USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, 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 NoAdj-H: A 119 HIS HE2 : A 119 HIS NE2 : A 156 ZNZN :(H bumps) USER MOD Set 1.1: A 114 SER OG : rot 180:sc= -0.186 USER MOD Set 1.2: A 139 SER OG : rot 53:sc= 0.85 USER MOD Set 1.3: A 141 TYR OH : rot 177:sc= 0.854 USER MOD Set 2.1: A 125 LYS NZ :NH3+ 143:sc= 1.18 (180deg=1.03) USER MOD Set 2.2: A 127 THR OG1 : rot 5:sc= 0.364 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.17) USER MOD Single : A 102 SER OG : rot -145:sc= 1.01 USER MOD Single : A 103 TYR OH : rot 158:sc= 1.26 USER MOD Single : A 106 TYR OH : rot -43:sc= 0.853 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 118 SER OG : rot 38:sc= 1.27 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 122 MET CE :methyl -157:sc= -1.67! (180deg=-2.89!) USER MOD Single : A 129 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 168:sc= 1.85 (180deg=1.67) USER MOD Single : A 144 ASN : amide:sc= -4.27 K(o=-4.3,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.389 -8.215 -0.691 1.00 0.81 N ATOM 2 CA MET A 94 -6.027 -8.100 0.629 1.00 0.77 C ATOM 3 C MET A 94 -5.787 -9.197 1.656 1.00 0.88 C ATOM 4 O MET A 94 -6.294 -9.136 2.768 1.00 1.63 O ATOM 5 CB MET A 94 -7.536 -8.053 0.423 1.00 0.82 C ATOM 6 CG MET A 94 -7.945 -7.047 -0.647 1.00 0.79 C ATOM 7 SD MET A 94 -9.559 -6.269 -0.403 1.00 0.96 S ATOM 8 CE MET A 94 -9.143 -4.563 -0.830 1.00 3.14 C ATOM 0 HA MET A 94 -5.563 -7.206 1.046 1.00 0.77 H new ATOM 0 HB2 MET A 94 -7.893 -9.044 0.142 1.00 0.82 H new ATOM 0 HB3 MET A 94 -8.021 -7.795 1.365 1.00 0.82 H new ATOM 0 HG2 MET A 94 -7.187 -6.265 -0.695 1.00 0.79 H new ATOM 0 HG3 MET A 94 -7.946 -7.550 -1.614 1.00 0.79 H new ATOM 0 HE1 MET A 94 -10.030 -3.937 -0.734 1.00 3.14 H new ATOM 0 HE2 MET A 94 -8.367 -4.198 -0.157 1.00 3.14 H new ATOM 0 HE3 MET A 94 -8.781 -4.523 -1.857 1.00 3.14 H new ATOM 18 N LYS A 95 -5.023 -10.206 1.288 1.00 1.35 N ATOM 19 CA LYS A 95 -4.405 -11.097 2.252 1.00 1.44 C ATOM 20 C LYS A 95 -3.477 -10.310 3.179 1.00 1.20 C ATOM 21 O LYS A 95 -3.837 -9.970 4.307 1.00 1.41 O ATOM 22 CB LYS A 95 -3.799 -12.282 1.466 1.00 1.64 C ATOM 23 CG LYS A 95 -2.888 -11.904 0.276 1.00 1.54 C ATOM 24 CD LYS A 95 -1.457 -12.378 0.538 1.00 1.58 C ATOM 25 CE LYS A 95 -0.422 -11.909 -0.491 1.00 1.65 C ATOM 26 NZ LYS A 95 0.961 -12.187 -0.015 1.00 2.45 N ATOM 0 H LYS A 95 -4.813 -10.432 0.316 1.00 1.35 H new ATOM 0 HA LYS A 95 -5.112 -11.544 2.951 1.00 1.44 H new ATOM 0 HB2 LYS A 95 -3.224 -12.897 2.159 1.00 1.64 H new ATOM 0 HB3 LYS A 95 -4.615 -12.901 1.092 1.00 1.64 H new ATOM 0 HG2 LYS A 95 -3.267 -12.356 -0.640 1.00 1.54 H new ATOM 0 HG3 LYS A 95 -2.900 -10.824 0.127 1.00 1.54 H new ATOM 0 HD2 LYS A 95 -1.150 -12.031 1.525 1.00 1.58 H new ATOM 0 HD3 LYS A 95 -1.451 -13.468 0.567 1.00 1.58 H new ATOM 0 HE2 LYS A 95 -0.593 -12.415 -1.441 1.00 1.65 H new ATOM 0 HE3 LYS A 95 -0.541 -10.841 -0.672 1.00 1.65 H new ATOM 0 HZ1 LYS A 95 1.646 -11.801 -0.695 1.00 2.45 H new ATOM 0 HZ2 LYS A 95 1.105 -11.740 0.913 1.00 2.45 H new ATOM 0 HZ3 LYS A 95 1.099 -13.214 0.070 1.00 2.45 H new ATOM 40 N ASP A 96 -2.283 -10.039 2.683 1.00 1.09 N ATOM 41 CA ASP A 96 -1.094 -9.644 3.424 1.00 0.84 C ATOM 42 C ASP A 96 0.083 -9.507 2.413 1.00 0.81 C ATOM 43 O ASP A 96 0.809 -10.466 2.137 1.00 0.98 O ATOM 44 CB ASP A 96 -0.901 -10.640 4.564 1.00 0.92 C ATOM 45 CG ASP A 96 -0.039 -10.050 5.675 1.00 1.11 C ATOM 46 OD1 ASP A 96 1.081 -9.608 5.354 1.00 1.76 O ATOM 47 OD2 ASP A 96 -0.602 -9.909 6.790 1.00 2.38 O ATOM 0 H ASP A 96 -2.104 -10.092 1.680 1.00 1.09 H new ATOM 0 HA ASP A 96 -1.170 -8.668 3.904 1.00 0.84 H new ATOM 0 HB2 ASP A 96 -1.872 -10.927 4.968 1.00 0.92 H new ATOM 0 HB3 ASP A 96 -0.434 -11.548 4.182 1.00 0.92 H new ATOM 52 N PRO A 97 0.098 -8.381 1.671 1.00 0.74 N ATOM 53 CA PRO A 97 0.855 -8.146 0.434 1.00 0.79 C ATOM 54 C PRO A 97 2.224 -7.477 0.617 1.00 0.78 C ATOM 55 O PRO A 97 3.239 -7.966 0.133 1.00 0.98 O ATOM 56 CB PRO A 97 -0.050 -7.196 -0.364 1.00 0.76 C ATOM 57 CG PRO A 97 -0.827 -6.407 0.696 1.00 0.65 C ATOM 58 CD PRO A 97 -0.976 -7.418 1.801 1.00 0.70 C ATOM 0 HA PRO A 97 1.082 -9.102 -0.038 1.00 0.79 H new ATOM 0 HB2 PRO A 97 0.537 -6.532 -0.999 1.00 0.76 H new ATOM 0 HB3 PRO A 97 -0.724 -7.749 -1.018 1.00 0.76 H new ATOM 0 HG2 PRO A 97 -0.282 -5.522 1.025 1.00 0.65 H new ATOM 0 HG3 PRO A 97 -1.793 -6.067 0.323 1.00 0.65 H new ATOM 0 HD2 PRO A 97 -0.934 -6.929 2.774 1.00 0.70 H new ATOM 0 HD3 PRO A 97 -1.944 -7.915 1.736 1.00 0.70 H new ATOM 66 N ILE A 98 2.192 -6.302 1.238 1.00 0.71 N ATOM 67 CA ILE A 98 3.213 -5.289 1.448 1.00 0.73 C ATOM 68 C ILE A 98 2.937 -4.786 2.853 1.00 0.70 C ATOM 69 O ILE A 98 1.778 -4.610 3.225 1.00 0.63 O ATOM 70 CB ILE A 98 3.084 -4.088 0.491 1.00 0.69 C ATOM 71 CG1 ILE A 98 2.684 -4.402 -0.983 1.00 0.70 C ATOM 72 CG2 ILE A 98 4.365 -3.245 0.654 1.00 0.76 C ATOM 73 CD1 ILE A 98 3.818 -4.430 -2.000 1.00 0.71 C ATOM 0 H ILE A 98 1.318 -5.999 1.667 1.00 0.71 H new ATOM 0 HA ILE A 98 4.204 -5.713 1.284 1.00 0.73 H new ATOM 0 HB ILE A 98 2.207 -3.510 0.782 1.00 0.69 H new ATOM 0 HG12 ILE A 98 2.183 -5.370 -1.003 1.00 0.70 H new ATOM 0 HG13 ILE A 98 1.954 -3.659 -1.305 1.00 0.70 H new ATOM 0 HG21 ILE A 98 4.318 -2.380 -0.007 1.00 0.76 H new ATOM 0 HG22 ILE A 98 4.450 -2.908 1.687 1.00 0.76 H new ATOM 0 HG23 ILE A 98 5.234 -3.851 0.398 1.00 0.76 H new ATOM 0 HD11 ILE A 98 3.416 -4.658 -2.987 1.00 0.71 H new ATOM 0 HD12 ILE A 98 4.309 -3.457 -2.024 1.00 0.71 H new ATOM 0 HD13 ILE A 98 4.541 -5.195 -1.717 1.00 0.71 H new ATOM 85 N ILE A 99 3.984 -4.524 3.608 1.00 0.73 N ATOM 86 CA ILE A 99 3.891 -4.122 5.005 1.00 0.69 C ATOM 87 C ILE A 99 4.329 -2.680 5.173 1.00 0.68 C ATOM 88 O ILE A 99 5.337 -2.257 4.619 1.00 0.77 O ATOM 89 CB ILE A 99 4.714 -5.089 5.873 1.00 0.75 C ATOM 90 CG1 ILE A 99 4.087 -6.498 5.839 1.00 0.79 C ATOM 91 CG2 ILE A 99 4.853 -4.589 7.317 1.00 0.73 C ATOM 92 CD1 ILE A 99 2.854 -6.692 6.733 1.00 0.76 C ATOM 0 H ILE A 99 4.943 -4.584 3.266 1.00 0.73 H new ATOM 0 HA ILE A 99 2.854 -4.176 5.337 1.00 0.69 H new ATOM 0 HB ILE A 99 5.719 -5.138 5.454 1.00 0.75 H new ATOM 0 HG12 ILE A 99 3.809 -6.729 4.811 1.00 0.79 H new ATOM 0 HG13 ILE A 99 4.846 -7.222 6.134 1.00 0.79 H new ATOM 0 HG21 ILE A 99 5.441 -5.302 7.894 1.00 0.73 H new ATOM 0 HG22 ILE A 99 5.353 -3.620 7.320 1.00 0.73 H new ATOM 0 HG23 ILE A 99 3.864 -4.489 7.764 1.00 0.73 H new ATOM 0 HD11 ILE A 99 2.491 -7.715 6.636 1.00 0.76 H new ATOM 0 HD12 ILE A 99 3.124 -6.500 7.771 1.00 0.76 H new ATOM 0 HD13 ILE A 99 2.070 -5.999 6.427 1.00 0.76 H new ATOM 104 N ILE A 100 3.554 -1.942 5.958 1.00 0.60 N ATOM 105 CA ILE A 100 3.720 -0.525 6.259 1.00 0.67 C ATOM 106 C ILE A 100 3.802 -0.419 7.774 1.00 0.72 C ATOM 107 O ILE A 100 2.795 -0.533 8.475 1.00 0.79 O ATOM 108 CB ILE A 100 2.539 0.247 5.640 1.00 0.57 C ATOM 109 CG1 ILE A 100 2.520 0.040 4.093 1.00 0.53 C ATOM 110 CG2 ILE A 100 2.566 1.739 6.019 1.00 0.75 C ATOM 111 CD1 ILE A 100 3.808 0.485 3.382 1.00 0.64 C ATOM 0 H ILE A 100 2.743 -2.341 6.431 1.00 0.60 H new ATOM 0 HA ILE A 100 4.623 -0.087 5.835 1.00 0.67 H new ATOM 0 HB ILE A 100 1.613 -0.155 6.052 1.00 0.57 H new ATOM 0 HG12 ILE A 100 2.347 -1.015 3.881 1.00 0.53 H new ATOM 0 HG13 ILE A 100 1.678 0.591 3.674 1.00 0.53 H new ATOM 0 HG21 ILE A 100 1.716 2.246 5.562 1.00 0.75 H new ATOM 0 HG22 ILE A 100 2.509 1.840 7.103 1.00 0.75 H new ATOM 0 HG23 ILE A 100 3.492 2.189 5.661 1.00 0.75 H new ATOM 0 HD11 ILE A 100 3.712 0.307 2.311 1.00 0.64 H new ATOM 0 HD12 ILE A 100 3.973 1.548 3.560 1.00 0.64 H new ATOM 0 HD13 ILE A 100 4.653 -0.084 3.770 1.00 0.64 H new ATOM 123 N GLU A 101 5.046 -0.296 8.232 1.00 0.75 N ATOM 124 CA GLU A 101 5.444 -0.518 9.618 1.00 0.73 C ATOM 125 C GLU A 101 5.088 0.692 10.475 1.00 0.75 C ATOM 126 O GLU A 101 5.482 1.813 10.152 1.00 1.05 O ATOM 127 CB GLU A 101 6.920 -0.929 9.717 1.00 0.92 C ATOM 128 CG GLU A 101 7.173 -1.698 11.013 1.00 0.85 C ATOM 129 CD GLU A 101 8.595 -2.240 11.097 1.00 1.44 C ATOM 130 OE1 GLU A 101 8.847 -3.246 10.397 1.00 2.20 O ATOM 131 OE2 GLU A 101 9.382 -1.662 11.878 1.00 2.56 O ATOM 0 H GLU A 101 5.826 -0.031 7.631 1.00 0.75 H new ATOM 0 HA GLU A 101 4.879 -1.359 10.019 1.00 0.73 H new ATOM 0 HB2 GLU A 101 7.190 -1.547 8.861 1.00 0.92 H new ATOM 0 HB3 GLU A 101 7.554 -0.043 9.683 1.00 0.92 H new ATOM 0 HG2 GLU A 101 6.986 -1.043 11.864 1.00 0.85 H new ATOM 0 HG3 GLU A 101 6.467 -2.525 11.086 1.00 0.85 H new ATOM 138 N SER A 102 4.255 0.494 11.501 1.00 0.72 N ATOM 139 CA SER A 102 3.451 1.619 11.975 1.00 0.81 C ATOM 140 C SER A 102 3.843 2.161 13.350 1.00 1.23 C ATOM 141 O SER A 102 4.271 3.305 13.433 1.00 2.76 O ATOM 142 CB SER A 102 1.976 1.240 11.889 1.00 0.98 C ATOM 143 OG SER A 102 1.192 2.411 11.987 1.00 1.65 O ATOM 0 H SER A 102 4.123 -0.388 11.997 1.00 0.72 H new ATOM 0 HA SER A 102 3.655 2.463 11.316 1.00 0.81 H new ATOM 0 HB2 SER A 102 1.773 0.729 10.948 1.00 0.98 H new ATOM 0 HB3 SER A 102 1.718 0.547 12.690 1.00 0.98 H new ATOM 0 HG SER A 102 0.363 2.210 12.469 1.00 1.65 H new ATOM 149 N TYR A 103 3.680 1.384 14.425 1.00 0.96 N ATOM 150 CA TYR A 103 3.831 1.786 15.841 1.00 0.94 C ATOM 151 C TYR A 103 2.679 2.698 16.325 1.00 0.99 C ATOM 152 O TYR A 103 2.699 3.226 17.433 1.00 1.25 O ATOM 153 CB TYR A 103 5.258 2.289 16.141 1.00 1.15 C ATOM 154 CG TYR A 103 6.358 1.314 15.725 1.00 1.24 C ATOM 155 CD1 TYR A 103 6.756 0.274 16.592 1.00 1.87 C ATOM 156 CD2 TYR A 103 6.937 1.392 14.441 1.00 2.23 C ATOM 157 CE1 TYR A 103 7.753 -0.640 16.199 1.00 2.07 C ATOM 158 CE2 TYR A 103 7.904 0.456 14.029 1.00 2.40 C ATOM 159 CZ TYR A 103 8.317 -0.567 14.910 1.00 1.77 C ATOM 160 OH TYR A 103 9.212 -1.512 14.513 1.00 2.14 O ATOM 0 H TYR A 103 3.425 0.401 14.333 1.00 0.96 H new ATOM 0 HA TYR A 103 3.723 0.897 16.462 1.00 0.94 H new ATOM 0 HB2 TYR A 103 5.414 3.238 15.628 1.00 1.15 H new ATOM 0 HB3 TYR A 103 5.346 2.487 17.209 1.00 1.15 H new ATOM 0 HD1 TYR A 103 6.293 0.178 17.563 1.00 1.87 H new ATOM 0 HD2 TYR A 103 6.635 2.179 13.766 1.00 2.23 H new ATOM 0 HE1 TYR A 103 8.087 -1.401 16.889 1.00 2.07 H new ATOM 0 HE2 TYR A 103 8.330 0.520 13.039 1.00 2.40 H new ATOM 0 HH TYR A 103 9.247 -1.539 13.534 1.00 2.14 H new ATOM 170 N ASP A 104 1.648 2.772 15.480 1.00 0.91 N ATOM 171 CA ASP A 104 0.278 3.242 15.703 1.00 0.89 C ATOM 172 C ASP A 104 -0.667 2.262 14.978 1.00 1.11 C ATOM 173 O ASP A 104 -0.293 1.686 13.958 1.00 2.21 O ATOM 174 CB ASP A 104 0.082 4.633 15.075 1.00 0.86 C ATOM 175 CG ASP A 104 0.728 5.791 15.839 1.00 1.35 C ATOM 176 OD1 ASP A 104 0.212 6.150 16.921 1.00 2.83 O ATOM 177 OD2 ASP A 104 1.692 6.378 15.289 1.00 1.85 O ATOM 0 H ASP A 104 1.767 2.470 14.513 1.00 0.91 H new ATOM 0 HA ASP A 104 0.076 3.296 16.773 1.00 0.89 H new ATOM 0 HB2 ASP A 104 0.486 4.617 14.063 1.00 0.86 H new ATOM 0 HB3 ASP A 104 -0.987 4.827 14.989 1.00 0.86 H new ATOM 182 N ASP A 105 -1.914 2.114 15.423 1.00 0.89 N ATOM 183 CA ASP A 105 -2.949 1.332 14.716 1.00 0.78 C ATOM 184 C ASP A 105 -3.447 2.019 13.416 1.00 0.77 C ATOM 185 O ASP A 105 -4.170 1.420 12.616 1.00 0.91 O ATOM 186 CB ASP A 105 -4.101 1.080 15.705 1.00 0.88 C ATOM 187 CG ASP A 105 -3.783 0.019 16.770 1.00 1.97 C ATOM 188 OD1 ASP A 105 -3.280 -1.065 16.400 1.00 3.15 O ATOM 189 OD2 ASP A 105 -4.126 0.283 17.945 1.00 2.73 O ATOM 0 H ASP A 105 -2.246 2.534 16.291 1.00 0.89 H new ATOM 0 HA ASP A 105 -2.518 0.387 14.384 1.00 0.78 H new ATOM 0 HB2 ASP A 105 -4.352 2.017 16.202 1.00 0.88 H new ATOM 0 HB3 ASP A 105 -4.984 0.769 15.148 1.00 0.88 H new ATOM 194 N TYR A 106 -3.046 3.277 13.195 1.00 0.86 N ATOM 195 CA TYR A 106 -3.611 4.238 12.242 1.00 1.09 C ATOM 196 C TYR A 106 -2.504 5.084 11.570 1.00 1.34 C ATOM 197 O TYR A 106 -1.997 6.041 12.148 1.00 2.88 O ATOM 198 CB TYR A 106 -4.641 5.126 12.992 1.00 1.36 C ATOM 199 CG TYR A 106 -4.237 5.498 14.418 1.00 1.44 C ATOM 200 CD1 TYR A 106 -3.370 6.577 14.671 1.00 2.42 C ATOM 201 CD2 TYR A 106 -4.620 4.659 15.484 1.00 2.18 C ATOM 202 CE1 TYR A 106 -2.759 6.716 15.930 1.00 2.68 C ATOM 203 CE2 TYR A 106 -4.035 4.808 16.757 1.00 2.42 C ATOM 204 CZ TYR A 106 -3.054 5.802 16.963 1.00 2.14 C ATOM 205 OH TYR A 106 -2.336 5.834 18.116 1.00 2.69 O ATOM 0 H TYR A 106 -2.264 3.677 13.714 1.00 0.86 H new ATOM 0 HA TYR A 106 -4.116 3.704 11.437 1.00 1.09 H new ATOM 0 HB2 TYR A 106 -4.796 6.042 12.421 1.00 1.36 H new ATOM 0 HB3 TYR A 106 -5.597 4.604 13.023 1.00 1.36 H new ATOM 0 HD1 TYR A 106 -3.173 7.302 13.895 1.00 2.42 H new ATOM 0 HD2 TYR A 106 -5.368 3.896 15.324 1.00 2.18 H new ATOM 0 HE1 TYR A 106 -2.063 7.523 16.106 1.00 2.68 H new ATOM 0 HE2 TYR A 106 -4.336 4.165 17.571 1.00 2.42 H new ATOM 0 HH TYR A 106 -1.385 5.942 17.906 1.00 2.69 H new ATOM 215 N ARG A 107 -2.165 4.789 10.304 1.00 0.67 N ATOM 216 CA ARG A 107 -1.219 5.583 9.493 1.00 0.77 C ATOM 217 C ARG A 107 -1.557 5.542 7.999 1.00 0.90 C ATOM 218 O ARG A 107 -2.383 4.748 7.553 1.00 1.36 O ATOM 219 CB ARG A 107 0.243 5.136 9.730 1.00 0.90 C ATOM 220 CG ARG A 107 0.766 5.593 11.097 1.00 1.38 C ATOM 221 CD ARG A 107 2.280 5.457 11.235 1.00 1.55 C ATOM 222 NE ARG A 107 2.715 5.950 12.549 1.00 2.35 N ATOM 223 CZ ARG A 107 3.960 6.123 12.960 1.00 2.92 C ATOM 224 NH1 ARG A 107 4.997 5.811 12.212 1.00 3.42 N ATOM 225 NH2 ARG A 107 4.167 6.569 14.174 1.00 3.93 N ATOM 0 H ARG A 107 -2.543 3.983 9.806 1.00 0.67 H new ATOM 0 HA ARG A 107 -1.321 6.617 9.824 1.00 0.77 H new ATOM 0 HB2 ARG A 107 0.306 4.050 9.662 1.00 0.90 H new ATOM 0 HB3 ARG A 107 0.879 5.542 8.944 1.00 0.90 H new ATOM 0 HG2 ARG A 107 0.485 6.634 11.258 1.00 1.38 H new ATOM 0 HG3 ARG A 107 0.282 5.008 11.879 1.00 1.38 H new ATOM 0 HD2 ARG A 107 2.571 4.414 11.115 1.00 1.55 H new ATOM 0 HD3 ARG A 107 2.777 6.020 10.444 1.00 1.55 H new ATOM 0 HE ARG A 107 1.979 6.184 13.215 1.00 2.35 H new ATOM 0 HH11 ARG A 107 4.855 5.421 11.280 1.00 3.42 H new ATOM 0 HH12 ARG A 107 5.943 5.959 12.564 1.00 3.42 H new ATOM 0 HH21 ARG A 107 3.375 6.776 14.783 1.00 3.93 H new ATOM 0 HH22 ARG A 107 5.120 6.709 14.510 1.00 3.93 H new ATOM 239 N TYR A 108 -0.909 6.405 7.213 1.00 0.74 N ATOM 240 CA TYR A 108 -0.898 6.323 5.751 1.00 0.69 C ATOM 241 C TYR A 108 0.440 5.770 5.232 1.00 0.62 C ATOM 242 O TYR A 108 1.448 5.813 5.933 1.00 0.73 O ATOM 243 CB TYR A 108 -1.278 7.675 5.121 1.00 0.85 C ATOM 244 CG TYR A 108 -0.152 8.676 5.134 1.00 0.89 C ATOM 245 CD1 TYR A 108 0.069 9.460 6.280 1.00 2.14 C ATOM 246 CD2 TYR A 108 0.729 8.750 4.039 1.00 2.01 C ATOM 247 CE1 TYR A 108 1.190 10.303 6.348 1.00 2.42 C ATOM 248 CE2 TYR A 108 1.865 9.571 4.118 1.00 1.89 C ATOM 249 CZ TYR A 108 2.098 10.360 5.268 1.00 1.28 C ATOM 250 OH TYR A 108 3.189 11.169 5.337 1.00 1.57 O ATOM 0 H TYR A 108 -0.370 7.190 7.579 1.00 0.74 H new ATOM 0 HA TYR A 108 -1.661 5.610 5.439 1.00 0.69 H new ATOM 0 HB2 TYR A 108 -1.598 7.511 4.092 1.00 0.85 H new ATOM 0 HB3 TYR A 108 -2.131 8.091 5.657 1.00 0.85 H new ATOM 0 HD1 TYR A 108 -0.623 9.414 7.108 1.00 2.14 H new ATOM 0 HD2 TYR A 108 0.532 8.179 3.144 1.00 2.01 H new ATOM 0 HE1 TYR A 108 1.358 10.908 7.227 1.00 2.42 H new ATOM 0 HE2 TYR A 108 2.565 9.600 3.296 1.00 1.89 H new ATOM 0 HH TYR A 108 3.709 11.088 4.511 1.00 1.57 H new ATOM 260 N VAL A 109 0.422 5.234 4.015 1.00 0.55 N ATOM 261 CA VAL A 109 1.611 4.853 3.238 1.00 0.53 C ATOM 262 C VAL A 109 1.900 5.898 2.168 1.00 0.52 C ATOM 263 O VAL A 109 0.969 6.380 1.534 1.00 0.53 O ATOM 264 CB VAL A 109 1.458 3.471 2.575 1.00 0.63 C ATOM 265 CG1 VAL A 109 0.196 3.292 1.741 1.00 0.71 C ATOM 266 CG2 VAL A 109 2.661 3.157 1.686 1.00 0.87 C ATOM 0 H VAL A 109 -0.449 5.044 3.520 1.00 0.55 H new ATOM 0 HA VAL A 109 2.444 4.797 3.939 1.00 0.53 H new ATOM 0 HB VAL A 109 1.388 2.780 3.415 1.00 0.63 H new ATOM 0 HG11 VAL A 109 0.180 2.288 1.317 1.00 0.71 H new ATOM 0 HG12 VAL A 109 -0.681 3.433 2.373 1.00 0.71 H new ATOM 0 HG13 VAL A 109 0.185 4.027 0.936 1.00 0.71 H new ATOM 0 HG21 VAL A 109 2.530 2.176 1.229 1.00 0.87 H new ATOM 0 HG22 VAL A 109 2.744 3.913 0.905 1.00 0.87 H new ATOM 0 HG23 VAL A 109 3.569 3.158 2.289 1.00 0.87 H new ATOM 276 N GLY A 110 3.184 6.182 1.956 1.00 0.59 N ATOM 277 CA GLY A 110 3.703 6.973 0.839 1.00 0.74 C ATOM 278 C GLY A 110 4.421 6.123 -0.207 1.00 0.82 C ATOM 279 O GLY A 110 5.651 6.123 -0.210 1.00 1.19 O ATOM 0 H GLY A 110 3.921 5.855 2.581 1.00 0.59 H new ATOM 0 HA2 GLY A 110 2.879 7.506 0.364 1.00 0.74 H new ATOM 0 HA3 GLY A 110 4.391 7.726 1.222 1.00 0.74 H new ATOM 283 N CYS A 111 3.703 5.420 -1.096 1.00 0.59 N ATOM 284 CA CYS A 111 4.324 4.607 -2.134 1.00 0.61 C ATOM 285 C CYS A 111 4.466 5.337 -3.469 1.00 0.58 C ATOM 286 O CYS A 111 3.581 6.061 -3.950 1.00 0.52 O ATOM 287 CB CYS A 111 3.566 3.291 -2.306 1.00 0.63 C ATOM 288 SG CYS A 111 1.985 3.367 -3.237 1.00 1.45 S ATOM 0 H CYS A 111 2.683 5.404 -1.110 1.00 0.59 H new ATOM 0 HA CYS A 111 5.339 4.393 -1.799 1.00 0.61 H new ATOM 0 HB2 CYS A 111 4.224 2.582 -2.809 1.00 0.63 H new ATOM 0 HB3 CYS A 111 3.359 2.885 -1.316 1.00 0.63 H new ATOM 293 N THR A 112 5.596 5.029 -4.101 1.00 0.71 N ATOM 294 CA THR A 112 5.893 5.398 -5.478 1.00 0.64 C ATOM 295 C THR A 112 5.798 4.214 -6.420 1.00 0.65 C ATOM 296 O THR A 112 6.331 4.259 -7.517 1.00 0.68 O ATOM 297 CB THR A 112 7.245 6.101 -5.582 1.00 0.71 C ATOM 298 OG1 THR A 112 8.247 5.321 -4.965 1.00 0.82 O ATOM 299 CG2 THR A 112 7.141 7.421 -4.832 1.00 0.75 C ATOM 0 H THR A 112 6.348 4.503 -3.656 1.00 0.71 H new ATOM 0 HA THR A 112 5.129 6.108 -5.795 1.00 0.64 H new ATOM 0 HB THR A 112 7.501 6.254 -6.630 1.00 0.71 H new ATOM 0 HG1 THR A 112 9.110 5.779 -5.039 1.00 0.82 H new ATOM 0 HG21 THR A 112 8.094 7.948 -4.888 1.00 0.75 H new ATOM 0 HG22 THR A 112 6.360 8.034 -5.282 1.00 0.75 H new ATOM 0 HG23 THR A 112 6.895 7.228 -3.788 1.00 0.75 H new ATOM 307 N GLY A 113 5.115 3.140 -6.019 1.00 0.77 N ATOM 308 CA GLY A 113 4.911 1.976 -6.879 1.00 0.86 C ATOM 309 C GLY A 113 5.562 0.713 -6.357 1.00 1.16 C ATOM 310 O GLY A 113 6.395 0.140 -7.054 1.00 1.72 O ATOM 0 H GLY A 113 4.691 3.054 -5.095 1.00 0.77 H new ATOM 0 HA2 GLY A 113 3.841 1.802 -6.993 1.00 0.86 H new ATOM 0 HA3 GLY A 113 5.306 2.195 -7.871 1.00 0.86 H new ATOM 314 N SER A 114 5.163 0.253 -5.168 1.00 1.99 N ATOM 315 CA SER A 114 5.576 -1.055 -4.636 1.00 2.70 C ATOM 316 C SER A 114 7.095 -1.033 -4.298 1.00 2.64 C ATOM 317 O SER A 114 7.658 0.068 -4.238 1.00 2.53 O ATOM 318 CB SER A 114 5.106 -2.127 -5.650 1.00 3.46 C ATOM 319 OG SER A 114 4.476 -3.227 -5.012 1.00 5.16 O ATOM 0 H SER A 114 4.545 0.774 -4.545 1.00 1.99 H new ATOM 0 HA SER A 114 5.109 -1.306 -3.684 1.00 2.70 H new ATOM 0 HB2 SER A 114 4.413 -1.675 -6.360 1.00 3.46 H new ATOM 0 HB3 SER A 114 5.962 -2.483 -6.223 1.00 3.46 H new ATOM 0 HG SER A 114 4.193 -3.879 -5.687 1.00 5.16 H new ATOM 325 N PRO A 115 7.808 -2.158 -4.055 1.00 3.06 N ATOM 326 CA PRO A 115 9.251 -2.130 -3.783 1.00 3.29 C ATOM 327 C PRO A 115 10.067 -1.950 -5.074 1.00 3.48 C ATOM 328 O PRO A 115 10.946 -2.747 -5.396 1.00 4.59 O ATOM 329 CB PRO A 115 9.549 -3.441 -3.057 1.00 3.98 C ATOM 330 CG PRO A 115 8.521 -4.410 -3.628 1.00 4.24 C ATOM 331 CD PRO A 115 7.313 -3.522 -3.912 1.00 3.62 C ATOM 0 HA PRO A 115 9.539 -1.278 -3.167 1.00 3.29 H new ATOM 0 HB2 PRO A 115 10.568 -3.781 -3.245 1.00 3.98 H new ATOM 0 HB3 PRO A 115 9.443 -3.334 -1.977 1.00 3.98 H new ATOM 0 HG2 PRO A 115 8.885 -4.894 -4.534 1.00 4.24 H new ATOM 0 HG3 PRO A 115 8.279 -5.202 -2.919 1.00 4.24 H new ATOM 0 HD2 PRO A 115 6.803 -3.844 -4.820 1.00 3.62 H new ATOM 0 HD3 PRO A 115 6.589 -3.586 -3.100 1.00 3.62 H new ATOM 339 N ALA A 116 9.728 -0.928 -5.861 1.00 2.84 N ATOM 340 CA ALA A 116 10.104 -0.852 -7.272 1.00 3.25 C ATOM 341 C ALA A 116 9.996 0.535 -7.925 1.00 2.77 C ATOM 342 O ALA A 116 10.156 0.637 -9.141 1.00 3.11 O ATOM 343 CB ALA A 116 9.269 -1.899 -8.017 1.00 4.10 C ATOM 0 H ALA A 116 9.184 -0.128 -5.537 1.00 2.84 H new ATOM 0 HA ALA A 116 11.173 -1.057 -7.338 1.00 3.25 H new ATOM 0 HB1 ALA A 116 9.519 -1.876 -9.078 1.00 4.10 H new ATOM 0 HB2 ALA A 116 9.484 -2.889 -7.615 1.00 4.10 H new ATOM 0 HB3 ALA A 116 8.209 -1.677 -7.889 1.00 4.10 H new ATOM 349 N GLY A 117 9.723 1.595 -7.151 1.00 2.23 N ATOM 350 CA GLY A 117 10.009 2.986 -7.551 1.00 2.01 C ATOM 351 C GLY A 117 9.462 3.392 -8.922 1.00 1.62 C ATOM 352 O GLY A 117 10.211 3.871 -9.765 1.00 2.12 O ATOM 0 H GLY A 117 9.297 1.515 -6.228 1.00 2.23 H new ATOM 0 HA2 GLY A 117 9.595 3.657 -6.798 1.00 2.01 H new ATOM 0 HA3 GLY A 117 11.089 3.134 -7.550 1.00 2.01 H new ATOM 356 N SER A 118 8.196 3.090 -9.185 1.00 1.12 N ATOM 357 CA SER A 118 7.682 2.836 -10.534 1.00 1.05 C ATOM 358 C SER A 118 6.668 3.857 -11.082 1.00 0.97 C ATOM 359 O SER A 118 6.514 3.932 -12.299 1.00 1.12 O ATOM 360 CB SER A 118 7.065 1.428 -10.529 1.00 1.01 C ATOM 361 OG SER A 118 8.049 0.445 -10.785 1.00 1.66 O ATOM 0 H SER A 118 7.484 3.012 -8.459 1.00 1.12 H new ATOM 0 HA SER A 118 8.530 2.931 -11.213 1.00 1.05 H new ATOM 0 HB2 SER A 118 6.596 1.236 -9.564 1.00 1.01 H new ATOM 0 HB3 SER A 118 6.280 1.368 -11.283 1.00 1.01 H new ATOM 0 HG SER A 118 8.885 0.695 -10.339 1.00 1.66 H new ATOM 367 N HIS A 119 5.965 4.642 -10.259 1.00 0.80 N ATOM 368 CA HIS A 119 4.970 5.633 -10.692 1.00 0.74 C ATOM 369 C HIS A 119 5.256 7.066 -10.193 1.00 0.72 C ATOM 370 O HIS A 119 6.419 7.447 -10.062 1.00 1.37 O ATOM 371 CB HIS A 119 3.592 5.053 -10.352 1.00 0.68 C ATOM 372 CG HIS A 119 3.148 4.978 -8.896 1.00 0.53 C ATOM 373 ND1 HIS A 119 2.832 5.997 -8.050 1.00 0.48 N ATOM 374 CD2 HIS A 119 2.814 3.815 -8.278 1.00 0.56 C ATOM 375 CE1 HIS A 119 2.382 5.506 -6.893 1.00 0.48 C ATOM 376 NE2 HIS A 119 2.320 4.174 -7.012 1.00 0.53 N ATOM 0 H HIS A 119 6.074 4.606 -9.246 1.00 0.80 H new ATOM 0 HA HIS A 119 5.017 5.793 -11.769 1.00 0.74 H new ATOM 0 HB2 HIS A 119 2.848 5.641 -10.890 1.00 0.68 H new ATOM 0 HB3 HIS A 119 3.554 4.042 -10.758 1.00 0.68 H new ATOM 0 HD1 HIS A 119 2.925 6.989 -8.268 1.00 0.48 H new ATOM 0 HD2 HIS A 119 2.909 2.817 -8.679 1.00 0.56 H new ATOM 0 HE1 HIS A 119 2.116 6.080 -6.018 1.00 0.48 H new ATOM 384 N THR A 120 4.215 7.876 -9.947 1.00 0.64 N ATOM 385 CA THR A 120 4.315 9.097 -9.127 1.00 0.67 C ATOM 386 C THR A 120 4.465 8.751 -7.651 1.00 0.60 C ATOM 387 O THR A 120 4.922 7.671 -7.325 1.00 0.58 O ATOM 388 CB THR A 120 3.134 10.001 -9.472 1.00 0.81 C ATOM 389 OG1 THR A 120 3.501 11.320 -9.157 1.00 0.93 O ATOM 390 CG2 THR A 120 1.833 9.644 -8.756 1.00 0.77 C ATOM 0 H THR A 120 3.278 7.704 -10.311 1.00 0.64 H new ATOM 0 HA THR A 120 5.220 9.661 -9.354 1.00 0.67 H new ATOM 0 HB THR A 120 2.923 9.870 -10.533 1.00 0.81 H new ATOM 0 HG1 THR A 120 2.760 11.925 -9.370 1.00 0.93 H new ATOM 0 HG21 THR A 120 1.048 10.337 -9.060 1.00 0.77 H new ATOM 0 HG22 THR A 120 1.541 8.627 -9.018 1.00 0.77 H new ATOM 0 HG23 THR A 120 1.980 9.713 -7.678 1.00 0.77 H new ATOM 398 N ILE A 121 4.043 9.624 -6.755 1.00 0.68 N ATOM 399 CA ILE A 121 3.869 9.385 -5.327 1.00 0.66 C ATOM 400 C ILE A 121 2.423 9.533 -4.885 1.00 0.63 C ATOM 401 O ILE A 121 1.729 10.479 -5.243 1.00 0.75 O ATOM 402 CB ILE A 121 4.791 10.319 -4.529 1.00 0.75 C ATOM 403 CG1 ILE A 121 4.580 10.143 -3.016 1.00 0.81 C ATOM 404 CG2 ILE A 121 4.559 11.798 -4.821 1.00 0.84 C ATOM 405 CD1 ILE A 121 5.148 8.858 -2.479 1.00 0.85 C ATOM 0 H ILE A 121 3.796 10.578 -7.017 1.00 0.68 H new ATOM 0 HA ILE A 121 4.145 8.350 -5.126 1.00 0.66 H new ATOM 0 HB ILE A 121 5.798 10.039 -4.838 1.00 0.75 H new ATOM 0 HG12 ILE A 121 5.040 10.981 -2.493 1.00 0.81 H new ATOM 0 HG13 ILE A 121 3.512 10.178 -2.799 1.00 0.81 H new ATOM 0 HG21 ILE A 121 5.244 12.399 -4.223 1.00 0.84 H new ATOM 0 HG22 ILE A 121 4.735 11.992 -5.879 1.00 0.84 H new ATOM 0 HG23 ILE A 121 3.532 12.062 -4.570 1.00 0.84 H new ATOM 0 HD11 ILE A 121 4.964 8.799 -1.406 1.00 0.85 H new ATOM 0 HD12 ILE A 121 4.671 8.013 -2.976 1.00 0.85 H new ATOM 0 HD13 ILE A 121 6.222 8.829 -2.665 1.00 0.85 H new ATOM 417 N MET A 122 2.016 8.580 -4.051 1.00 0.54 N ATOM 418 CA MET A 122 0.675 8.452 -3.538 1.00 0.56 C ATOM 419 C MET A 122 0.588 8.250 -2.047 1.00 0.55 C ATOM 420 O MET A 122 1.492 7.695 -1.436 1.00 0.64 O ATOM 421 CB MET A 122 0.131 7.219 -4.216 1.00 0.77 C ATOM 422 CG MET A 122 -0.041 7.579 -5.666 1.00 1.23 C ATOM 423 SD MET A 122 -1.117 8.967 -6.138 1.00 3.47 S ATOM 424 CE MET A 122 -2.366 9.027 -4.815 1.00 4.09 C ATOM 0 H MET A 122 2.643 7.853 -3.707 1.00 0.54 H new ATOM 0 HA MET A 122 0.128 9.374 -3.735 1.00 0.56 H new ATOM 0 HB2 MET A 122 0.815 6.378 -4.102 1.00 0.77 H new ATOM 0 HB3 MET A 122 -0.819 6.919 -3.774 1.00 0.77 H new ATOM 0 HG2 MET A 122 0.951 7.787 -6.068 1.00 1.23 H new ATOM 0 HG3 MET A 122 -0.413 6.692 -6.178 1.00 1.23 H new ATOM 0 HE1 MET A 122 -3.263 9.524 -5.184 1.00 4.09 H new ATOM 0 HE2 MET A 122 -2.615 8.013 -4.503 1.00 4.09 H new ATOM 0 HE3 MET A 122 -1.969 9.581 -3.964 1.00 4.09 H new ATOM 434 N TRP A 123 -0.565 8.625 -1.499 1.00 0.55 N ATOM 435 CA TRP A 123 -0.827 8.558 -0.060 1.00 0.59 C ATOM 436 C TRP A 123 -2.075 7.712 0.205 1.00 0.60 C ATOM 437 O TRP A 123 -3.176 8.114 -0.173 1.00 0.78 O ATOM 438 CB TRP A 123 -0.927 9.956 0.572 1.00 0.70 C ATOM 439 CG TRP A 123 -0.043 11.026 0.001 1.00 0.80 C ATOM 440 CD1 TRP A 123 -0.460 12.113 -0.688 1.00 1.15 C ATOM 441 CD2 TRP A 123 1.412 11.138 0.072 1.00 0.85 C ATOM 442 NE1 TRP A 123 0.628 12.888 -1.040 1.00 1.20 N ATOM 443 CE2 TRP A 123 1.808 12.343 -0.580 1.00 0.94 C ATOM 444 CE3 TRP A 123 2.434 10.346 0.631 1.00 1.20 C ATOM 445 CZ2 TRP A 123 3.149 12.755 -0.646 1.00 1.04 C ATOM 446 CZ3 TRP A 123 3.782 10.749 0.578 1.00 1.47 C ATOM 447 CH2 TRP A 123 4.140 11.954 -0.052 1.00 1.28 C ATOM 0 H TRP A 123 -1.349 8.986 -2.042 1.00 0.55 H new ATOM 0 HA TRP A 123 0.021 8.071 0.422 1.00 0.59 H new ATOM 0 HB2 TRP A 123 -1.961 10.291 0.491 1.00 0.70 H new ATOM 0 HB3 TRP A 123 -0.704 9.864 1.635 1.00 0.70 H new ATOM 0 HD1 TRP A 123 -1.488 12.341 -0.927 1.00 1.15 H new ATOM 0 HE1 TRP A 123 0.566 13.755 -1.574 1.00 1.20 H new ATOM 0 HE3 TRP A 123 2.179 9.412 1.109 1.00 1.20 H new ATOM 0 HZ2 TRP A 123 3.415 13.674 -1.146 1.00 1.04 H new ATOM 0 HZ3 TRP A 123 4.546 10.129 1.024 1.00 1.47 H new ATOM 0 HH2 TRP A 123 5.174 12.264 -0.080 1.00 1.28 H new ATOM 458 N LEU A 124 -1.915 6.533 0.816 1.00 0.53 N ATOM 459 CA LEU A 124 -3.009 5.560 0.958 1.00 0.61 C ATOM 460 C LEU A 124 -3.202 5.215 2.436 1.00 0.66 C ATOM 461 O LEU A 124 -2.231 5.199 3.188 1.00 0.69 O ATOM 462 CB LEU A 124 -2.723 4.295 0.122 1.00 0.70 C ATOM 463 CG LEU A 124 -1.891 4.482 -1.171 1.00 0.74 C ATOM 464 CD1 LEU A 124 -1.457 3.117 -1.680 1.00 0.86 C ATOM 465 CD2 LEU A 124 -2.681 5.172 -2.285 1.00 0.80 C ATOM 0 H LEU A 124 -1.032 6.226 1.224 1.00 0.53 H new ATOM 0 HA LEU A 124 -3.932 6.001 0.581 1.00 0.61 H new ATOM 0 HB2 LEU A 124 -2.204 3.578 0.758 1.00 0.70 H new ATOM 0 HB3 LEU A 124 -3.678 3.846 -0.151 1.00 0.70 H new ATOM 0 HG LEU A 124 -1.039 5.112 -0.918 1.00 0.74 H new ATOM 0 HD11 LEU A 124 -0.870 3.238 -2.591 1.00 0.86 H new ATOM 0 HD12 LEU A 124 -0.851 2.621 -0.921 1.00 0.86 H new ATOM 0 HD13 LEU A 124 -2.338 2.511 -1.894 1.00 0.86 H new ATOM 0 HD21 LEU A 124 -2.050 5.277 -3.167 1.00 0.80 H new ATOM 0 HD22 LEU A 124 -3.557 4.573 -2.535 1.00 0.80 H new ATOM 0 HD23 LEU A 124 -3.000 6.158 -1.948 1.00 0.80 H new ATOM 477 N LYS A 125 -4.429 4.901 2.862 1.00 0.82 N ATOM 478 CA LYS A 125 -4.743 4.637 4.288 1.00 0.86 C ATOM 479 C LYS A 125 -5.067 3.155 4.536 1.00 0.78 C ATOM 480 O LYS A 125 -6.142 2.708 4.136 1.00 1.10 O ATOM 481 CB LYS A 125 -5.804 5.636 4.852 1.00 1.07 C ATOM 482 CG LYS A 125 -7.298 5.236 5.001 1.00 2.47 C ATOM 483 CD LYS A 125 -7.641 4.410 6.268 1.00 3.36 C ATOM 484 CE LYS A 125 -9.086 3.872 6.238 1.00 4.77 C ATOM 485 NZ LYS A 125 -9.364 2.918 7.346 1.00 5.84 N ATOM 0 H LYS A 125 -5.234 4.821 2.241 1.00 0.82 H new ATOM 0 HA LYS A 125 -3.843 4.832 4.871 1.00 0.86 H new ATOM 0 HB2 LYS A 125 -5.458 5.941 5.839 1.00 1.07 H new ATOM 0 HB3 LYS A 125 -5.775 6.521 4.216 1.00 1.07 H new ATOM 0 HG2 LYS A 125 -7.901 6.144 5.005 1.00 2.47 H new ATOM 0 HG3 LYS A 125 -7.592 4.662 4.123 1.00 2.47 H new ATOM 0 HD2 LYS A 125 -6.946 3.575 6.355 1.00 3.36 H new ATOM 0 HD3 LYS A 125 -7.505 5.032 7.153 1.00 3.36 H new ATOM 0 HE2 LYS A 125 -9.783 4.708 6.300 1.00 4.77 H new ATOM 0 HE3 LYS A 125 -9.266 3.377 5.284 1.00 4.77 H new ATOM 0 HZ1 LYS A 125 -10.336 3.057 7.688 1.00 5.84 H new ATOM 0 HZ2 LYS A 125 -9.254 1.943 7.001 1.00 5.84 H new ATOM 0 HZ3 LYS A 125 -8.696 3.087 8.125 1.00 5.84 H new ATOM 499 N PRO A 126 -4.185 2.382 5.200 1.00 0.61 N ATOM 500 CA PRO A 126 -4.571 1.185 5.935 1.00 0.85 C ATOM 501 C PRO A 126 -4.913 1.552 7.393 1.00 1.31 C ATOM 502 O PRO A 126 -4.914 2.720 7.783 1.00 2.73 O ATOM 503 CB PRO A 126 -3.347 0.272 5.816 1.00 0.98 C ATOM 504 CG PRO A 126 -2.192 1.273 5.920 1.00 0.82 C ATOM 505 CD PRO A 126 -2.728 2.479 5.147 1.00 0.59 C ATOM 0 HA PRO A 126 -5.464 0.693 5.550 1.00 0.85 H new ATOM 0 HB2 PRO A 126 -3.314 -0.473 6.611 1.00 0.98 H new ATOM 0 HB3 PRO A 126 -3.333 -0.271 4.871 1.00 0.98 H new ATOM 0 HG2 PRO A 126 -1.964 1.524 6.956 1.00 0.82 H new ATOM 0 HG3 PRO A 126 -1.275 0.882 5.478 1.00 0.82 H new ATOM 0 HD2 PRO A 126 -2.383 3.412 5.593 1.00 0.59 H new ATOM 0 HD3 PRO A 126 -2.374 2.469 4.116 1.00 0.59 H new ATOM 513 N THR A 127 -5.189 0.538 8.211 1.00 0.61 N ATOM 514 CA THR A 127 -5.426 0.565 9.665 1.00 0.64 C ATOM 515 C THR A 127 -5.161 -0.857 10.139 1.00 0.59 C ATOM 516 O THR A 127 -5.242 -1.783 9.342 1.00 0.58 O ATOM 517 CB THR A 127 -6.874 0.971 9.976 1.00 0.82 C ATOM 518 OG1 THR A 127 -7.081 2.276 9.477 1.00 1.33 O ATOM 519 CG2 THR A 127 -7.331 0.931 11.429 1.00 0.80 C ATOM 0 H THR A 127 -5.260 -0.412 7.846 1.00 0.61 H new ATOM 0 HA THR A 127 -4.784 1.291 10.164 1.00 0.64 H new ATOM 0 HB THR A 127 -7.477 0.202 9.493 1.00 0.82 H new ATOM 0 HG1 THR A 127 -6.286 2.567 8.983 1.00 1.33 H new ATOM 0 HG21 THR A 127 -8.373 1.243 11.491 1.00 0.80 H new ATOM 0 HG22 THR A 127 -7.233 -0.084 11.813 1.00 0.80 H new ATOM 0 HG23 THR A 127 -6.714 1.605 12.023 1.00 0.80 H new ATOM 527 N VAL A 128 -4.852 -1.063 11.405 1.00 0.59 N ATOM 528 CA VAL A 128 -4.490 -2.379 11.977 1.00 0.56 C ATOM 529 C VAL A 128 -5.460 -3.536 11.640 1.00 0.48 C ATOM 530 O VAL A 128 -5.042 -4.681 11.488 1.00 0.57 O ATOM 531 CB VAL A 128 -4.320 -2.243 13.502 1.00 0.70 C ATOM 532 CG1 VAL A 128 -5.621 -1.687 14.101 1.00 0.76 C ATOM 533 CG2 VAL A 128 -3.887 -3.559 14.172 1.00 0.82 C ATOM 0 H VAL A 128 -4.841 -0.312 12.095 1.00 0.59 H new ATOM 0 HA VAL A 128 -3.551 -2.662 11.501 1.00 0.56 H new ATOM 0 HB VAL A 128 -3.508 -1.544 13.700 1.00 0.70 H new ATOM 0 HG11 VAL A 128 -5.511 -1.587 15.181 1.00 0.76 H new ATOM 0 HG12 VAL A 128 -5.834 -0.710 13.666 1.00 0.76 H new ATOM 0 HG13 VAL A 128 -6.443 -2.369 13.882 1.00 0.76 H new ATOM 0 HG21 VAL A 128 -3.783 -3.404 15.246 1.00 0.82 H new ATOM 0 HG22 VAL A 128 -4.639 -4.326 13.988 1.00 0.82 H new ATOM 0 HG23 VAL A 128 -2.932 -3.881 13.758 1.00 0.82 H new ATOM 543 N ASN A 129 -6.757 -3.238 11.494 1.00 0.53 N ATOM 544 CA ASN A 129 -7.808 -4.199 11.121 1.00 0.69 C ATOM 545 C ASN A 129 -7.860 -4.515 9.615 1.00 0.71 C ATOM 546 O ASN A 129 -8.722 -5.273 9.175 1.00 0.89 O ATOM 547 CB ASN A 129 -9.162 -3.674 11.644 1.00 0.97 C ATOM 548 CG ASN A 129 -9.482 -4.165 13.052 1.00 1.41 C ATOM 549 OD1 ASN A 129 -8.580 -4.010 14.001 1.00 2.04 O flip ATOM 550 ND2 ASN A 129 -10.544 -4.707 13.311 1.00 1.92 N flip ATOM 0 H ASN A 129 -7.117 -2.294 11.636 1.00 0.53 H new ATOM 0 HA ASN A 129 -7.569 -5.154 11.589 1.00 0.69 H new ATOM 0 HB2 ASN A 129 -9.151 -2.584 11.638 1.00 0.97 H new ATOM 0 HB3 ASN A 129 -9.955 -3.988 10.965 1.00 0.97 H new ATOM 0 HD21 ASN A 129 -11.245 -4.830 12.581 1.00 1.92 H new ATOM 0 HD22 ASN A 129 -10.730 -5.038 14.258 1.00 1.92 H new ATOM 557 N GLU A 130 -6.990 -3.897 8.818 1.00 0.63 N ATOM 558 CA GLU A 130 -7.278 -3.606 7.422 1.00 0.67 C ATOM 559 C GLU A 130 -6.091 -3.789 6.479 1.00 0.68 C ATOM 560 O GLU A 130 -4.989 -4.187 6.845 1.00 0.77 O ATOM 561 CB GLU A 130 -7.746 -2.150 7.285 1.00 0.92 C ATOM 562 CG GLU A 130 -8.883 -1.748 8.209 1.00 0.88 C ATOM 563 CD GLU A 130 -9.422 -0.380 7.758 1.00 1.39 C ATOM 564 OE1 GLU A 130 -8.604 0.399 7.212 1.00 2.74 O ATOM 565 OE2 GLU A 130 -10.596 -0.033 7.991 1.00 1.74 O ATOM 0 H GLU A 130 -6.068 -3.586 9.125 1.00 0.63 H new ATOM 0 HA GLU A 130 -8.045 -4.325 7.133 1.00 0.67 H new ATOM 0 HB2 GLU A 130 -6.897 -1.493 7.472 1.00 0.92 H new ATOM 0 HB3 GLU A 130 -8.059 -1.981 6.255 1.00 0.92 H new ATOM 0 HG2 GLU A 130 -9.676 -2.495 8.180 1.00 0.88 H new ATOM 0 HG3 GLU A 130 -8.532 -1.695 9.240 1.00 0.88 H new ATOM 572 N VAL A 131 -6.378 -3.428 5.236 1.00 0.71 N ATOM 573 CA VAL A 131 -5.530 -3.354 4.063 1.00 0.68 C ATOM 574 C VAL A 131 -5.913 -2.070 3.302 1.00 0.64 C ATOM 575 O VAL A 131 -6.958 -1.481 3.585 1.00 0.71 O ATOM 576 CB VAL A 131 -5.753 -4.582 3.174 1.00 0.70 C ATOM 577 CG1 VAL A 131 -5.306 -5.839 3.912 1.00 0.68 C ATOM 578 CG2 VAL A 131 -7.209 -4.725 2.710 1.00 0.71 C ATOM 0 H VAL A 131 -7.330 -3.146 5.002 1.00 0.71 H new ATOM 0 HA VAL A 131 -4.478 -3.333 4.347 1.00 0.68 H new ATOM 0 HB VAL A 131 -5.152 -4.445 2.275 1.00 0.70 H new ATOM 0 HG11 VAL A 131 -5.466 -6.710 3.277 1.00 0.68 H new ATOM 0 HG12 VAL A 131 -4.247 -5.759 4.158 1.00 0.68 H new ATOM 0 HG13 VAL A 131 -5.885 -5.948 4.829 1.00 0.68 H new ATOM 0 HG21 VAL A 131 -7.306 -5.612 2.084 1.00 0.71 H new ATOM 0 HG22 VAL A 131 -7.860 -4.821 3.579 1.00 0.71 H new ATOM 0 HG23 VAL A 131 -7.497 -3.843 2.137 1.00 0.71 H new ATOM 588 N ALA A 132 -5.119 -1.647 2.318 1.00 0.57 N ATOM 589 CA ALA A 132 -5.390 -0.461 1.501 1.00 0.51 C ATOM 590 C ALA A 132 -4.861 -0.639 0.080 1.00 0.41 C ATOM 591 O ALA A 132 -3.686 -0.940 -0.075 1.00 0.43 O ATOM 592 CB ALA A 132 -4.701 0.727 2.169 1.00 0.68 C ATOM 0 H ALA A 132 -4.256 -2.125 2.061 1.00 0.57 H new ATOM 0 HA ALA A 132 -6.466 -0.299 1.431 1.00 0.51 H new ATOM 0 HB1 ALA A 132 -4.883 1.629 1.585 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -5.099 0.860 3.175 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -3.628 0.541 2.225 1.00 0.68 H new ATOM 598 N ARG A 133 -5.684 -0.416 -0.949 1.00 0.46 N ATOM 599 CA ARG A 133 -5.231 -0.425 -2.348 1.00 0.39 C ATOM 600 C ARG A 133 -4.844 0.982 -2.789 1.00 0.41 C ATOM 601 O ARG A 133 -5.552 1.944 -2.489 1.00 0.53 O ATOM 602 CB ARG A 133 -6.320 -0.989 -3.277 1.00 0.47 C ATOM 603 CG ARG A 133 -5.749 -1.488 -4.621 1.00 0.58 C ATOM 604 CD ARG A 133 -6.878 -1.680 -5.639 1.00 0.98 C ATOM 605 NE ARG A 133 -6.391 -2.054 -6.980 1.00 1.80 N ATOM 606 CZ ARG A 133 -6.239 -1.253 -8.030 1.00 2.97 C ATOM 607 NH1 ARG A 133 -6.275 0.058 -7.955 1.00 3.79 N ATOM 608 NH2 ARG A 133 -6.015 -1.744 -9.222 1.00 4.29 N ATOM 0 H ARG A 133 -6.680 -0.225 -0.839 1.00 0.46 H new ATOM 0 HA ARG A 133 -4.356 -1.071 -2.415 1.00 0.39 H new ATOM 0 HB2 ARG A 133 -6.831 -1.811 -2.775 1.00 0.47 H new ATOM 0 HB3 ARG A 133 -7.066 -0.218 -3.467 1.00 0.47 H new ATOM 0 HG2 ARG A 133 -5.023 -0.771 -5.004 1.00 0.58 H new ATOM 0 HG3 ARG A 133 -5.220 -2.429 -4.472 1.00 0.58 H new ATOM 0 HD2 ARG A 133 -7.558 -2.452 -5.278 1.00 0.98 H new ATOM 0 HD3 ARG A 133 -7.454 -0.757 -5.712 1.00 0.98 H new ATOM 0 HE ARG A 133 -6.144 -3.034 -7.117 1.00 1.80 H new ATOM 0 HH11 ARG A 133 -6.426 0.513 -7.055 1.00 3.79 H new ATOM 0 HH12 ARG A 133 -6.152 0.621 -8.797 1.00 3.79 H new ATOM 0 HH21 ARG A 133 -5.955 -2.754 -9.355 1.00 4.29 H new ATOM 0 HH22 ARG A 133 -5.900 -1.117 -10.018 1.00 4.29 H new ATOM 622 N CYS A 134 -3.776 1.065 -3.572 1.00 0.43 N ATOM 623 CA CYS A 134 -3.479 2.194 -4.429 1.00 0.53 C ATOM 624 C CYS A 134 -4.543 2.394 -5.531 1.00 0.68 C ATOM 625 O CYS A 134 -5.443 1.574 -5.750 1.00 1.19 O ATOM 626 CB CYS A 134 -2.069 1.886 -4.943 1.00 0.56 C ATOM 627 SG CYS A 134 -1.109 3.246 -5.690 1.00 0.76 S ATOM 0 H CYS A 134 -3.076 0.325 -3.626 1.00 0.43 H new ATOM 0 HA CYS A 134 -3.509 3.154 -3.914 1.00 0.53 H new ATOM 0 HB2 CYS A 134 -1.490 1.488 -4.110 1.00 0.56 H new ATOM 0 HB3 CYS A 134 -2.151 1.090 -5.683 1.00 0.56 H new ATOM 632 N TRP A 135 -4.385 3.477 -6.283 1.00 0.61 N ATOM 633 CA TRP A 135 -5.012 3.654 -7.594 1.00 0.68 C ATOM 634 C TRP A 135 -3.979 3.633 -8.734 1.00 0.68 C ATOM 635 O TRP A 135 -4.361 3.434 -9.880 1.00 0.85 O ATOM 636 CB TRP A 135 -5.792 4.968 -7.583 1.00 0.79 C ATOM 637 CG TRP A 135 -4.956 6.189 -7.778 1.00 0.90 C ATOM 638 CD1 TRP A 135 -4.246 6.831 -6.822 1.00 0.99 C ATOM 639 CD2 TRP A 135 -4.575 6.815 -9.046 1.00 1.10 C ATOM 640 NE1 TRP A 135 -3.623 7.913 -7.404 1.00 1.21 N ATOM 641 CE2 TRP A 135 -3.742 7.931 -8.770 1.00 1.27 C ATOM 642 CE3 TRP A 135 -4.746 6.482 -10.405 1.00 1.24 C ATOM 643 CZ2 TRP A 135 -3.156 8.722 -9.771 1.00 1.51 C ATOM 644 CZ3 TRP A 135 -4.074 7.191 -11.416 1.00 1.48 C ATOM 645 CH2 TRP A 135 -3.306 8.330 -11.112 1.00 1.60 C ATOM 0 H TRP A 135 -3.810 4.270 -5.998 1.00 0.61 H new ATOM 0 HA TRP A 135 -5.689 2.820 -7.780 1.00 0.68 H new ATOM 0 HB2 TRP A 135 -6.548 4.933 -8.367 1.00 0.79 H new ATOM 0 HB3 TRP A 135 -6.321 5.053 -6.634 1.00 0.79 H new ATOM 0 HD1 TRP A 135 -4.179 6.545 -5.783 1.00 0.99 H new ATOM 0 HE1 TRP A 135 -3.124 8.627 -6.873 1.00 1.21 H new ATOM 0 HE3 TRP A 135 -5.404 5.669 -10.674 1.00 1.24 H new ATOM 0 HZ2 TRP A 135 -2.602 9.613 -9.516 1.00 1.51 H new ATOM 0 HZ3 TRP A 135 -4.148 6.857 -12.440 1.00 1.48 H new ATOM 0 HH2 TRP A 135 -2.836 8.898 -11.902 1.00 1.60 H new ATOM 656 N GLU A 136 -2.704 3.842 -8.405 1.00 0.59 N ATOM 657 CA GLU A 136 -1.588 4.039 -9.324 1.00 0.59 C ATOM 658 C GLU A 136 -1.027 2.645 -9.706 1.00 0.65 C ATOM 659 O GLU A 136 -1.558 1.981 -10.603 1.00 0.89 O ATOM 660 CB GLU A 136 -0.586 4.985 -8.630 1.00 0.59 C ATOM 661 CG GLU A 136 -0.487 6.377 -9.249 1.00 0.61 C ATOM 662 CD GLU A 136 0.454 6.368 -10.438 1.00 1.01 C ATOM 663 OE1 GLU A 136 0.358 5.425 -11.251 1.00 1.71 O ATOM 664 OE2 GLU A 136 1.350 7.243 -10.476 1.00 1.56 O ATOM 0 H GLU A 136 -2.407 3.880 -7.430 1.00 0.59 H new ATOM 0 HA GLU A 136 -1.866 4.514 -10.265 1.00 0.59 H new ATOM 0 HB2 GLU A 136 -0.870 5.088 -7.583 1.00 0.59 H new ATOM 0 HB3 GLU A 136 0.401 4.523 -8.649 1.00 0.59 H new ATOM 0 HG2 GLU A 136 -1.475 6.712 -9.563 1.00 0.61 H new ATOM 0 HG3 GLU A 136 -0.132 7.088 -8.503 1.00 0.61 H new ATOM 671 N CYS A 137 -0.081 2.097 -8.919 1.00 0.59 N ATOM 672 CA CYS A 137 0.362 0.712 -9.017 1.00 0.69 C ATOM 673 C CYS A 137 -0.777 -0.291 -8.787 1.00 0.74 C ATOM 674 O CYS A 137 -0.632 -1.448 -9.160 1.00 1.10 O ATOM 675 CB CYS A 137 1.548 0.475 -8.056 1.00 0.79 C ATOM 676 SG CYS A 137 1.329 0.840 -6.273 1.00 0.85 S ATOM 0 H CYS A 137 0.399 2.622 -8.188 1.00 0.59 H new ATOM 0 HA CYS A 137 0.701 0.537 -10.038 1.00 0.69 H new ATOM 0 HB2 CYS A 137 1.840 -0.571 -8.145 1.00 0.79 H new ATOM 0 HB3 CYS A 137 2.387 1.072 -8.414 1.00 0.79 H new ATOM 681 N GLY A 138 -1.875 0.125 -8.156 1.00 0.62 N ATOM 682 CA GLY A 138 -3.010 -0.714 -7.778 1.00 0.72 C ATOM 683 C GLY A 138 -2.647 -1.884 -6.871 1.00 0.75 C ATOM 684 O GLY A 138 -3.439 -2.814 -6.744 1.00 0.92 O ATOM 0 H GLY A 138 -2.002 1.099 -7.883 1.00 0.62 H new ATOM 0 HA2 GLY A 138 -3.753 -0.095 -7.275 1.00 0.72 H new ATOM 0 HA3 GLY A 138 -3.478 -1.102 -8.683 1.00 0.72 H new ATOM 688 N SER A 139 -1.467 -1.880 -6.246 1.00 0.64 N ATOM 689 CA SER A 139 -1.143 -2.892 -5.245 1.00 0.64 C ATOM 690 C SER A 139 -1.875 -2.615 -3.945 1.00 0.46 C ATOM 691 O SER A 139 -1.995 -1.459 -3.544 1.00 0.53 O ATOM 692 CB SER A 139 0.371 -3.034 -5.029 1.00 0.80 C ATOM 693 OG SER A 139 0.995 -1.965 -4.396 1.00 1.28 O ATOM 0 H SER A 139 -0.730 -1.195 -6.414 1.00 0.64 H new ATOM 0 HA SER A 139 -1.488 -3.853 -5.627 1.00 0.64 H new ATOM 0 HB2 SER A 139 0.552 -3.935 -4.443 1.00 0.80 H new ATOM 0 HB3 SER A 139 0.845 -3.184 -5.999 1.00 0.80 H new ATOM 0 HG SER A 139 0.529 -1.764 -3.558 1.00 1.28 H new ATOM 699 N VAL A 140 -2.329 -3.670 -3.276 1.00 0.42 N ATOM 700 CA VAL A 140 -2.793 -3.562 -1.902 1.00 0.36 C ATOM 701 C VAL A 140 -1.574 -3.570 -0.977 1.00 0.40 C ATOM 702 O VAL A 140 -0.564 -4.205 -1.274 1.00 0.55 O ATOM 703 CB VAL A 140 -3.812 -4.666 -1.568 1.00 0.38 C ATOM 704 CG1 VAL A 140 -4.368 -4.558 -0.147 1.00 0.42 C ATOM 705 CG2 VAL A 140 -5.023 -4.655 -2.521 1.00 0.47 C ATOM 0 H VAL A 140 -2.385 -4.611 -3.666 1.00 0.42 H new ATOM 0 HA VAL A 140 -3.327 -2.623 -1.757 1.00 0.36 H new ATOM 0 HB VAL A 140 -3.245 -5.591 -1.677 1.00 0.38 H new ATOM 0 HG11 VAL A 140 -5.081 -5.364 0.027 1.00 0.42 H new ATOM 0 HG12 VAL A 140 -3.551 -4.635 0.570 1.00 0.42 H new ATOM 0 HG13 VAL A 140 -4.869 -3.598 -0.024 1.00 0.42 H new ATOM 0 HG21 VAL A 140 -5.712 -5.453 -2.243 1.00 0.47 H new ATOM 0 HG22 VAL A 140 -5.533 -3.694 -2.450 1.00 0.47 H new ATOM 0 HG23 VAL A 140 -4.682 -4.810 -3.545 1.00 0.47 H new ATOM 715 N TYR A 141 -1.702 -2.850 0.131 1.00 0.36 N ATOM 716 CA TYR A 141 -0.738 -2.569 1.188 1.00 0.44 C ATOM 717 C TYR A 141 -1.377 -2.842 2.543 1.00 0.47 C ATOM 718 O TYR A 141 -2.602 -2.807 2.657 1.00 0.47 O ATOM 719 CB TYR A 141 -0.382 -1.075 1.142 1.00 0.46 C ATOM 720 CG TYR A 141 0.443 -0.681 -0.051 1.00 0.53 C ATOM 721 CD1 TYR A 141 1.837 -0.773 0.059 1.00 1.78 C ATOM 722 CD2 TYR A 141 -0.156 -0.281 -1.262 1.00 2.23 C ATOM 723 CE1 TYR A 141 2.651 -0.465 -1.038 1.00 1.75 C ATOM 724 CE2 TYR A 141 0.652 -0.024 -2.381 1.00 2.30 C ATOM 725 CZ TYR A 141 2.061 -0.095 -2.272 1.00 0.70 C ATOM 726 OH TYR A 141 2.816 0.127 -3.383 1.00 0.86 O ATOM 0 H TYR A 141 -2.592 -2.395 0.334 1.00 0.36 H new ATOM 0 HA TYR A 141 0.145 -3.193 1.048 1.00 0.44 H new ATOM 0 HB2 TYR A 141 -1.303 -0.492 1.143 1.00 0.46 H new ATOM 0 HB3 TYR A 141 0.162 -0.813 2.050 1.00 0.46 H new ATOM 0 HD1 TYR A 141 2.285 -1.082 0.992 1.00 1.78 H new ATOM 0 HD2 TYR A 141 -1.228 -0.173 -1.329 1.00 2.23 H new ATOM 0 HE1 TYR A 141 3.726 -0.509 -0.944 1.00 1.75 H new ATOM 0 HE2 TYR A 141 0.197 0.229 -3.327 1.00 2.30 H new ATOM 0 HH TYR A 141 2.229 0.322 -4.143 1.00 0.86 H new ATOM 736 N LYS A 142 -0.585 -3.072 3.591 1.00 0.66 N ATOM 737 CA LYS A 142 -1.135 -3.454 4.887 1.00 0.54 C ATOM 738 C LYS A 142 -0.431 -2.806 6.065 1.00 0.48 C ATOM 739 O LYS A 142 0.787 -2.607 6.053 1.00 0.54 O ATOM 740 CB LYS A 142 -1.041 -4.968 5.011 1.00 0.77 C ATOM 741 CG LYS A 142 -2.057 -5.470 6.027 1.00 0.80 C ATOM 742 CD LYS A 142 -2.044 -6.983 6.071 1.00 1.39 C ATOM 743 CE LYS A 142 -3.144 -7.435 7.017 1.00 1.76 C ATOM 744 NZ LYS A 142 -3.248 -8.916 6.978 1.00 3.06 N ATOM 0 H LYS A 142 0.432 -3.000 3.566 1.00 0.66 H new ATOM 0 HA LYS A 142 -2.167 -3.104 4.922 1.00 0.54 H new ATOM 0 HB2 LYS A 142 -1.223 -5.433 4.042 1.00 0.77 H new ATOM 0 HB3 LYS A 142 -0.035 -5.254 5.318 1.00 0.77 H new ATOM 0 HG2 LYS A 142 -1.826 -5.068 7.013 1.00 0.80 H new ATOM 0 HG3 LYS A 142 -3.053 -5.115 5.763 1.00 0.80 H new ATOM 0 HD2 LYS A 142 -2.205 -7.395 5.075 1.00 1.39 H new ATOM 0 HD3 LYS A 142 -1.075 -7.346 6.413 1.00 1.39 H new ATOM 0 HE2 LYS A 142 -2.927 -7.101 8.032 1.00 1.76 H new ATOM 0 HE3 LYS A 142 -4.094 -6.985 6.730 1.00 1.76 H new ATOM 0 HZ1 LYS A 142 -3.849 -9.243 7.762 1.00 3.06 H new ATOM 0 HZ2 LYS A 142 -3.668 -9.211 6.074 1.00 3.06 H new ATOM 0 HZ3 LYS A 142 -2.300 -9.333 7.071 1.00 3.06 H new ATOM 758 N LEU A 143 -1.206 -2.536 7.115 1.00 0.44 N ATOM 759 CA LEU A 143 -0.667 -2.102 8.396 1.00 0.42 C ATOM 760 C LEU A 143 -0.450 -3.291 9.321 1.00 0.44 C ATOM 761 O LEU A 143 -1.226 -4.242 9.337 1.00 0.54 O ATOM 762 CB LEU A 143 -1.618 -1.085 9.034 1.00 0.43 C ATOM 763 CG LEU A 143 -0.943 -0.302 10.176 1.00 0.57 C ATOM 764 CD1 LEU A 143 -1.249 1.173 9.967 1.00 0.42 C ATOM 765 CD2 LEU A 143 -1.411 -0.732 11.569 1.00 0.91 C ATOM 0 H LEU A 143 -2.223 -2.613 7.098 1.00 0.44 H new ATOM 0 HA LEU A 143 0.301 -1.628 8.231 1.00 0.42 H new ATOM 0 HB2 LEU A 143 -1.967 -0.387 8.273 1.00 0.43 H new ATOM 0 HB3 LEU A 143 -2.497 -1.602 9.419 1.00 0.43 H new ATOM 0 HG LEU A 143 0.127 -0.507 10.141 1.00 0.57 H new ATOM 0 HD11 LEU A 143 -0.784 1.757 10.761 1.00 0.42 H new ATOM 0 HD12 LEU A 143 -0.855 1.493 9.003 1.00 0.42 H new ATOM 0 HD13 LEU A 143 -2.328 1.327 9.987 1.00 0.42 H new ATOM 0 HD21 LEU A 143 -0.895 -0.140 12.325 1.00 0.91 H new ATOM 0 HD22 LEU A 143 -2.486 -0.575 11.656 1.00 0.91 H new ATOM 0 HD23 LEU A 143 -1.185 -1.788 11.719 1.00 0.91 H new ATOM 777 N ASN A 144 0.601 -3.202 10.119 1.00 0.51 N ATOM 778 CA ASN A 144 0.904 -4.135 11.195 1.00 0.56 C ATOM 779 C ASN A 144 0.755 -3.440 12.569 1.00 0.78 C ATOM 780 O ASN A 144 1.046 -2.250 12.690 1.00 0.99 O ATOM 781 CB ASN A 144 2.316 -4.702 10.958 1.00 0.57 C ATOM 782 CG ASN A 144 3.373 -3.636 10.686 1.00 0.87 C ATOM 783 OD1 ASN A 144 3.162 -2.447 10.865 1.00 1.40 O ATOM 784 ND2 ASN A 144 4.549 -4.036 10.247 1.00 0.88 N ATOM 0 H ASN A 144 1.290 -2.455 10.034 1.00 0.51 H new ATOM 0 HA ASN A 144 0.199 -4.966 11.200 1.00 0.56 H new ATOM 0 HB2 ASN A 144 2.615 -5.282 11.831 1.00 0.57 H new ATOM 0 HB3 ASN A 144 2.283 -5.391 10.114 1.00 0.57 H new ATOM 0 HD21 ASN A 144 5.282 -3.353 10.057 1.00 0.88 H new ATOM 0 HD22 ASN A 144 4.727 -5.029 10.097 1.00 0.88 H new ATOM 791 N PRO A 145 0.337 -4.158 13.631 1.00 0.89 N ATOM 792 CA PRO A 145 0.161 -3.568 14.963 1.00 1.20 C ATOM 793 C PRO A 145 1.497 -3.196 15.622 1.00 1.21 C ATOM 794 O PRO A 145 1.552 -2.292 16.447 1.00 1.82 O ATOM 795 CB PRO A 145 -0.527 -4.662 15.788 1.00 1.41 C ATOM 796 CG PRO A 145 0.021 -5.941 15.152 1.00 1.20 C ATOM 797 CD PRO A 145 0.020 -5.579 13.669 1.00 0.98 C ATOM 0 HA PRO A 145 -0.412 -2.643 14.900 1.00 1.20 H new ATOM 0 HB2 PRO A 145 -0.274 -4.593 16.846 1.00 1.41 H new ATOM 0 HB3 PRO A 145 -1.613 -4.604 15.715 1.00 1.41 H new ATOM 0 HG2 PRO A 145 1.021 -6.181 15.513 1.00 1.20 H new ATOM 0 HG3 PRO A 145 -0.610 -6.805 15.362 1.00 1.20 H new ATOM 0 HD2 PRO A 145 0.758 -6.163 13.119 1.00 0.98 H new ATOM 0 HD3 PRO A 145 -0.950 -5.780 13.214 1.00 0.98 H new ATOM 805 N VAL A 146 2.560 -3.917 15.245 1.00 0.81 N ATOM 806 CA VAL A 146 3.937 -3.881 15.767 1.00 0.98 C ATOM 807 C VAL A 146 4.048 -3.768 17.301 1.00 1.84 C ATOM 808 O VAL A 146 3.141 -4.131 18.047 1.00 3.00 O ATOM 809 CB VAL A 146 4.790 -2.841 14.995 1.00 0.94 C ATOM 810 CG1 VAL A 146 4.696 -3.020 13.490 1.00 1.18 C ATOM 811 CG2 VAL A 146 4.371 -1.409 15.245 1.00 2.17 C ATOM 0 H VAL A 146 2.473 -4.605 14.497 1.00 0.81 H new ATOM 0 HA VAL A 146 4.365 -4.864 15.572 1.00 0.98 H new ATOM 0 HB VAL A 146 5.799 -3.020 15.367 1.00 0.94 H new ATOM 0 HG11 VAL A 146 5.311 -2.268 12.995 1.00 1.18 H new ATOM 0 HG12 VAL A 146 5.051 -4.014 13.219 1.00 1.18 H new ATOM 0 HG13 VAL A 146 3.659 -2.906 13.174 1.00 1.18 H new ATOM 0 HG21 VAL A 146 5.011 -0.737 14.673 1.00 2.17 H new ATOM 0 HG22 VAL A 146 3.335 -1.274 14.935 1.00 2.17 H new ATOM 0 HG23 VAL A 146 4.465 -1.183 16.307 1.00 2.17 H new ATOM 821 N GLY A 147 5.202 -3.303 17.781 1.00 1.84 N ATOM 822 CA GLY A 147 5.346 -2.695 19.099 1.00 2.35 C ATOM 823 C GLY A 147 6.749 -2.185 19.351 1.00 2.30 C ATOM 824 O GLY A 147 7.742 -2.772 18.937 1.00 2.37 O ATOM 0 H GLY A 147 6.075 -3.340 17.255 1.00 1.84 H new ATOM 0 HA2 GLY A 147 4.640 -1.870 19.194 1.00 2.35 H new ATOM 0 HA3 GLY A 147 5.086 -3.427 19.864 1.00 2.35 H new TER 828 GLY A 147 HETATM 829 ZN ZN A 156 1.317 3.106 -5.531 1.00 0.68 ZN