149 N TYR A 103 3.344 2.468 14.374 1.00 1.01 N ATOM 150 CA TYR A 103 3.467 2.693 15.817 1.00 1.06 C ATOM 151 C TYR A 103 2.265 3.524 16.331 1.00 1.12 C ATOM 152 O TYR A 103 2.408 4.389 17.190 1.00 1.63 O ATOM 153 CB TYR A 103 4.879 3.213 16.182 1.00 1.18 C ATOM 154 CG TYR A 103 6.013 2.240 15.862 1.00 1.15 C ATOM 155 CD1 TYR A 103 6.322 1.865 14.535 1.00 2.16 C ATOM 156 CD2 TYR A 103 6.744 1.663 16.916 1.00 1.73 C ATOM 157 CE1 TYR A 103 7.296 0.882 14.276 1.00 2.23 C ATOM 158 CE2 TYR A 103 7.770 0.733 16.663 1.00 1.84 C ATOM 159 CZ TYR A 103 8.052 0.340 15.337 1.00 1.42 C ATOM 160 OH TYR A 103 9.004 -0.599 15.087 1.00 1.72 O ATOM 0 H TYR A 103 3.208 1.488 14.124 1.00 1.01 H new ATOM 0 HA TYR A 103 3.399 1.752 16.363 1.00 1.06 H new ATOM 0 HB2 TYR A 103 5.057 4.147 15.650 1.00 1.18 H new ATOM 0 HB3 TYR A 103 4.904 3.443 17.247 1.00 1.18 H new ATOM 0 HD1 TYR A 103 5.806 2.337 13.712 1.00 2.16 H new ATOM 0 HD2 TYR A 103 6.515 1.938 17.935 1.00 1.73 H new ATOM 0 HE1 TYR A 103 7.465 0.543 13.265 1.00 2.23 H new ATOM 0 HE2 TYR A 103 8.340 0.321 17.482 1.00 1.84 H new ATOM 0 HH TYR A 103 9.431 -0.864 15.928 1.00 1.72 H new ATOM 170 N ASP A 104 1.077 3.242 15.769 1.00 0.87 N ATOM 171 CA ASP A 104 -0.238 3.762 16.174 1.00 0.96 C ATOM 172 C ASP A 104 -1.291 2.643 16.006 1.00 1.41 C ATOM 173 O ASP A 104 -1.549 1.917 16.955 1.00 3.29 O ATOM 174 CB ASP A 104 -0.653 5.038 15.399 1.00 1.09 C ATOM 175 CG ASP A 104 0.422 6.112 15.253 1.00 1.35 C ATOM 176 OD1 ASP A 104 1.184 6.017 14.265 1.00 2.19 O ATOM 177 OD2 ASP A 104 0.388 7.141 15.966 1.00 2.20 O ATOM 0 H ASP A 104 1.006 2.608 14.973 1.00 0.87 H new ATOM 0 HA ASP A 104 -0.173 4.062 17.220 1.00 0.96 H new ATOM 0 HB2 ASP A 104 -0.981 4.743 14.402 1.00 1.09 H new ATOM 0 HB3 ASP A 104 -1.514 5.480 15.901 1.00 1.09 H new ATOM 182 N ASP A 105 -1.838 2.484 14.789 1.00 0.75 N ATOM 183 CA ASP A 105 -2.886 1.536 14.349 1.00 0.66 C ATOM 184 C ASP A 105 -3.260 1.819 12.884 1.00 0.72 C ATOM 185 O ASP A 105 -3.424 0.884 12.112 1.00 1.25 O ATOM 186 CB ASP A 105 -4.147 1.625 15.246 1.00 0.75 C ATOM 187 CG ASP A 105 -5.304 0.671 14.907 1.00 2.16 C ATOM 188 OD1 ASP A 105 -5.976 0.878 13.868 1.00 3.84 O ATOM 189 OD2 ASP A 105 -5.556 -0.254 15.710 1.00 2.69 O ATOM 0 H ASP A 105 -1.531 3.069 14.012 1.00 0.75 H new ATOM 0 HA ASP A 105 -2.487 0.526 14.437 1.00 0.66 H new ATOM 0 HB2 ASP A 105 -3.845 1.441 16.277 1.00 0.75 H new ATOM 0 HB3 ASP A 105 -4.524 2.647 15.202 1.00 0.75 H new ATOM 194 N TYR A 106 -3.340 3.098 12.483 1.00 0.59 N ATOM 195 CA TYR A 106 -3.945 3.539 11.207 1.00 0.88 C ATOM 196 C TYR A 106 -2.973 4.220 10.227 1.00 1.11 C ATOM 197 O TYR A 106 -2.911 3.838 9.056 1.00 2.62 O ATOM 198 CB TYR A 106 -5.157 4.466 11.486 1.00 1.08 C ATOM 199 CG TYR A 106 -5.380 4.865 12.936 1.00 1.07 C ATOM 200 CD1 TYR A 106 -4.548 5.830 13.541 1.00 1.63 C ATOM 201 CD2 TYR A 106 -6.368 4.214 13.699 1.00 2.61 C ATOM 202 CE1 TYR A 106 -4.678 6.114 14.915 1.00 1.74 C ATOM 203 CE2 TYR A 106 -6.521 4.515 15.065 1.00 2.84 C ATOM 204 CZ TYR A 106 -5.666 5.452 15.681 1.00 1.66 C ATOM 205 OH TYR A 106 -5.780 5.698 17.015 1.00 2.14 O ATOM 0 H TYR A 106 -2.981 3.871 13.043 1.00 0.59 H new ATOM 0 HA TYR A 106 -4.264 2.625 10.707 1.00 0.88 H new ATOM 0 HB2 TYR A 106 -5.036 5.374 10.896 1.00 1.08 H new ATOM 0 HB3 TYR A 106 -6.058 3.969 11.125 1.00 1.08 H new ATOM 0 HD1 TYR A 106 -3.810 6.352 12.950 1.00 1.63 H new ATOM 0 HD2 TYR A 106 -7.011 3.481 13.234 1.00 2.61 H new ATOM 0 HE1 TYR A 106 -4.025 6.836 15.382 1.00 1.74 H new ATOM 0 HE2 TYR A 106 -7.293 4.028 15.642 1.00 2.84 H new ATOM 0 HH TYR A 106 -6.510 5.160 17.386 1.00 2.14 H new ATOM 215 N ARG A 107 -2.257 5.238 10.728 1.00 0.90 N ATOM 216 CA ARG A 107 -1.514 6.306 10.026 1.00 1.26 C ATOM 217 C ARG A 107 -1.722 6.337 8.501 1.00 1.34 C ATOM 218 O ARG A 107 -2.824 6.634 8.048 1.00 2.60 O ATOM 219 CB ARG A 107 -0.057 6.289 10.525 1.00 1.67 C ATOM 220 CG ARG A 107 0.834 7.479 10.128 1.00 2.27 C ATOM 221 CD ARG A 107 2.165 7.469 10.900 1.00 2.30 C ATOM 222 NE ARG A 107 1.983 7.769 12.330 1.00 2.94 N ATOM 223 CZ ARG A 107 1.774 8.942 12.908 1.00 4.09 C ATOM 224 NH1 ARG A 107 1.818 10.069 12.227 1.00 4.85 N ATOM 225 NH2 ARG A 107 1.504 8.997 14.191 1.00 5.10 N ATOM 0 H ARG A 107 -2.173 5.349 11.739 1.00 0.90 H new ATOM 0 HA ARG A 107 -1.934 7.277 10.287 1.00 1.26 H new ATOM 0 HB2 ARG A 107 -0.073 6.227 11.613 1.00 1.67 H new ATOM 0 HB3 ARG A 107 0.415 5.377 10.160 1.00 1.67 H new ATOM 0 HG2 ARG A 107 1.033 7.444 9.057 1.00 2.27 H new ATOM 0 HG3 ARG A 107 0.305 8.412 10.324 1.00 2.27 H new ATOM 0 HD2 ARG A 107 2.637 6.492 10.793 1.00 2.30 H new ATOM 0 HD3 ARG A 107 2.843 8.201 10.461 1.00 2.30 H new ATOM 0 HE ARG A 107 2.023 6.967 12.959 1.00 2.94 H new ATOM 0 HH11 ARG A 107 2.017 10.053 11.227 1.00 4.85 H new ATOM 0 HH12 ARG A 107 1.653 10.957 12.700 1.00 4.85 H new ATOM 0 HH21 ARG A 107 1.456 8.138 14.739 1.00 5.10 H new ATOM 0 HH22 ARG A 107 1.342 9.899 14.640 1.00 5.10 H new ATOM 239 N TYR A 108 -0.688 6.050 7.704 1.00 0.64 N ATOM 240 CA TYR A 108 -0.725 6.062 6.237 1.00 0.59 C ATOM 241 C TYR A 108 0.466 5.302 5.628 1.00 0.65 C ATOM 242 O TYR A 108 1.475 5.092 6.300 1.00 0.77 O ATOM 243 CB TYR A 108 -0.873 7.499 5.685 1.00 0.62 C ATOM 244 CG TYR A 108 0.439 8.216 5.467 1.00 0.67 C ATOM 245 CD1 TYR A 108 1.084 8.866 6.533 1.00 2.00 C ATOM 246 CD2 TYR A 108 1.051 8.164 4.204 1.00 1.98 C ATOM 247 CE1 TYR A 108 2.369 9.411 6.354 1.00 2.05 C ATOM 248 CE2 TYR A 108 2.340 8.686 4.023 1.00 2.08 C ATOM 249 CZ TYR A 108 3.010 9.309 5.096 1.00 1.02 C ATOM 250 OH TYR A 108 4.261 9.811 4.902 1.00 1.26 O ATOM 0 H TYR A 108 0.228 5.795 8.074 1.00 0.64 H new ATOM 0 HA TYR A 108 -1.618 5.520 5.924 1.00 0.59 H new ATOM 0 HB2 TYR A 108 -1.414 7.459 4.740 1.00 0.62 H new ATOM 0 HB3 TYR A 108 -1.482 8.081 6.377 1.00 0.62 H new ATOM 0 HD1 TYR A 108 0.593 8.947 7.491 1.00 2.00 H new ATOM 0 HD2 TYR A 108 0.527 7.721 3.370 1.00 1.98 H new ATOM 0 HE1 TYR A 108 2.865 9.906 7.175 1.00 2.05 H new ATOM 0 HE2 TYR A 108 2.821 8.611 3.059 1.00 2.08 H new ATOM 0 HH TYR A 108 4.539 9.648 3.977 1.00 1.26 H new ATOM 260 N VAL A 109 0.333 4.905 4.363 1.00 0.67 N ATOM 261 CA VAL A 109 1.427 4.427 3.505 1.00 0.68 C ATOM 262 C VAL A 109 1.676 5.426 2.382 1.00 0.67 C ATOM 263 O VAL A 109 0.713 5.923 1.804 1.00 0.70 O ATOM 264 CB VAL A 109 1.128 3.040 2.904 1.00 0.74 C ATOM 265 CG1 VAL A 109 -0.130 2.957 2.043 1.00 0.82 C ATOM 266 CG2 VAL A 109 2.316 2.560 2.072 1.00 0.80 C ATOM 0 H VAL A 109 -0.569 4.906 3.887 1.00 0.67 H new ATOM 0 HA VAL A 109 2.316 4.334 4.129 1.00 0.68 H new ATOM 0 HB VAL A 109 0.950 2.400 3.769 1.00 0.74 H new ATOM 0 HG11 VAL A 109 -0.249 1.940 1.669 1.00 0.82 H new ATOM 0 HG12 VAL A 109 -1.000 3.227 2.642 1.00 0.82 H new ATOM 0 HG13 VAL A 109 -0.041 3.645 1.202 1.00 0.82 H new ATOM 0 HG21 VAL A 109 2.094 1.579 1.652 1.00 0.80 H new ATOM 0 HG22 VAL A 109 2.503 3.267 1.264 1.00 0.80 H new ATOM 0 HG23 VAL A 109 3.200 2.491 2.706 1.00 0.80 H new ATOM 276 N GLY A 110 2.949 5.697 2.088 1.00 0.67 N ATOM 277 CA GLY A 110 3.400 6.509 0.955 1.00 0.71 C ATOM 278 C GLY A 110 4.180 5.682 -0.064 1.00 0.63 C ATOM 279 O GLY A 110 5.407 5.635 0.034 1.00 0.85 O ATOM 0 H GLY A 110 3.722 5.345 2.652 1.00 0.67 H new ATOM 0 HA2 GLY A 110 2.537 6.964 0.469 1.00 0.71 H new ATOM 0 HA3 GLY A 110 4.027 7.323 1.319 1.00 0.71 H new ATOM 283 N CYS A 111 3.505 5.051 -1.033 1.00 0.54 N ATOM 284 CA CYS A 111 4.161 4.265 -2.066 1.00 0.52 C ATOM 285 C CYS A 111 4.356 5.040 -3.376 1.00 0.53 C ATOM 286 O CYS A 111 3.519 5.827 -3.841 1.00 0.53 O ATOM 287 CB CYS A 111 3.402 2.952 -2.289 1.00 0.56 C ATOM 288 SG CYS A 111 1.900 3.065 -3.349 1.00 1.32 S ATOM 0 H CYS A 111 2.489 5.076 -1.116 1.00 0.54 H new ATOM 0 HA CYS A 111 5.165 4.033 -1.712 1.00 0.52 H new ATOM 0 HB2 CYS A 111 4.086 2.230 -2.736 1.00 0.56 H new ATOM 0 HB3 CYS A 111 3.109 2.554 -1.317 1.00 0.56 H new ATOM 0 HG CYS A 111 1.123 2.051 -3.109 1.00 1.32 H new ATOM 293 N THR A 112 5.474 4.700 -4.017 1.00 0.61 N ATOM 294 CA THR A 112 5.823 5.147 -5.363 1.00 0.61 C ATOM 295 C THR A 112 5.811 4.006 -6.374 1.00 0.62 C ATOM 296 O THR A 112 6.372 4.125 -7.458 1.00 0.69 O ATOM 297 CB THR A 112 7.169 5.870 -5.359 1.00 0.72 C ATOM 298 OG1 THR A 112 8.168 5.030 -4.815 1.00 0.76 O ATOM 299 CG2 THR A 112 7.064 7.121 -4.495 1.00 0.80 C ATOM 0 H THR A 112 6.179 4.090 -3.603 1.00 0.61 H new ATOM 0 HA THR A 112 5.054 5.852 -5.679 1.00 0.61 H new ATOM 0 HB THR A 112 7.432 6.136 -6.383 1.00 0.72 H new ATOM 0 HG1 THR A 112 9.028 5.500 -4.818 1.00 0.76 H new ATOM 0 HG21 THR A 112 8.022 7.640 -4.489 1.00 0.80 H new ATOM 0 HG22 THR A 112 6.296 7.780 -4.901 1.00 0.80 H new ATOM 0 HG23 THR A 112 6.798 6.838 -3.476 1.00 0.80 H new ATOM 307 N GLY A 113 5.204 2.864 -6.036 1.00 0.69 N ATOM 308 CA GLY A 113 5.278 1.647 -6.843 1.00 0.88 C ATOM 309 C GLY A 113 5.851 0.490 -6.055 1.00 1.34 C ATOM 310 O GLY A 113 5.400 0.166 -4.960 1.00 3.10 O ATOM 0 H GLY A 113 4.645 2.760 -5.189 1.00 0.69 H new ATOM 0 HA2 GLY A 113 4.282 1.386 -7.201 1.00 0.88 H new ATOM 0 HA3 GLY A 113 5.895 1.830 -7.723 1.00 0.88 H new ATOM 314 N SER A 114 6.834 -0.181 -6.651 1.00 1.31 N ATOM 315 CA SER A 114 7.365 -1.426 -6.092 1.00 1.56 C ATOM 316 C SER A 114 8.777 -1.771 -6.584 1.00 2.44 C ATOM 317 O SER A 114 9.630 -1.920 -5.714 1.00 3.56 O ATOM 318 CB SER A 114 6.378 -2.552 -6.390 1.00 2.52 C ATOM 319 OG SER A 114 6.288 -3.531 -5.365 1.00 4.04 O ATOM 0 H SER A 114 7.280 0.114 -7.520 1.00 1.31 H new ATOM 0 HA SER A 114 7.472 -1.291 -5.016 1.00 1.56 H new ATOM 0 HB2 SER A 114 5.390 -2.121 -6.554 1.00 2.52 H new ATOM 0 HB3 SER A 114 6.671 -3.041 -7.319 1.00 2.52 H new ATOM 0 HG SER A 114 5.638 -4.217 -5.624 1.00 4.04 H new ATOM 325 N PRO A 115 9.093 -1.819 -7.903 1.00 3.37 N ATOM 326 CA PRO A 115 10.474 -1.870 -8.373 1.00 4.42 C ATOM 327 C PRO A 115 11.079 -0.457 -8.350 1.00 3.20 C ATOM 328 O PRO A 115 11.564 0.034 -9.362 1.00 4.44 O ATOM 329 CB PRO A 115 10.401 -2.482 -9.774 1.00 6.35 C ATOM 330 CG PRO A 115 9.112 -1.866 -10.307 1.00 6.37 C ATOM 331 CD PRO A 115 8.208 -1.845 -9.071 1.00 4.73 C ATOM 0 HA PRO A 115 11.128 -2.474 -7.743 1.00 4.42 H new ATOM 0 HB2 PRO A 115 11.265 -2.217 -10.383 1.00 6.35 H new ATOM 0 HB3 PRO A 115 10.354 -3.571 -9.744 1.00 6.35 H new ATOM 0 HG2 PRO A 115 9.277 -0.864 -10.704 1.00 6.37 H new ATOM 0 HG3 PRO A 115 8.682 -2.462 -11.112 1.00 6.37 H new ATOM 0 HD2 PRO A 115 7.557 -0.971 -9.083 1.00 4.73 H new ATOM 0 HD3 PRO A 115 7.563 -2.723 -9.048 1.00 4.73 H new ATOM 339 N ALA A 116 10.980 0.202 -7.187 1.00 1.44 N ATOM 340 CA ALA A 116 11.680 1.448 -6.830 1.00 1.85 C ATOM 341 C ALA A 116 11.238 2.685 -7.649 1.00 1.66 C ATOM 342 O ALA A 116 11.685 2.916 -8.768 1.00 2.01 O ATOM 343 CB ALA A 116 13.198 1.209 -6.927 1.00 3.05 C ATOM 0 H ALA A 116 10.382 -0.134 -6.432 1.00 1.44 H new ATOM 0 HA ALA A 116 11.403 1.696 -5.805 1.00 1.85 H new ATOM 0 HB1 ALA A 116 13.728 2.125 -6.665 1.00 3.05 H new ATOM 0 HB2 ALA A 116 13.486 0.414 -6.239 1.00 3.05 H new ATOM 0 HB3 ALA A 116 13.456 0.919 -7.945 1.00 3.05 H new ATOM 349 N GLY A 117 10.354 3.525 -7.083 1.00 1.50 N ATOM 350 CA GLY A 117 9.968 4.798 -7.723 1.00 1.47 C ATOM 351 C GLY A 117 9.245 4.615 -9.059 1.00 1.42 C ATOM 352 O GLY A 117 9.404 5.430 -9.964 1.00 2.01 O ATOM 0 H GLY A 117 9.895 3.348 -6.189 1.00 1.50 H new ATOM 0 HA2 GLY A 117 9.324 5.356 -7.044 1.00 1.47 H new ATOM 0 HA3 GLY A 117 10.862 5.401 -7.882 1.00 1.47 H new ATOM 356 N SER A 118 8.497 3.521 -9.204 1.00 1.09 N ATOM 357 CA SER A 118 7.934 3.043 -10.470 1.00 1.13 C ATOM 358 C SER A 118 7.012 4.070 -11.123 1.00 1.06 C ATOM 359 O SER A 118 7.146 4.326 -12.316 1.00 1.33 O ATOM 360 CB SER A 118 7.134 1.751 -10.247 1.00 1.14 C ATOM 361 OG SER A 118 7.411 0.787 -11.244 1.00 1.40 O ATOM 0 H SER A 118 8.257 2.921 -8.415 1.00 1.09 H new ATOM 0 HA SER A 118 8.780 2.863 -11.134 1.00 1.13 H new ATOM 0 HB2 SER A 118 7.373 1.340 -9.266 1.00 1.14 H new ATOM 0 HB3 SER A 118 6.068 1.978 -10.246 1.00 1.14 H new ATOM 0 HG SER A 118 6.887 -0.023 -11.071 1.00 1.40 H new ATOM 367 N HIS A 119 6.122 4.678 -10.336 1.00 0.82 N ATOM 368 CA HIS A 119 5.191 5.731 -10.750 1.00 0.79 C ATOM 369 C HIS A 119 5.598 7.101 -10.174 1.00 0.85 C ATOM 370 O HIS A 119 6.795 7.415 -10.145 1.00 1.49 O ATOM 371 CB HIS A 119 3.768 5.236 -10.447 1.00 0.69 C ATOM 372 CG HIS A 119 3.349 5.033 -8.999 1.00 0.53 C ATOM 373 ND1 HIS A 119 2.890 5.978 -8.144 1.00 0.45 N ATOM 374 CD2 HIS A 119 3.090 3.817 -8.442 1.00 0.51 C ATOM 375 CE1 HIS A 119 2.446 5.393 -7.028 1.00 0.39 C ATOM 376 NE2 HIS A 119 2.530 4.060 -7.175 1.00 0.41 N ATOM 0 H HIS A 119 6.026 4.440 -9.349 1.00 0.82 H new ATOM 0 HA HIS A 119 5.224 5.922 -11.823 1.00 0.79 H new ATOM 0 HB2 HIS A 119 3.071 5.945 -10.895 1.00 0.69 H new ATOM 0 HB3 HIS A 119 3.633 4.286 -10.965 1.00 0.69 H new ATOM 0 HD2 HIS A 119 3.279 2.852 -8.888 1.00 0.51 H new ATOM 0 HE1 HIS A 119 2.080 5.907 -6.152 1.00 0.39 H new ATOM 0 HE2 HIS A 119 2.242 3.356 -6.495 1.00 0.41 H new ATOM 384 N THR A 120 4.637 7.938 -9.771 1.00 0.68 N ATOM 385 CA THR A 120 4.860 9.103 -8.890 1.00 0.69 C ATOM 386 C THR A 120 4.720 8.666 -7.429 1.00 0.59 C ATOM 387 O THR A 120 5.158 7.576 -7.108 1.00 0.63 O ATOM 388 CB THR A 120 3.934 10.221 -9.352 1.00 0.80 C ATOM 389 OG1 THR A 120 4.329 11.410 -8.721 1.00 0.85 O ATOM 390 CG2 THR A 120 2.483 9.929 -9.006 1.00 0.78 C ATOM 0 H THR A 120 3.662 7.828 -10.050 1.00 0.68 H new ATOM 0 HA THR A 120 5.870 9.507 -8.955 1.00 0.69 H new ATOM 0 HB THR A 120 4.006 10.308 -10.436 1.00 0.80 H new ATOM 0 HG1 THR A 120 3.745 12.142 -9.008 1.00 0.85 H new ATOM 0 HG21 THR A 120 1.854 10.750 -9.352 1.00 0.78 H new ATOM 0 HG22 THR A 120 2.172 9.004 -9.492 1.00 0.78 H new ATOM 0 HG23 THR A 120 2.381 9.824 -7.926 1.00 0.78 H new ATOM 398 N ILE A 121 4.134 9.476 -6.553 1.00 0.63 N ATOM 399 CA ILE A 121 3.788 9.210 -5.142 1.00 0.66 C ATOM 400 C ILE A 121 2.309 9.362 -4.756 1.00 0.66 C ATOM 401 O ILE A 121 1.642 10.355 -5.044 1.00 0.81 O ATOM 402 CB ILE A 121 4.698 10.056 -4.230 1.00 0.74 C ATOM 403 CG1 ILE A 121 4.404 9.834 -2.743 1.00 0.80 C ATOM 404 CG2 ILE A 121 4.511 11.548 -4.481 1.00 0.79 C ATOM 405 CD1 ILE A 121 4.958 8.546 -2.194 1.00 0.95 C ATOM 0 H ILE A 121 3.861 10.420 -6.826 1.00 0.63 H new ATOM 0 HA ILE A 121 3.966 8.144 -4.997 1.00 0.66 H new ATOM 0 HB ILE A 121 5.712 9.737 -4.470 1.00 0.74 H new ATOM 0 HG12 ILE A 121 4.817 10.667 -2.173 1.00 0.80 H new ATOM 0 HG13 ILE A 121 3.325 9.847 -2.591 1.00 0.80 H new ATOM 0 HG21 ILE A 121 5.168 12.113 -3.820 1.00 0.79 H new ATOM 0 HG22 ILE A 121 4.756 11.776 -5.518 1.00 0.79 H new ATOM 0 HG23 ILE A 121 3.475 11.823 -4.284 1.00 0.79 H new ATOM 0 HD11 ILE A 121 4.707 8.464 -1.136 1.00 0.95 H new ATOM 0 HD12 ILE A 121 4.527 7.704 -2.736 1.00 0.95 H new ATOM 0 HD13 ILE A 121 6.042 8.536 -2.312 1.00 0.95 H new ATOM 417 N MET A 122 1.851 8.333 -4.033 1.00 0.58 N ATOM 418 CA MET A 122 0.505 8.056 -3.576 1.00 0.72 C ATOM 419 C MET A 122 0.433 7.791 -2.081 1.00 0.67 C ATOM 420 O MET A 122 1.363 7.234 -1.513 1.00 0.73 O ATOM 421 CB MET A 122 0.059 6.800 -4.348 1.00 0.96 C ATOM 422 CG MET A 122 -0.387 7.268 -5.721 1.00 1.21 C ATOM 423 SD MET A 122 0.722 7.967 -6.944 1.00 3.61 S ATOM 424 CE MET A 122 -0.288 9.359 -7.502 1.00 5.11 C ATOM 0 H MET A 122 2.493 7.602 -3.727 1.00 0.58 H new ATOM 0 HA MET A 122 -0.136 8.919 -3.756 1.00 0.72 H new ATOM 0 HB2 MET A 122 0.878 6.085 -4.430 1.00 0.96 H new ATOM 0 HB3 MET A 122 -0.755 6.295 -3.828 1.00 0.96 H new ATOM 0 HG2 MET A 122 -0.864 6.411 -6.196 1.00 1.21 H new ATOM 0 HG3 MET A 122 -1.165 8.013 -5.552 1.00 1.21 H new ATOM 0 HE1 MET A 122 -0.324 9.369 -8.591 1.00 5.11 H new ATOM 0 HE2 MET A 122 -1.299 9.257 -7.107 1.00 5.11 H new ATOM 0 HE3 MET A 122 0.149 10.292 -7.145 1.00 5.11 H new ATOM 434 N TRP A 123 -0.699 8.151 -1.468 1.00 0.63 N ATOM 435 CA TRP A 123 -0.899 8.088 -0.018 1.00 0.62 C ATOM 436 C TRP A 123 -2.189 7.316 0.309 1.00 0.62 C ATOM 437 O TRP A 123 -3.270 7.737 -0.109 1.00 0.79 O ATOM 438 CB TRP A 123 -0.919 9.504 0.598 1.00 0.67 C ATOM 439 CG TRP A 123 -0.277 10.610 -0.191 1.00 0.93 C ATOM 440 CD1 TRP A 123 -0.910 11.391 -1.096 1.00 1.50 C ATOM 441 CD2 TRP A 123 1.110 11.072 -0.170 1.00 1.00 C ATOM 442 NE1 TRP A 123 -0.019 12.296 -1.636 1.00 1.70 N ATOM 443 CE2 TRP A 123 1.240 12.155 -1.092 1.00 1.34 C ATOM 444 CE3 TRP A 123 2.271 10.692 0.536 1.00 1.32 C ATOM 445 CZ2 TRP A 123 2.450 12.836 -1.290 1.00 1.53 C ATOM 446 CZ3 TRP A 123 3.492 11.369 0.348 1.00 1.68 C ATOM 447 CH2 TRP A 123 3.581 12.444 -0.554 1.00 1.62 C ATOM 0 H TRP A 123 -1.514 8.499 -1.973 1.00 0.63 H new ATOM 0 HA TRP A 123 -0.061 7.551 0.426 1.00 0.62 H new ATOM 0 HB2 TRP A 123 -1.958 9.778 0.778 1.00 0.67 H new ATOM 0 HB3 TRP A 123 -0.429 9.455 1.570 1.00 0.67 H new ATOM 0 HD1 TRP A 123 -1.955 11.317 -1.357 1.00 1.50 H new ATOM 0 HE1 TRP A 123 -0.262 12.984 -2.349 1.00 1.70 H new ATOM 0 HE3 TRP A 123 2.223 9.868 1.232 1.00 1.32 H new ATOM 0 HZ2 TRP A 123 2.512 13.650 -1.998 1.00 1.53 H new ATOM 0 HZ3 TRP A 123 4.367 11.060 0.901 1.00 1.68 H new ATOM 0 HH2 TRP A 123 4.517 12.968 -0.681 1.00 1.62 H new ATOM 458 N LEU A 124 -2.096 6.205 1.054 1.00 0.60 N ATOM 459 CA LEU A 124 -3.247 5.355 1.407 1.00 0.65 C ATOM 460 C LEU A 124 -3.320 5.145 2.931 1.00 0.65 C ATOM 461 O LEU A 124 -2.323 5.331 3.630 1.00 0.62 O ATOM 462 CB LEU A 124 -3.193 3.995 0.662 1.00 0.76 C ATOM 463 CG LEU A 124 -2.440 3.926 -0.692 1.00 0.76 C ATOM 464 CD1 LEU A 124 -2.198 2.455 -1.044 1.00 0.92 C ATOM 465 CD2 LEU A 124 -3.216 4.604 -1.830 1.00 0.73 C ATOM 0 H LEU A 124 -1.212 5.866 1.433 1.00 0.60 H new ATOM 0 HA LEU A 124 -4.154 5.870 1.089 1.00 0.65 H new ATOM 0 HB2 LEU A 124 -2.737 3.267 1.333 1.00 0.76 H new ATOM 0 HB3 LEU A 124 -4.219 3.670 0.488 1.00 0.76 H new ATOM 0 HG LEU A 124 -1.498 4.462 -0.581 1.00 0.76 H new ATOM 0 HD11 LEU A 124 -1.669 2.391 -1.995 1.00 0.92 H new ATOM 0 HD12 LEU A 124 -1.599 1.988 -0.263 1.00 0.92 H new ATOM 0 HD13 LEU A 124 -3.154 1.938 -1.125 1.00 0.92 H new ATOM 0 HD21 LEU A 124 -2.645 4.528 -2.756 1.00 0.73 H new ATOM 0 HD22 LEU A 124 -4.180 4.112 -1.957 1.00 0.73 H new ATOM 0 HD23 LEU A 124 -3.374 5.655 -1.587 1.00 0.73 H new ATOM 477 N LYS A 125 -4.471 4.698 3.451 1.00 0.72 N ATOM 478 CA LYS A 125 -4.672 4.372 4.884 1.00 0.72 C ATOM 479 C LYS A 125 -4.838 2.851 5.109 1.00 0.56 C ATOM 480 O LYS A 125 -5.964 2.369 5.010 1.00 0.79 O ATOM 481 CB LYS A 125 -5.857 5.174 5.481 1.00 1.11 C ATOM 482 CG LYS A 125 -7.234 5.058 4.780 1.00 2.54 C ATOM 483 CD LYS A 125 -8.414 4.743 5.728 1.00 3.55 C ATOM 484 CE LYS A 125 -8.445 3.272 6.189 1.00 4.85 C ATOM 485 NZ LYS A 125 -9.628 2.943 7.023 1.00 5.90 N ATOM 0 H LYS A 125 -5.306 4.548 2.885 1.00 0.72 H new ATOM 0 HA LYS A 125 -3.771 4.674 5.417 1.00 0.72 H new ATOM 0 HB2 LYS A 125 -5.982 4.864 6.518 1.00 1.11 H new ATOM 0 HB3 LYS A 125 -5.576 6.227 5.495 1.00 1.11 H new ATOM 0 HG2 LYS A 125 -7.442 5.993 4.260 1.00 2.54 H new ATOM 0 HG3 LYS A 125 -7.176 4.278 4.021 1.00 2.54 H new ATOM 0 HD2 LYS A 125 -8.352 5.390 6.603 1.00 3.55 H new ATOM 0 HD3 LYS A 125 -9.351 4.979 5.223 1.00 3.55 H new ATOM 0 HE2 LYS A 125 -8.435 2.624 5.313 1.00 4.85 H new ATOM 0 HE3 LYS A 125 -7.539 3.057 6.755 1.00 4.85 H new ATOM 0 HZ1 LYS A 125 -9.313 2.566 7.939 1.00 5.90 H new ATOM 0 HZ2 LYS A 125 -10.193 3.802 7.178 1.00 5.90 H new ATOM 0 HZ3 LYS A 125 -10.208 2.230 6.536 1.00 5.90 H new ATOM 499 N PRO A 126 -3.764 2.071 5.346 1.00 0.44 N ATOM 500 CA PRO A 126 -3.883 0.622 5.340 1.00 0.85 C ATOM 501 C PRO A 126 -4.537 0.072 6.615 1.00 1.31 C ATOM 502 O PRO A 126 -5.410 -0.758 6.469 1.00 3.15 O ATOM 503 CB PRO A 126 -2.477 0.091 5.070 1.00 0.97 C ATOM 504 CG PRO A 126 -1.549 1.193 5.578 1.00 0.72 C ATOM 505 CD PRO A 126 -2.366 2.476 5.404 1.00 0.53 C ATOM 0 HA PRO A 126 -4.565 0.278 4.562 1.00 0.85 H new ATOM 0 HB2 PRO A 126 -2.300 -0.849 5.593 1.00 0.97 H new ATOM 0 HB3 PRO A 126 -2.322 -0.101 4.008 1.00 0.97 H new ATOM 0 HG2 PRO A 126 -1.274 1.034 6.621 1.00 0.72 H new ATOM 0 HG3 PRO A 126 -0.622 1.229 5.006 1.00 0.72 H new ATOM 0 HD2 PRO A 126 -2.195 3.161 6.235 1.00 0.53 H new ATOM 0 HD3 PRO A 126 -2.076 3.000 4.493 1.00 0.53 H new ATOM 513 N THR A 127 -4.152 0.536 7.814 1.00 1.03 N ATOM 514 CA THR A 127 -4.598 0.167 9.167 1.00 0.92 C ATOM 515 C THR A 127 -4.150 -1.247 9.521 1.00 1.03 C ATOM 516 O THR A 127 -4.117 -2.138 8.680 1.00 1.15 O ATOM 517 CB THR A 127 -6.109 0.319 9.415 1.00 0.98 C ATOM 518 OG1 THR A 127 -6.695 1.359 8.664 1.00 1.06 O ATOM 519 CG2 THR A 127 -6.469 0.602 10.869 1.00 1.06 C ATOM 0 H THR A 127 -3.438 1.263 7.864 1.00 1.03 H new ATOM 0 HA THR A 127 -4.116 0.890 9.825 1.00 0.92 H new ATOM 0 HB THR A 127 -6.498 -0.652 9.109 1.00 0.98 H new ATOM 0 HG1 THR A 127 -7.659 1.203 8.586 1.00 1.06 H new ATOM 0 HG21 THR A 127 -7.551 0.696 10.964 1.00 1.06 H new ATOM 0 HG22 THR A 127 -6.120 -0.218 11.497 1.00 1.06 H new ATOM 0 HG23 THR A 127 -5.994 1.530 11.187 1.00 1.06 H new ATOM 527 N VAL A 128 -3.821 -1.476 10.785 1.00 1.09 N ATOM 528 CA VAL A 128 -3.580 -2.829 11.314 1.00 1.05 C ATOM 529 C VAL A 128 -4.860 -3.675 11.193 1.00 0.76 C ATOM 530 O VAL A 128 -4.832 -4.841 10.792 1.00 0.77 O ATOM 531 CB VAL A 128 -3.069 -2.776 12.763 1.00 1.31 C ATOM 532 CG1 VAL A 128 -4.066 -2.057 13.673 1.00 1.42 C ATOM 533 CG2 VAL A 128 -2.735 -4.183 13.297 1.00 1.28 C ATOM 0 H VAL A 128 -3.712 -0.736 11.479 1.00 1.09 H new ATOM 0 HA VAL A 128 -2.799 -3.304 10.720 1.00 1.05 H new ATOM 0 HB VAL A 128 -2.143 -2.201 12.764 1.00 1.31 H new ATOM 0 HG11 VAL A 128 -3.678 -2.035 14.691 1.00 1.42 H new ATOM 0 HG12 VAL A 128 -4.213 -1.037 13.318 1.00 1.42 H new ATOM 0 HG13 VAL A 128 -5.019 -2.586 13.659 1.00 1.42 H new ATOM 0 HG21 VAL A 128 -2.377 -4.107 14.324 1.00 1.28 H new ATOM 0 HG22 VAL A 128 -3.630 -4.804 13.270 1.00 1.28 H new ATOM 0 HG23 VAL A 128 -1.961 -4.634 12.675 1.00 1.28 H new ATOM 543 N ASN A 129 -5.991 -3.027 11.482 1.00 0.86 N ATOM 544 CA ASN A 129 -7.345 -3.531 11.314 1.00 0.98 C ATOM 545 C ASN A 129 -7.736 -3.737 9.855 1.00 0.94 C ATOM 546 O ASN A 129 -8.665 -4.510 9.620 1.00 1.09 O ATOM 547 CB ASN A 129 -8.312 -2.591 12.055 1.00 1.45 C ATOM 548 CG ASN A 129 -8.065 -2.631 13.559 1.00 1.68 C ATOM 549 OD1 ASN A 129 -8.311 -3.643 14.200 1.00 1.74 O ATOM 550 ND2 ASN A 129 -7.536 -1.572 14.140 1.00 2.02 N ATOM 0 H ASN A 129 -5.979 -2.080 11.862 1.00 0.86 H new ATOM 0 HA ASN A 129 -7.401 -4.528 11.751 1.00 0.98 H new ATOM 0 HB2 ASN A 129 -8.187 -1.572 11.689 1.00 1.45 H new ATOM 0 HB3 ASN A 129 -9.341 -2.881 11.844 1.00 1.45 H new ATOM 0 HD21 ASN A 129 -7.326 -1.589 15.138 1.00 2.02 H new ATOM 0 HD22 ASN A 129 -7.337 -0.736 13.591 1.00 2.02 H new ATOM 557 N GLU A 130 -7.076 -3.101 8.875 1.00 0.78 N ATOM 558 CA GLU A 130 -7.662 -3.027 7.543 1.00 0.61 C ATOM 559 C GLU A 130 -6.622 -3.331 6.478 1.00 0.39 C ATOM 560 O GLU A 130 -5.605 -3.971 6.737 1.00 0.51 O ATOM 561 CB GLU A 130 -8.348 -1.659 7.344 1.00 0.77 C ATOM 562 CG GLU A 130 -9.307 -1.321 8.472 1.00 0.86 C ATOM 563 CD GLU A 130 -9.853 0.094 8.248 1.00 1.44 C ATOM 564 OE1 GLU A 130 -10.633 0.343 7.305 1.00 1.97 O ATOM 565 OE2 GLU A 130 -9.306 1.032 8.873 1.00 2.98 O ATOM 0 H GLU A 130 -6.168 -2.647 8.979 1.00 0.78 H new ATOM 0 HA GLU A 130 -8.433 -3.790 7.442 1.00 0.61 H new ATOM 0 HB2 GLU A 130 -7.587 -0.882 7.273 1.00 0.77 H new ATOM 0 HB3 GLU A 130 -8.890 -1.662 6.399 1.00 0.77 H new ATOM 0 HG2 GLU A 130 -10.125 -2.041 8.501 1.00 0.86 H new ATOM 0 HG3 GLU A 130 -8.796 -1.381 9.433 1.00 0.86 H new ATOM 572 N VAL A 131 -6.940 -2.895 5.266 1.00 0.37 N ATOM 573 CA VAL A 131 -6.138 -2.961 4.063 1.00 0.37 C ATOM 574 C VAL A 131 -6.465 -1.727 3.212 1.00 0.43 C ATOM 575 O VAL A 131 -7.563 -1.175 3.325 1.00 0.52 O ATOM 576 CB VAL A 131 -6.418 -4.261 3.299 1.00 0.38 C ATOM 577 CG1 VAL A 131 -5.919 -5.449 4.113 1.00 0.40 C ATOM 578 CG2 VAL A 131 -7.902 -4.460 2.960 1.00 0.44 C ATOM 0 H VAL A 131 -7.841 -2.450 5.091 1.00 0.37 H new ATOM 0 HA VAL A 131 -5.077 -2.964 4.311 1.00 0.37 H new ATOM 0 HB VAL A 131 -5.885 -4.189 2.351 1.00 0.38 H new ATOM 0 HG11 VAL A 131 -6.119 -6.372 3.569 1.00 0.40 H new ATOM 0 HG12 VAL A 131 -4.846 -5.351 4.280 1.00 0.40 H new ATOM 0 HG13 VAL A 131 -6.435 -5.475 5.073 1.00 0.40 H new ATOM 0 HG21 VAL A 131 -8.029 -5.398 2.420 1.00 0.44 H new ATOM 0 HG22 VAL A 131 -8.485 -4.489 3.881 1.00 0.44 H new ATOM 0 HG23 VAL A 131 -8.247 -3.634 2.338 1.00 0.44 H new ATOM 588 N ALA A 132 -5.552 -1.305 2.336 1.00 0.39 N ATOM 589 CA ALA A 132 -5.819 -0.267 1.332 1.00 0.46 C ATOM 590 C ALA A 132 -5.155 -0.603 -0.007 1.00 0.43 C ATOM 591 O ALA A 132 -3.995 -1.012 -0.021 1.00 0.39 O ATOM 592 CB ALA A 132 -5.343 1.084 1.870 1.00 0.59 C ATOM 0 H ALA A 132 -4.602 -1.674 2.301 1.00 0.39 H new ATOM 0 HA ALA A 132 -6.892 -0.217 1.145 1.00 0.46 H new ATOM 0 HB1 ALA A 132 -5.538 1.860 1.130 1.00 0.59 H new ATOM 0 HB2 ALA A 132 -5.878 1.318 2.790 1.00 0.59 H new ATOM 0 HB3 ALA A 132 -4.273 1.038 2.074 1.00 0.59 H new ATOM 598 N ARG A 133 -5.864 -0.399 -1.127 1.00 0.52 N ATOM 599 CA ARG A 133 -5.270 -0.532 -2.458 1.00 0.45 C ATOM 600 C ARG A 133 -4.871 0.832 -3.011 1.00 0.45 C ATOM 601 O ARG A 133 -5.639 1.792 -2.925 1.00 0.54 O ATOM 602 CB ARG A 133 -6.190 -1.275 -3.442 1.00 0.57 C ATOM 603 CG ARG A 133 -5.350 -1.946 -4.546 1.00 0.65 C ATOM 604 CD ARG A 133 -6.189 -2.658 -5.608 1.00 1.21 C ATOM 605 NE ARG A 133 -6.296 -1.861 -6.841 1.00 1.76 N ATOM 606 CZ ARG A 133 -5.782 -2.171 -8.026 1.00 3.09 C ATOM 607 NH1 ARG A 133 -5.008 -3.213 -8.226 1.00 4.04 N ATOM 608 NH2 ARG A 133 -6.008 -1.406 -9.065 1.00 4.24 N ATOM 0 H ARG A 133 -6.851 -0.141 -1.133 1.00 0.52 H new ATOM 0 HA ARG A 133 -4.372 -1.140 -2.346 1.00 0.45 H new ATOM 0 HB2 ARG A 133 -6.773 -2.027 -2.910 1.00 0.57 H new ATOM 0 HB3 ARG A 133 -6.899 -0.577 -3.887 1.00 0.57 H new ATOM 0 HG2 ARG A 133 -4.732 -1.190 -5.030 1.00 0.65 H new ATOM 0 HG3 ARG A 133 -4.672 -2.666 -4.088 1.00 0.65 H new ATOM 0 HD2 ARG A 133 -5.741 -3.625 -5.837 1.00 1.21 H new ATOM 0 HD3 ARG A 133 -7.186 -2.854 -5.213 1.00 1.21 H new ATOM 0 HE ARG A 133 -6.815 -0.985 -6.779 1.00 1.76 H new ATOM 0 HH11 ARG A 133 -4.774 -3.831 -7.449 1.00 4.04 H new ATOM 0 HH12 ARG A 133 -4.640 -3.404 -9.158 1.00 4.04 H new ATOM 0 HH21 ARG A 133 -6.581 -0.568 -8.966 1.00 4.24 H new ATOM 0 HH22 ARG A 133 -5.611 -1.648 -9.973 1.00 4.24 H new ATOM 622 N CYS A 134 -3.702 0.859 -3.635 1.00 0.41 N ATOM 623 CA CYS A 134 -3.289 1.878 -4.565 1.00 0.46 C ATOM 624 C CYS A 134 -4.220 1.932 -5.793 1.00 0.66 C ATOM 625 O CYS A 134 -4.880 0.960 -6.183 1.00 1.10 O ATOM 626 CB CYS A 134 -1.840 1.527 -4.907 1.00 0.42 C ATOM 627 SG CYS A 134 -0.912 2.710 -5.940 1.00 0.53 S ATOM 0 H CYS A 134 -2.993 0.139 -3.496 1.00 0.41 H new ATOM 0 HA CYS A 134 -3.352 2.883 -4.148 1.00 0.46 H new ATOM 0 HB2 CYS A 134 -1.295 1.397 -3.972 1.00 0.42 H new ATOM 0 HB3 CYS A 134 -1.838 0.562 -5.415 1.00 0.42 H new ATOM 0 HG CYS A 134 0.175 3.066 -5.322 1.00 0.53 H new ATOM 632 N TRP A 135 -4.224 3.103 -6.420 1.00 0.67 N ATOM 633 CA TRP A 135 -4.838 3.333 -7.723 1.00 0.80 C ATOM 634 C TRP A 135 -3.813 3.301 -8.872 1.00 0.84 C ATOM 635 O TRP A 135 -4.215 3.181 -10.023 1.00 1.01 O ATOM 636 CB TRP A 135 -5.596 4.665 -7.655 1.00 0.88 C ATOM 637 CG TRP A 135 -4.775 5.920 -7.664 1.00 0.88 C ATOM 638 CD1 TRP A 135 -4.321 6.608 -6.589 1.00 0.86 C ATOM 639 CD2 TRP A 135 -4.290 6.645 -8.833 1.00 1.01 C ATOM 640 NE1 TRP A 135 -3.686 7.761 -7.021 1.00 0.97 N ATOM 641 CE2 TRP A 135 -3.635 7.834 -8.401 1.00 1.04 C ATOM 642 CE3 TRP A 135 -4.310 6.393 -10.220 1.00 1.15 C ATOM 643 CZ2 TRP A 135 -3.087 8.757 -9.308 1.00 1.19 C ATOM 644 CZ3 TRP A 135 -3.664 7.248 -11.125 1.00 1.27 C ATOM 645 CH2 TRP A 135 -3.078 8.446 -10.679 1.00 1.28 C ATOM 0 H TRP A 135 -3.790 3.939 -6.027 1.00 0.67 H new ATOM 0 HA TRP A 135 -5.533 2.524 -7.948 1.00 0.80 H new ATOM 0 HB2 TRP A 135 -6.285 4.706 -8.499 1.00 0.88 H new ATOM 0 HB3 TRP A 135 -6.202 4.664 -6.749 1.00 0.88 H new ATOM 0 HD1 TRP A 135 -4.436 6.306 -5.559 1.00 0.86 H new ATOM 0 HE1 TRP A 135 -3.302 8.470 -6.397 1.00 0.97 H new ATOM 0 HE3 TRP A 135 -4.833 5.525 -10.593 1.00 1.15 H new ATOM 0 HZ2 TRP A 135 -2.678 9.693 -8.957 1.00 1.19 H new ATOM 0 HZ3 TRP A 135 -3.616 6.985 -12.171 1.00 1.27 H new ATOM 0 HH2 TRP A 135 -2.623 9.124 -11.386 1.00 1.28 H new ATOM 656 N GLU A 136 -2.517 3.405 -8.550 1.00 0.74 N ATOM 657 CA GLU A 136 -1.395 3.637 -9.464 1.00 0.70 C ATOM 658 C GLU A 136 -0.700 2.296 -9.790 1.00 0.79 C ATOM 659 O GLU A 136 -1.103 1.642 -10.745 1.00 1.06 O ATOM 660 CB GLU A 136 -0.484 4.709 -8.814 1.00 0.55 C ATOM 661 CG GLU A 136 -0.624 6.077 -9.472 1.00 0.74 C ATOM 662 CD GLU A 136 0.504 6.406 -10.446 1.00 1.01 C ATOM 663 OE1 GLU A 136 0.605 5.703 -11.468 1.00 1.62 O ATOM 664 OE2 GLU A 136 1.314 7.317 -10.162 1.00 1.51 O ATOM 0 H GLU A 136 -2.206 3.324 -7.582 1.00 0.74 H new ATOM 0 HA GLU A 136 -1.711 4.026 -10.432 1.00 0.70 H new ATOM 0 HB2 GLU A 136 -0.727 4.793 -7.755 1.00 0.55 H new ATOM 0 HB3 GLU A 136 0.555 4.384 -8.877 1.00 0.55 H new ATOM 0 HG2 GLU A 136 -1.575 6.120 -10.003 1.00 0.74 H new ATOM 0 HG3 GLU A 136 -0.657 6.842 -8.696 1.00 0.74 H new ATOM 671 N CYS A 137 0.250 1.794 -8.975 1.00 0.69 N ATOM 672 CA CYS A 137 0.782 0.437 -9.148 1.00 0.79 C ATOM 673 C CYS A 137 -0.268 -0.662 -8.849 1.00 0.86 C ATOM 674 O CYS A 137 -0.078 -1.820 -9.219 1.00 1.28 O ATOM 675 CB CYS A 137 2.053 0.251 -8.295 1.00 0.77 C ATOM 676 SG CYS A 137 1.850 0.407 -6.481 1.00 0.72 S ATOM 0 H CYS A 137 0.660 2.309 -8.196 1.00 0.69 H new ATOM 0 HA CYS A 137 1.045 0.322 -10.200 1.00 0.79 H new ATOM 0 HB2 CYS A 137 2.466 -0.735 -8.509 1.00 0.77 H new ATOM 0 HB3 CYS A 137 2.792 0.983 -8.620 1.00 0.77 H new ATOM 0 HG CYS A 137 0.872 1.224 -6.222 1.00 0.72 H new ATOM 681 N GLY A 138 -1.330 -0.314 -8.112 1.00 0.56 N ATOM 682 CA GLY A 138 -2.421 -1.222 -7.772 1.00 0.59 C ATOM 683 C GLY A 138 -2.065 -2.232 -6.685 1.00 0.58 C ATOM 684 O GLY A 138 -2.774 -3.231 -6.532 1.00 0.71 O ATOM 0 H GLY A 138 -1.453 0.624 -7.731 1.00 0.56 H new ATOM 0 HA2 GLY A 138 -3.280 -0.636 -7.444 1.00 0.59 H new ATOM 0 HA3 GLY A 138 -2.726 -1.760 -8.669 1.00 0.59 H new ATOM 688 N SER A 139 -0.992 -2.024 -5.913 1.00 0.53 N ATOM 689 CA SER A 139 -0.773 -2.888 -4.753 1.00 0.55 C ATOM 690 C SER A 139 -1.853 -2.696 -3.707 1.00 0.44 C ATOM 691 O SER A 139 -2.297 -1.583 -3.457 1.00 0.58 O ATOM 692 CB SER A 139 0.640 -2.800 -4.147 1.00 0.72 C ATOM 693 OG SER A 139 0.642 -2.850 -2.757 1.00 1.94 O ATOM 0 H SER A 139 -0.291 -1.298 -6.061 1.00 0.53 H new ATOM 0 HA SER A 139 -0.846 -3.906 -5.135 1.00 0.55 H new ATOM 0 HB2 SER A 139 1.247 -3.618 -4.535 1.00 0.72 H new ATOM 0 HB3 SER A 139 1.111 -1.872 -4.472 1.00 0.72 H new ATOM 0 HG SER A 139 1.056 -2.036 -2.401 1.00 1.94 H new ATOM 699 N VAL A 140 -2.203 -3.807 -3.067 1.00 0.42 N ATOM 700 CA VAL A 140 -2.912 -3.761 -1.790 1.00 0.38 C ATOM 701 C VAL A 140 -1.835 -3.802 -0.722 1.00 0.38 C ATOM 702 O VAL A 140 -0.892 -4.570 -0.847 1.00 0.48 O ATOM 703 CB VAL A 140 -3.902 -4.933 -1.599 1.00 0.45 C ATOM 704 CG1 VAL A 140 -4.660 -4.862 -0.263 1.00 0.51 C ATOM 705 CG2 VAL A 140 -4.943 -5.011 -2.727 1.00 0.59 C ATOM 0 H VAL A 140 -2.009 -4.748 -3.409 1.00 0.42 H new ATOM 0 HA VAL A 140 -3.524 -2.860 -1.739 1.00 0.38 H new ATOM 0 HB VAL A 140 -3.275 -5.825 -1.612 1.00 0.45 H new ATOM 0 HG11 VAL A 140 -5.340 -5.710 -0.185 1.00 0.51 H new ATOM 0 HG12 VAL A 140 -3.948 -4.891 0.561 1.00 0.51 H new ATOM 0 HG13 VAL A 140 -5.230 -3.934 -0.217 1.00 0.51 H new ATOM 0 HG21 VAL A 140 -5.614 -5.851 -2.545 1.00 0.59 H new ATOM 0 HG22 VAL A 140 -5.519 -4.086 -2.755 1.00 0.59 H new ATOM 0 HG23 VAL A 140 -4.436 -5.152 -3.681 1.00 0.59 H new ATOM 715 N TYR A 141 -1.978 -2.978 0.303 1.00 0.32 N ATOM 716 CA TYR A 141 -1.070 -2.838 1.429 1.00 0.33 C ATOM 717 C TYR A 141 -1.813 -3.161 2.713 1.00 0.36 C ATOM 718 O TYR A 141 -2.945 -2.707 2.900 1.00 0.35 O ATOM 719 CB TYR A 141 -0.578 -1.391 1.508 1.00 0.34 C ATOM 720 CG TYR A 141 0.296 -0.997 0.348 1.00 0.36 C ATOM 721 CD1 TYR A 141 -0.271 -0.502 -0.839 1.00 1.68 C ATOM 722 CD2 TYR A 141 1.682 -1.201 0.440 1.00 1.57 C ATOM 723 CE1 TYR A 141 0.551 -0.180 -1.926 1.00 1.74 C ATOM 724 CE2 TYR A 141 2.513 -0.895 -0.649 1.00 1.55 C ATOM 725 CZ TYR A 141 1.950 -0.379 -1.840 1.00 0.49 C ATOM 726 OH TYR A 141 2.727 -0.199 -2.938 1.00 0.61 O ATOM 0 H TYR A 141 -2.780 -2.351 0.375 1.00 0.32 H new ATOM 0 HA TYR A 141 -0.226 -3.515 1.299 1.00 0.33 H new ATOM 0 HB2 TYR A 141 -1.439 -0.723 1.549 1.00 0.34 H new ATOM 0 HB3 TYR A 141 -0.023 -1.253 2.436 1.00 0.34 H new ATOM 0 HD1 TYR A 141 -1.340 -0.370 -0.913 1.00 1.68 H new ATOM 0 HD2 TYR A 141 2.110 -1.594 1.350 1.00 1.57 H new ATOM 0 HE1 TYR A 141 0.117 0.220 -2.830 1.00 1.74 H new ATOM 0 HE2 TYR A 141 3.579 -1.053 -0.578 1.00 1.55 H new ATOM 0 HH TYR A 141 2.546 0.683 -3.326 1.00 0.61 H new ATOM 736 N LYS A 142 -1.159 -3.898 3.608 1.00 0.55 N ATOM 737 CA LYS A 142 -1.601 -3.996 4.987 1.00 0.37 C ATOM 738 C LYS A 142 -0.678 -3.187 5.892 1.00 0.37 C ATOM 739 O LYS A 142 0.515 -3.057 5.624 1.00 0.54 O ATOM 740 CB LYS A 142 -1.649 -5.467 5.435 1.00 0.46 C ATOM 741 CG LYS A 142 -2.739 -5.515 6.498 1.00 0.45 C ATOM 742 CD LYS A 142 -2.946 -6.810 7.258 1.00 0.77 C ATOM 743 CE LYS A 142 -4.216 -6.447 8.035 1.00 0.91 C ATOM 744 NZ LYS A 142 -4.730 -7.562 8.850 1.00 1.87 N ATOM 0 H LYS A 142 -0.319 -4.436 3.397 1.00 0.55 H new ATOM 0 HA LYS A 142 -2.608 -3.586 5.062 1.00 0.37 H new ATOM 0 HB2 LYS A 142 -1.882 -6.127 4.600 1.00 0.46 H new ATOM 0 HB3 LYS A 142 -0.689 -5.789 5.838 1.00 0.46 H new ATOM 0 HG2 LYS A 142 -2.527 -4.732 7.227 1.00 0.45 H new ATOM 0 HG3 LYS A 142 -3.683 -5.257 6.018 1.00 0.45 H new ATOM 0 HD2 LYS A 142 -3.089 -7.665 6.597 1.00 0.77 H new ATOM 0 HD3 LYS A 142 -2.108 -7.050 7.913 1.00 0.77 H new ATOM 0 HE2 LYS A 142 -4.008 -5.596 8.683 1.00 0.91 H new ATOM 0 HE3 LYS A 142 -4.988 -6.132 7.333 1.00 0.91 H new ATOM 0 HZ1 LYS A 142 -5.589 -7.258 9.352 1.00 1.87 H new ATOM 0 HZ2 LYS A 142 -4.957 -8.368 8.233 1.00 1.87 H new ATOM 0 HZ3 LYS A 142 -4.008 -7.848 9.541 1.00 1.87 H new ATOM 758 N LEU A 143 -1.218 -2.674 6.995 1.00 0.42 N ATOM 759 CA LEU A 143 -0.391 -2.289 8.135 1.00 0.57 C ATOM 760 C LEU A 143 -0.160 -3.523 9.021 1.00 0.72 C ATOM 761 O LEU A 143 -0.478 -4.657 8.665 1.00 1.38 O ATOM 762 CB LEU A 143 -1.036 -1.104 8.870 1.00 0.63 C ATOM 763 CG LEU A 143 -0.122 0.065 9.290 1.00 1.20 C ATOM 764 CD1 LEU A 143 -1.044 1.242 9.609 1.00 0.50 C ATOM 765 CD2 LEU A 143 0.687 -0.168 10.572 1.00 2.25 C ATOM 0 H LEU A 143 -2.218 -2.516 7.123 1.00 0.42 H new ATOM 0 HA LEU A 143 0.591 -1.942 7.813 1.00 0.57 H new ATOM 0 HB2 LEU A 143 -1.822 -0.702 8.231 1.00 0.63 H new ATOM 0 HB3 LEU A 143 -1.520 -1.490 9.767 1.00 0.63 H new ATOM 0 HG LEU A 143 0.585 0.213 8.473 1.00 1.20 H new ATOM 0 HD11 LEU A 143 -0.446 2.101 9.913 1.00 0.50 H new ATOM 0 HD12 LEU A 143 -1.625 1.500 8.723 1.00 0.50 H new ATOM 0 HD13 LEU A 143 -1.720 0.966 10.418 1.00 0.50 H new ATOM 0 HD21 LEU A 143 1.297 0.710 10.782 1.00 2.25 H new ATOM 0 HD22 LEU A 143 0.006 -0.344 11.405 1.00 2.25 H new ATOM 0 HD23 LEU A 143 1.333 -1.036 10.442 1.00 2.25 H new ATOM 777 N ASN A 144 0.425 -3.269 10.174 1.00 0.41 N ATOM 778 CA ASN A 144 0.873 -4.241 11.153 1.00 0.52 C ATOM 779 C ASN A 144 0.649 -3.689 12.573 1.00 0.63 C ATOM 780 O ASN A 144 0.390 -2.505 12.765 1.00 0.67 O ATOM 781 CB ASN A 144 2.368 -4.506 10.884 1.00 0.73 C ATOM 782 CG ASN A 144 2.815 -5.952 10.685 1.00 2.11 C ATOM 783 OD1 ASN A 144 2.062 -6.904 10.810 1.00 4.26 O ATOM 784 ND2 ASN A 144 4.097 -6.143 10.457 1.00 1.93 N ATOM 0 H ASN A 144 0.613 -2.312 10.473 1.00 0.41 H new ATOM 0 HA ASN A 144 0.313 -5.173 11.074 1.00 0.52 H new ATOM 0 HB2 ASN A 144 2.652 -3.943 9.995 1.00 0.73 H new ATOM 0 HB3 ASN A 144 2.936 -4.093 11.718 1.00 0.73 H new ATOM 0 HD21 ASN A 144 4.466 -7.091 10.384 1.00 1.93 H new ATOM 0 HD22 ASN A 144 4.721 -5.343 10.353 1.00 1.93 H new ATOM 791 N PRO A 145 0.797 -4.538 13.596 1.00 0.96 N ATOM 792 CA PRO A 145 0.349 -4.301 14.965 1.00 1.00 C ATOM 793 C PRO A 145 1.379 -3.611 15.861 1.00 0.97 C ATOM 794 O PRO A 145 1.197 -3.424 17.058 1.00 1.24 O ATOM 795 CB PRO A 145 0.124 -5.725 15.399 1.00 1.33 C ATOM 796 CG PRO A 145 1.358 -6.453 14.897 1.00 1.51 C ATOM 797 CD PRO A 145 1.407 -5.855 13.503 1.00 1.54 C ATOM 0 HA PRO A 145 -0.504 -3.626 15.031 1.00 1.00 H new ATOM 0 HB2 PRO A 145 0.026 -5.803 16.482 1.00 1.33 H new ATOM 0 HB3 PRO A 145 -0.788 -6.136 14.966 1.00 1.33 H new ATOM 0 HG2 PRO A 145 2.249 -6.234 15.485 1.00 1.51 H new ATOM 0 HG3 PRO A 145 1.239 -7.536 14.891 1.00 1.51 H new ATOM 0 HD2 PRO A 145 2.435 -5.782 13.148 1.00 1.54 H new ATOM 0 HD3 PRO A 145 0.869 -6.482 12.793 1.00 1.54 H new ATOM 805 N VAL A 146 2.490 -3.329 15.214 1.00 1.03 N ATOM 806 CA VAL A 146 3.689 -2.621 15.610 1.00 1.29 C ATOM 807 C VAL A 146 3.410 -1.361 16.460 1.00 1.72 C ATOM 808 O VAL A 146 2.447 -0.629 16.232 1.00 2.33 O ATOM 809 CB VAL A 146 4.487 -2.350 14.320 1.00 1.29 C ATOM 810 CG1 VAL A 146 3.801 -1.301 13.443 1.00 1.56 C ATOM 811 CG2 VAL A 146 5.960 -2.129 14.591 1.00 1.93 C ATOM 0 H VAL A 146 2.584 -3.641 14.248 1.00 1.03 H new ATOM 0 HA VAL A 146 4.284 -3.230 16.290 1.00 1.29 H new ATOM 0 HB VAL A 146 4.478 -3.253 13.710 1.00 1.29 H new ATOM 0 HG11 VAL A 146 4.393 -1.136 12.543 1.00 1.56 H new ATOM 0 HG12 VAL A 146 2.807 -1.653 13.165 1.00 1.56 H new ATOM 0 HG13 VAL A 146 3.713 -0.366 13.996 1.00 1.56 H new ATOM 0 HG21 VAL A 146 6.479 -1.942 13.651 1.00 1.93 H new ATOM 0 HG22 VAL A 146 6.084 -1.270 15.251 1.00 1.93 H new ATOM 0 HG23 VAL A 146 6.379 -3.015 15.067 1.00 1.93 H new ATOM 821 N GLY A 147 4.274 -1.114 17.444 1.00 1.67 N ATOM 822 CA GLY A 147 4.134 -0.180 18.544 1.00 1.69 C ATOM 823 C GLY A 147 5.433 -0.163 19.348 1.00 1.67 C ATOM 824 O GLY A 147 6.382 -0.892 19.054 1.00 1.76 O ATOM 0 H GLY A 147 5.165 -1.609 17.489 1.00 1.67 H new ATOM 0 HA2 GLY A 147 3.912 0.818 18.165 1.00 1.69 H new ATOM 0 HA3 GLY A 147 3.300 -0.472 19.182 1.00 1.69 H new