USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 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 37 TYR OH : rot 90:sc= -0.0784 USER MOD Set 1.2: A 55 MET CE :methyl -165:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 150:sc= -0.0139 (180deg=-0.236) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -170:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.184 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.68 K(o=-1.7,f=-0.98) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.7) USER MOD Single : A 52 TYR OH : rot -4:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 5.806 -0.452 -0.162 1.00 0.00 N ATOM 34 CA ALA A 3 4.612 -1.228 -0.446 1.00 0.00 C ATOM 35 C ALA A 3 4.630 -1.667 -1.905 1.00 0.00 C ATOM 36 O ALA A 3 5.215 -1.022 -2.765 1.00 0.00 O ATOM 37 CB ALA A 3 3.417 -0.307 -0.188 1.00 0.00 C ATOM 0 HA ALA A 3 4.556 -2.120 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.492 -0.847 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.428 0.021 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.479 0.562 -0.843 1.00 0.00 H new ATOM 43 N ILE A 4 3.928 -2.803 -2.107 1.00 0.00 N ATOM 44 CA ILE A 4 3.864 -3.406 -3.425 1.00 0.00 C ATOM 45 C ILE A 4 2.509 -4.120 -3.577 1.00 0.00 C ATOM 46 O ILE A 4 2.182 -5.047 -2.843 1.00 0.00 O ATOM 47 CB ILE A 4 5.051 -4.393 -3.532 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.394 -3.627 -3.579 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.925 -5.374 -4.720 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.614 -4.490 -3.916 1.00 0.00 C ATOM 0 H ILE A 4 3.413 -3.301 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 4 3.939 -2.667 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 4 5.027 -5.008 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.316 -2.829 -4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.559 -3.151 -2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.789 -6.038 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.016 -5.965 -4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.881 -4.812 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.509 -3.867 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.725 -5.272 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.478 -4.945 -4.897 1.00 0.00 H new ATOM 62 N ALA A 5 1.760 -3.646 -4.593 1.00 0.00 N ATOM 63 CA ALA A 5 0.458 -4.246 -4.861 1.00 0.00 C ATOM 64 C ALA A 5 0.588 -5.691 -5.389 1.00 0.00 C ATOM 65 O ALA A 5 1.241 -5.941 -6.394 1.00 0.00 O ATOM 66 CB ALA A 5 -0.234 -3.393 -5.916 1.00 0.00 C ATOM 0 H ALA A 5 2.027 -2.881 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.112 -4.285 -3.933 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.214 -3.815 -6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.354 -2.377 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.370 -3.376 -6.823 1.00 0.00 H new ATOM 72 N LYS A 6 -0.156 -6.596 -4.724 1.00 0.00 N ATOM 73 CA LYS A 6 -0.142 -8.010 -5.106 1.00 0.00 C ATOM 74 C LYS A 6 -1.300 -8.400 -6.027 1.00 0.00 C ATOM 75 O LYS A 6 -1.194 -9.371 -6.762 1.00 0.00 O ATOM 76 CB LYS A 6 -0.241 -8.880 -3.858 1.00 0.00 C ATOM 77 CG LYS A 6 0.964 -8.734 -2.940 1.00 0.00 C ATOM 78 CD LYS A 6 1.753 -10.044 -2.805 1.00 0.00 C ATOM 79 CE LYS A 6 1.243 -10.921 -1.655 1.00 0.00 C ATOM 80 NZ LYS A 6 0.237 -11.876 -2.096 1.00 0.00 N ATOM 0 H LYS A 6 -0.762 -6.373 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 6 0.793 -8.167 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.145 -8.617 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.341 -9.924 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.621 -7.955 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.630 -8.410 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.688 -10.602 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.806 -9.815 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.081 -11.458 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.822 -10.286 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.284 -12.729 -1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.707 -11.448 -2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.415 -12.134 -3.088 1.00 0.00 H new ATOM 94 N TYR A 7 -2.405 -7.626 -5.951 1.00 0.00 N ATOM 95 CA TYR A 7 -3.575 -7.959 -6.801 1.00 0.00 C ATOM 96 C TYR A 7 -4.181 -6.656 -7.340 1.00 0.00 C ATOM 97 O TYR A 7 -3.846 -5.559 -6.912 1.00 0.00 O ATOM 98 CB TYR A 7 -4.681 -8.723 -6.015 1.00 0.00 C ATOM 99 CG TYR A 7 -4.247 -10.109 -5.575 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.372 -10.270 -4.514 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.664 -11.249 -6.252 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.857 -11.519 -4.201 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.184 -12.502 -5.935 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.267 -12.652 -4.899 1.00 0.00 C ATOM 105 OH TYR A 7 -2.732 -13.891 -4.565 1.00 0.00 O ATOM 0 H TYR A 7 -2.514 -6.811 -5.347 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.224 -8.605 -7.606 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.963 -8.141 -5.137 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.570 -8.808 -6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.087 -9.412 -3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.385 -11.150 -7.050 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.130 -11.614 -3.408 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.519 -13.366 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.120 -14.581 -5.143 1.00 0.00 H new ATOM 115 N ASP A 8 -5.082 -6.844 -8.331 1.00 0.00 N ATOM 116 CA ASP A 8 -5.740 -5.680 -8.926 1.00 0.00 C ATOM 117 C ASP A 8 -6.663 -5.052 -7.859 1.00 0.00 C ATOM 118 O ASP A 8 -7.131 -5.746 -6.968 1.00 0.00 O ATOM 119 CB ASP A 8 -6.520 -6.084 -10.192 1.00 0.00 C ATOM 120 CG ASP A 8 -7.538 -7.218 -9.937 1.00 0.00 C ATOM 121 OD1 ASP A 8 -8.460 -7.031 -9.147 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.396 -8.280 -10.538 1.00 0.00 O ATOM 0 H ASP A 8 -5.355 -7.749 -8.715 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.000 -4.943 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.045 -5.212 -10.582 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.815 -6.402 -10.960 1.00 0.00 H new ATOM 127 N PHE A 9 -6.784 -3.710 -7.900 1.00 0.00 N ATOM 128 CA PHE A 9 -7.716 -3.050 -6.971 1.00 0.00 C ATOM 129 C PHE A 9 -8.327 -1.811 -7.647 1.00 0.00 C ATOM 130 O PHE A 9 -7.669 -1.043 -8.330 1.00 0.00 O ATOM 131 CB PHE A 9 -7.069 -2.743 -5.607 1.00 0.00 C ATOM 132 CG PHE A 9 -8.080 -2.560 -4.484 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.827 -3.662 -4.098 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.364 -1.338 -3.867 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.856 -3.556 -3.192 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.392 -1.233 -2.927 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.136 -2.359 -2.585 1.00 0.00 C ATOM 0 H PHE A 9 -6.276 -3.091 -8.532 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.528 -3.740 -6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.390 -3.554 -5.345 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.467 -1.839 -5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.595 -4.629 -4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.781 -0.465 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.451 -4.426 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.609 -0.280 -2.467 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.924 -2.290 -1.850 1.00 0.00 H new ATOM 147 N LYS A 10 -9.646 -1.701 -7.434 1.00 0.00 N ATOM 148 CA LYS A 10 -10.480 -0.618 -7.912 1.00 0.00 C ATOM 149 C LYS A 10 -11.233 -0.027 -6.703 1.00 0.00 C ATOM 150 O LYS A 10 -12.191 -0.640 -6.254 1.00 0.00 O ATOM 151 CB LYS A 10 -11.450 -1.165 -8.944 1.00 0.00 C ATOM 152 CG LYS A 10 -12.456 -0.130 -9.468 1.00 0.00 C ATOM 153 CD LYS A 10 -12.104 0.381 -10.867 1.00 0.00 C ATOM 154 CE LYS A 10 -13.145 -0.025 -11.919 1.00 0.00 C ATOM 155 NZ LYS A 10 -13.040 -1.430 -12.306 1.00 0.00 N ATOM 0 H LYS A 10 -10.170 -2.397 -6.903 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.884 0.165 -8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.883 -1.563 -9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.998 -1.999 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.451 -0.574 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.497 0.713 -8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.021 1.468 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.128 -0.007 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.144 0.166 -11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.024 0.601 -12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.766 -1.649 -13.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.097 -1.610 -12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.182 -2.032 -11.470 1.00 0.00 H new ATOM 169 N ALA A 11 -10.823 1.186 -6.246 1.00 0.00 N ATOM 170 CA ALA A 11 -11.448 1.830 -5.076 1.00 0.00 C ATOM 171 C ALA A 11 -12.986 1.818 -5.110 1.00 0.00 C ATOM 172 O ALA A 11 -13.624 1.676 -6.149 1.00 0.00 O ATOM 173 CB ALA A 11 -10.977 3.267 -4.933 1.00 0.00 C ATOM 0 H ALA A 11 -10.070 1.727 -6.670 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.132 1.235 -4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.452 3.721 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.895 3.284 -4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.246 3.829 -5.827 1.00 0.00 H new ATOM 179 N THR A 12 -13.500 1.962 -3.862 1.00 0.00 N ATOM 180 CA THR A 12 -14.937 1.943 -3.577 1.00 0.00 C ATOM 181 C THR A 12 -15.453 3.323 -3.094 1.00 0.00 C ATOM 182 O THR A 12 -16.648 3.598 -3.143 1.00 0.00 O ATOM 183 CB THR A 12 -15.255 0.861 -2.494 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.863 1.463 -1.189 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.670 -0.521 -2.961 1.00 0.00 C ATOM 0 H THR A 12 -12.921 2.094 -3.033 1.00 0.00 H new ATOM 0 HA THR A 12 -15.449 1.700 -4.508 1.00 0.00 H new ATOM 0 HB THR A 12 -16.301 0.591 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.891 0.776 -0.490 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.888 -1.281 -2.210 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.125 -0.807 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.591 -0.435 -3.088 1.00 0.00 H new ATOM 193 N ALA A 13 -14.511 4.187 -2.651 1.00 0.00 N ATOM 194 CA ALA A 13 -14.952 5.487 -2.107 1.00 0.00 C ATOM 195 C ALA A 13 -13.883 6.548 -2.250 1.00 0.00 C ATOM 196 O ALA A 13 -12.724 6.292 -2.542 1.00 0.00 O ATOM 197 CB ALA A 13 -15.306 5.332 -0.614 1.00 0.00 C ATOM 0 H ALA A 13 -13.504 4.023 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.826 5.802 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.631 6.293 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.109 4.603 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.428 4.990 -0.066 1.00 0.00 H new ATOM 203 N ASP A 14 -14.383 7.762 -1.973 1.00 0.00 N ATOM 204 CA ASP A 14 -13.604 8.982 -2.044 1.00 0.00 C ATOM 205 C ASP A 14 -12.261 8.888 -1.269 1.00 0.00 C ATOM 206 O ASP A 14 -11.244 9.389 -1.732 1.00 0.00 O ATOM 207 CB ASP A 14 -14.521 10.083 -1.503 1.00 0.00 C ATOM 208 CG ASP A 14 -13.986 11.482 -1.874 1.00 0.00 C ATOM 209 OD1 ASP A 14 -12.876 11.825 -1.468 1.00 0.00 O ATOM 210 OD2 ASP A 14 -14.682 12.217 -2.569 1.00 0.00 O ATOM 0 H ASP A 14 -15.352 7.913 -1.691 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.295 9.191 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.525 9.955 -1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.600 9.996 -0.419 1.00 0.00 H new ATOM 215 N ASP A 15 -12.287 8.174 -0.117 1.00 0.00 N ATOM 216 CA ASP A 15 -11.053 8.111 0.684 1.00 0.00 C ATOM 217 C ASP A 15 -10.076 6.978 0.301 1.00 0.00 C ATOM 218 O ASP A 15 -8.982 6.904 0.839 1.00 0.00 O ATOM 219 CB ASP A 15 -11.496 7.894 2.138 1.00 0.00 C ATOM 220 CG ASP A 15 -12.308 6.601 2.399 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.248 5.667 1.603 1.00 0.00 O ATOM 222 OD2 ASP A 15 -13.008 6.547 3.405 1.00 0.00 O ATOM 0 H ASP A 15 -13.091 7.668 0.255 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.504 9.037 0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.609 7.880 2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.097 8.749 2.448 1.00 0.00 H new ATOM 227 N GLU A 16 -10.487 6.176 -0.693 1.00 0.00 N ATOM 228 CA GLU A 16 -9.666 5.060 -1.175 1.00 0.00 C ATOM 229 C GLU A 16 -9.112 5.427 -2.547 1.00 0.00 C ATOM 230 O GLU A 16 -9.672 6.250 -3.268 1.00 0.00 O ATOM 231 CB GLU A 16 -10.502 3.768 -1.321 1.00 0.00 C ATOM 232 CG GLU A 16 -10.571 2.899 -0.052 1.00 0.00 C ATOM 233 CD GLU A 16 -11.509 1.698 -0.269 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.388 1.035 -1.301 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.346 1.429 0.595 1.00 0.00 O ATOM 0 H GLU A 16 -11.380 6.280 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.868 4.881 -0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.516 4.039 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.084 3.171 -2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.573 2.546 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.926 3.498 0.787 1.00 0.00 H new ATOM 242 N LEU A 17 -7.998 4.740 -2.894 1.00 0.00 N ATOM 243 CA LEU A 17 -7.394 4.994 -4.217 1.00 0.00 C ATOM 244 C LEU A 17 -7.110 3.629 -4.855 1.00 0.00 C ATOM 245 O LEU A 17 -6.948 2.630 -4.168 1.00 0.00 O ATOM 246 CB LEU A 17 -6.108 5.856 -4.127 1.00 0.00 C ATOM 247 CG LEU A 17 -4.777 5.100 -3.930 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.059 5.102 -5.275 1.00 0.00 C ATOM 249 CD2 LEU A 17 -3.820 5.763 -2.951 1.00 0.00 C ATOM 0 H LEU A 17 -7.525 4.047 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.085 5.572 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.031 6.448 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.226 6.557 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.030 4.114 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.109 4.576 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.679 4.602 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.875 6.130 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.911 5.167 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.569 6.762 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.293 5.835 -1.972 1.00 0.00 H new ATOM 261 N SER A 18 -7.068 3.662 -6.186 1.00 0.00 N ATOM 262 CA SER A 18 -6.840 2.452 -6.969 1.00 0.00 C ATOM 263 C SER A 18 -5.354 2.085 -7.139 1.00 0.00 C ATOM 264 O SER A 18 -4.436 2.810 -6.798 1.00 0.00 O ATOM 265 CB SER A 18 -7.480 2.694 -8.357 1.00 0.00 C ATOM 266 OG SER A 18 -8.945 2.456 -8.302 1.00 0.00 O ATOM 0 H SER A 18 -7.188 4.509 -6.741 1.00 0.00 H new ATOM 0 HA SER A 18 -7.285 1.610 -6.439 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.283 3.716 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.025 2.032 -9.094 1.00 0.00 H new ATOM 0 HG SER A 18 -9.336 2.615 -9.187 1.00 0.00 H new ATOM 272 N PHE A 19 -5.210 0.872 -7.706 1.00 0.00 N ATOM 273 CA PHE A 19 -3.910 0.324 -8.095 1.00 0.00 C ATOM 274 C PHE A 19 -4.159 -0.903 -8.976 1.00 0.00 C ATOM 275 O PHE A 19 -5.260 -1.426 -9.064 1.00 0.00 O ATOM 276 CB PHE A 19 -2.946 0.005 -6.942 1.00 0.00 C ATOM 277 CG PHE A 19 -3.513 -0.882 -5.841 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.209 -0.345 -4.769 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.348 -2.258 -5.869 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.737 -1.151 -3.784 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.851 -3.065 -4.866 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.551 -2.512 -3.825 1.00 0.00 C ATOM 0 H PHE A 19 -5.994 0.251 -7.904 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.386 1.109 -8.640 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.061 -0.479 -7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.618 0.944 -6.496 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.340 0.725 -4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.815 -2.709 -6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.300 -0.710 -2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.692 -4.133 -4.902 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.953 -3.140 -3.044 1.00 0.00 H new ATOM 292 N LYS A 20 -3.078 -1.286 -9.675 1.00 0.00 N ATOM 293 CA LYS A 20 -3.132 -2.446 -10.555 1.00 0.00 C ATOM 294 C LYS A 20 -1.963 -3.329 -10.135 1.00 0.00 C ATOM 295 O LYS A 20 -0.877 -2.834 -9.868 1.00 0.00 O ATOM 296 CB LYS A 20 -3.138 -2.076 -12.042 1.00 0.00 C ATOM 297 CG LYS A 20 -1.804 -1.505 -12.444 1.00 0.00 C ATOM 298 CD LYS A 20 -1.807 -0.789 -13.800 1.00 0.00 C ATOM 299 CE LYS A 20 -1.127 0.583 -13.734 1.00 0.00 C ATOM 300 NZ LYS A 20 -1.558 1.475 -14.807 1.00 0.00 N ATOM 0 H LYS A 20 -2.175 -0.813 -9.644 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.073 -2.985 -10.448 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.359 -2.958 -12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.927 -1.350 -12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.476 -0.804 -11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.071 -2.311 -12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.298 -1.410 -14.537 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.835 -0.667 -14.142 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.345 1.046 -12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.046 0.452 -13.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.069 2.388 -14.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.327 1.048 -15.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.585 1.624 -14.743 1.00 0.00 H new ATOM 314 N ARG A 21 -2.251 -4.649 -10.153 1.00 0.00 N ATOM 315 CA ARG A 21 -1.276 -5.650 -9.712 1.00 0.00 C ATOM 316 C ARG A 21 0.177 -5.357 -10.174 1.00 0.00 C ATOM 317 O ARG A 21 0.558 -5.649 -11.299 1.00 0.00 O ATOM 318 CB ARG A 21 -1.723 -7.012 -10.265 1.00 0.00 C ATOM 319 CG ARG A 21 -0.744 -8.153 -9.933 1.00 0.00 C ATOM 320 CD ARG A 21 0.050 -8.608 -11.167 1.00 0.00 C ATOM 321 NE ARG A 21 0.584 -9.947 -10.966 1.00 0.00 N ATOM 322 CZ ARG A 21 1.112 -10.677 -11.969 1.00 0.00 C ATOM 323 NH1 ARG A 21 1.039 -10.295 -13.241 1.00 0.00 N ATOM 324 NH2 ARG A 21 1.719 -11.815 -11.675 1.00 0.00 N ATOM 0 H ARG A 21 -3.142 -5.035 -10.466 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.253 -5.633 -8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.706 -7.256 -9.861 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.832 -6.939 -11.347 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.052 -7.823 -9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.298 -8.999 -9.526 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.594 -8.596 -12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.865 -7.910 -11.359 1.00 0.00 H new ATOM 0 HE ARG A 21 0.558 -10.349 -10.029 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.571 -9.422 -13.485 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.451 -10.875 -13.972 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.780 -12.124 -10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.126 -12.383 -12.418 1.00 0.00 H new ATOM 338 N GLY A 22 0.948 -4.783 -9.212 1.00 0.00 N ATOM 339 CA GLY A 22 2.352 -4.471 -9.458 1.00 0.00 C ATOM 340 C GLY A 22 2.798 -3.043 -9.111 1.00 0.00 C ATOM 341 O GLY A 22 3.987 -2.754 -9.180 1.00 0.00 O ATOM 0 H GLY A 22 0.614 -4.537 -8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.964 -5.170 -8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.564 -4.650 -10.512 1.00 0.00 H new ATOM 345 N ASP A 23 1.843 -2.146 -8.763 1.00 0.00 N ATOM 346 CA ASP A 23 2.282 -0.788 -8.442 1.00 0.00 C ATOM 347 C ASP A 23 3.231 -0.739 -7.232 1.00 0.00 C ATOM 348 O ASP A 23 3.105 -1.496 -6.279 1.00 0.00 O ATOM 349 CB ASP A 23 1.083 0.119 -8.180 1.00 0.00 C ATOM 350 CG ASP A 23 0.508 0.625 -9.516 1.00 0.00 C ATOM 351 OD1 ASP A 23 1.243 1.251 -10.282 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.669 0.411 -9.764 1.00 0.00 O ATOM 0 H ASP A 23 0.841 -2.326 -8.703 1.00 0.00 H new ATOM 0 HA ASP A 23 2.834 -0.432 -9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.317 -0.426 -7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.383 0.964 -7.560 1.00 0.00 H new ATOM 357 N ILE A 24 4.160 0.232 -7.323 1.00 0.00 N ATOM 358 CA ILE A 24 5.128 0.488 -6.258 1.00 0.00 C ATOM 359 C ILE A 24 4.546 1.675 -5.488 1.00 0.00 C ATOM 360 O ILE A 24 4.532 2.788 -5.999 1.00 0.00 O ATOM 361 CB ILE A 24 6.501 0.829 -6.871 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.973 -0.270 -7.840 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.566 1.100 -5.798 1.00 0.00 C ATOM 364 CD1 ILE A 24 6.876 -1.684 -7.248 1.00 0.00 C ATOM 0 H ILE A 24 4.254 0.850 -8.129 1.00 0.00 H new ATOM 0 HA ILE A 24 5.287 -0.371 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 24 6.368 1.750 -7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.376 -0.223 -8.751 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.006 -0.073 -8.126 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.515 1.336 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.254 1.942 -5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.686 0.215 -5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.224 -2.411 -7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.495 -1.747 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.840 -1.899 -6.988 1.00 0.00 H new ATOM 376 N LEU A 25 4.140 1.413 -4.226 1.00 0.00 N ATOM 377 CA LEU A 25 3.478 2.482 -3.473 1.00 0.00 C ATOM 378 C LEU A 25 4.378 3.045 -2.390 1.00 0.00 C ATOM 379 O LEU A 25 5.344 2.435 -1.949 1.00 0.00 O ATOM 380 CB LEU A 25 2.257 1.926 -2.733 1.00 0.00 C ATOM 381 CG LEU A 25 1.155 1.421 -3.656 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.325 -0.082 -3.913 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.226 1.699 -3.054 1.00 0.00 C ATOM 0 H LEU A 25 4.252 0.525 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 25 3.214 3.250 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.577 1.110 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.849 2.704 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 25 1.232 1.953 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.531 -0.430 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.293 -0.264 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.272 -0.621 -2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.998 1.330 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.313 1.192 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.351 2.772 -2.911 1.00 0.00 H new ATOM 395 N LYS A 26 3.941 4.260 -2.000 1.00 0.00 N ATOM 396 CA LYS A 26 4.606 4.992 -0.937 1.00 0.00 C ATOM 397 C LYS A 26 3.743 4.882 0.312 1.00 0.00 C ATOM 398 O LYS A 26 2.675 5.454 0.366 1.00 0.00 O ATOM 399 CB LYS A 26 4.853 6.449 -1.324 1.00 0.00 C ATOM 400 CG LYS A 26 5.895 7.105 -0.402 1.00 0.00 C ATOM 401 CD LYS A 26 7.267 7.246 -1.073 1.00 0.00 C ATOM 402 CE LYS A 26 7.887 5.897 -1.455 1.00 0.00 C ATOM 403 NZ LYS A 26 8.357 5.144 -0.298 1.00 0.00 N ATOM 0 H LYS A 26 3.138 4.739 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 26 5.590 4.562 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.196 6.500 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.917 7.005 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.539 8.090 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.998 6.511 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.167 7.860 -1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.943 7.773 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.149 5.303 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.721 6.065 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.766 4.242 -0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.081 5.696 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.559 4.957 0.342 1.00 0.00 H new ATOM 417 N VAL A 27 4.244 4.202 1.353 1.00 0.00 N ATOM 418 CA VAL A 27 3.377 4.066 2.520 1.00 0.00 C ATOM 419 C VAL A 27 3.581 5.318 3.373 1.00 0.00 C ATOM 420 O VAL A 27 4.677 5.593 3.838 1.00 0.00 O ATOM 421 CB VAL A 27 3.753 2.773 3.243 1.00 0.00 C ATOM 422 CG1 VAL A 27 3.056 2.655 4.598 1.00 0.00 C ATOM 423 CG2 VAL A 27 3.418 1.566 2.353 1.00 0.00 C ATOM 0 H VAL A 27 5.167 3.772 1.411 1.00 0.00 H new ATOM 0 HA VAL A 27 2.319 3.994 2.268 1.00 0.00 H new ATOM 0 HB VAL A 27 4.826 2.792 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.351 1.722 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.344 3.495 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.976 2.663 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.687 0.646 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.350 1.560 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.979 1.635 1.421 1.00 0.00 H new ATOM 433 N LEU A 28 2.450 6.017 3.576 1.00 0.00 N ATOM 434 CA LEU A 28 2.467 7.285 4.292 1.00 0.00 C ATOM 435 C LEU A 28 1.230 7.420 5.172 1.00 0.00 C ATOM 436 O LEU A 28 0.238 8.047 4.817 1.00 0.00 O ATOM 437 CB LEU A 28 2.413 8.403 3.238 1.00 0.00 C ATOM 438 CG LEU A 28 2.656 9.790 3.841 1.00 0.00 C ATOM 439 CD1 LEU A 28 4.098 9.913 4.316 1.00 0.00 C ATOM 440 CD2 LEU A 28 2.322 10.893 2.837 1.00 0.00 C ATOM 0 H LEU A 28 1.528 5.722 3.255 1.00 0.00 H new ATOM 0 HA LEU A 28 3.359 7.342 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.160 8.209 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.440 8.389 2.748 1.00 0.00 H new ATOM 0 HG LEU A 28 1.994 9.910 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.257 10.903 4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.297 9.155 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.773 9.768 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.504 11.867 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.950 10.783 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.273 10.817 2.549 1.00 0.00 H new ATOM 536 N ASN A 35 -6.057 -3.171 8.729 1.00 0.00 N ATOM 537 CA ASN A 35 -6.615 -3.771 7.526 1.00 0.00 C ATOM 538 C ASN A 35 -6.417 -2.857 6.289 1.00 0.00 C ATOM 539 O ASN A 35 -6.596 -3.334 5.178 1.00 0.00 O ATOM 540 CB ASN A 35 -8.124 -4.027 7.676 1.00 0.00 C ATOM 541 CG ASN A 35 -8.469 -5.406 8.258 1.00 0.00 C ATOM 542 OD1 ASN A 35 -9.214 -5.561 9.215 1.00 0.00 O ATOM 543 ND2 ASN A 35 -7.906 -6.386 7.563 1.00 0.00 N ATOM 0 HA ASN A 35 -6.085 -4.713 7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.551 -3.256 8.318 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.598 -3.927 6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.084 -7.358 7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.295 -6.167 6.776 1.00 0.00 H new ATOM 550 N TRP A 36 -6.061 -1.564 6.492 1.00 0.00 N ATOM 551 CA TRP A 36 -5.884 -0.626 5.360 1.00 0.00 C ATOM 552 C TRP A 36 -4.605 0.225 5.593 1.00 0.00 C ATOM 553 O TRP A 36 -4.212 0.455 6.730 1.00 0.00 O ATOM 554 CB TRP A 36 -7.142 0.290 5.221 1.00 0.00 C ATOM 555 CG TRP A 36 -8.384 -0.523 4.866 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.094 -1.326 5.774 1.00 0.00 C ATOM 557 CD2 TRP A 36 -8.987 -0.734 3.557 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.043 -2.005 5.088 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.015 -1.684 3.731 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.759 -0.233 2.301 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.751 -2.100 2.656 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.518 -0.637 1.209 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.519 -1.579 1.387 1.00 0.00 C ATOM 0 H TRP A 36 -5.894 -1.155 7.411 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.770 -1.188 4.433 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.310 0.825 6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.964 1.041 4.451 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.914 -1.391 6.837 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.695 -2.667 5.509 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.972 0.492 2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.523 -2.843 2.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.329 -0.221 0.230 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.114 -1.906 0.547 1.00 0.00 H new ATOM 574 N TYR A 37 -3.996 0.695 4.477 1.00 0.00 N ATOM 575 CA TYR A 37 -2.789 1.538 4.543 1.00 0.00 C ATOM 576 C TYR A 37 -3.112 2.788 3.709 1.00 0.00 C ATOM 577 O TYR A 37 -3.885 2.740 2.762 1.00 0.00 O ATOM 578 CB TYR A 37 -1.547 0.920 3.826 1.00 0.00 C ATOM 579 CG TYR A 37 -0.919 -0.276 4.516 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.646 -0.229 5.864 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.588 -1.437 3.838 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.087 -1.284 6.550 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.001 -2.511 4.504 1.00 0.00 C ATOM 584 CZ TYR A 37 0.257 -2.471 5.878 1.00 0.00 C ATOM 585 OH TYR A 37 0.860 -3.613 6.427 1.00 0.00 O ATOM 0 H TYR A 37 -4.322 0.503 3.530 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.554 1.693 5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.842 0.623 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.788 1.695 3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.880 0.674 6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.787 -1.511 2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.089 -1.199 7.612 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.261 -3.397 3.945 1.00 0.00 H new ATOM 0 HH TYR A 37 0.167 -4.228 6.746 1.00 0.00 H new ATOM 595 N LYS A 38 -2.512 3.910 4.154 1.00 0.00 N ATOM 596 CA LYS A 38 -2.664 5.161 3.428 1.00 0.00 C ATOM 597 C LYS A 38 -1.345 5.310 2.658 1.00 0.00 C ATOM 598 O LYS A 38 -0.304 5.458 3.284 1.00 0.00 O ATOM 599 CB LYS A 38 -2.889 6.318 4.408 1.00 0.00 C ATOM 600 CG LYS A 38 -3.742 7.425 3.781 1.00 0.00 C ATOM 601 CD LYS A 38 -3.408 8.799 4.358 1.00 0.00 C ATOM 602 CE LYS A 38 -4.104 9.042 5.700 1.00 0.00 C ATOM 603 NZ LYS A 38 -3.728 10.314 6.304 1.00 0.00 N ATOM 0 H LYS A 38 -1.934 3.965 4.993 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.524 5.170 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.379 5.945 5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.927 6.728 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.585 7.437 2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.797 7.208 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.329 8.885 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.706 9.572 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.184 9.018 5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.857 8.231 6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.227 10.429 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.701 10.330 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.987 11.092 5.665 1.00 0.00 H new ATOM 617 N ALA A 39 -1.420 5.293 1.311 1.00 0.00 N ATOM 618 CA ALA A 39 -0.188 5.375 0.530 1.00 0.00 C ATOM 619 C ALA A 39 -0.358 6.299 -0.670 1.00 0.00 C ATOM 620 O ALA A 39 -1.445 6.792 -0.932 1.00 0.00 O ATOM 621 CB ALA A 39 0.225 3.970 0.075 1.00 0.00 C ATOM 0 H ALA A 39 -2.282 5.226 0.770 1.00 0.00 H new ATOM 0 HA ALA A 39 0.597 5.794 1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.144 4.032 -0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.390 3.339 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.566 3.539 -0.539 1.00 0.00 H new ATOM 627 N GLU A 40 0.796 6.517 -1.354 1.00 0.00 N ATOM 628 CA GLU A 40 0.810 7.385 -2.515 1.00 0.00 C ATOM 629 C GLU A 40 1.009 6.562 -3.810 1.00 0.00 C ATOM 630 O GLU A 40 1.828 5.660 -3.889 1.00 0.00 O ATOM 631 CB GLU A 40 1.930 8.431 -2.348 1.00 0.00 C ATOM 632 CG GLU A 40 1.470 9.850 -2.700 1.00 0.00 C ATOM 633 CD GLU A 40 2.650 10.826 -2.597 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.114 11.076 -1.484 1.00 0.00 O ATOM 635 OE2 GLU A 40 3.103 11.318 -3.629 1.00 0.00 O ATOM 0 H GLU A 40 1.698 6.105 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.148 7.898 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.287 8.414 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.774 8.159 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.060 9.868 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.671 10.160 -2.026 1.00 0.00 H new ATOM 642 N LEU A 41 0.262 7.063 -4.807 1.00 0.00 N ATOM 643 CA LEU A 41 0.184 6.566 -6.172 1.00 0.00 C ATOM 644 C LEU A 41 -0.305 7.549 -7.198 1.00 0.00 C ATOM 645 O LEU A 41 -1.407 8.025 -7.066 1.00 0.00 O ATOM 646 CB LEU A 41 -0.757 5.346 -6.304 1.00 0.00 C ATOM 647 CG LEU A 41 -0.128 3.980 -6.099 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.209 2.962 -5.743 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.445 3.645 -7.489 1.00 0.00 C ATOM 0 H LEU A 41 -0.337 7.876 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 41 1.227 6.321 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.567 5.460 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.208 5.369 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 41 0.615 3.964 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.753 1.983 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.710 3.269 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.937 2.906 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.928 2.668 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.363 3.627 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.176 4.402 -7.774 1.00 0.00 H new ATOM 661 N ASN A 42 0.548 7.869 -8.240 1.00 0.00 N ATOM 662 CA ASN A 42 -0.146 8.717 -9.216 1.00 0.00 C ATOM 663 C ASN A 42 -0.666 10.094 -8.758 1.00 0.00 C ATOM 664 O ASN A 42 -1.707 10.572 -9.188 1.00 0.00 O ATOM 665 CB ASN A 42 -1.075 7.737 -9.972 1.00 0.00 C ATOM 666 CG ASN A 42 -2.567 8.007 -9.899 1.00 0.00 C ATOM 667 OD1 ASN A 42 -3.173 8.885 -10.503 1.00 0.00 O ATOM 668 ND2 ASN A 42 -3.054 7.107 -9.029 1.00 0.00 N ATOM 0 H ASN A 42 1.521 7.606 -8.395 1.00 0.00 H new ATOM 0 HA ASN A 42 0.542 9.188 -9.918 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.782 7.734 -11.022 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.893 6.733 -9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.048 7.104 -8.801 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.430 6.427 -8.596 1.00 0.00 H new ATOM 675 N GLY A 43 0.088 10.703 -7.823 1.00 0.00 N ATOM 676 CA GLY A 43 -0.399 11.996 -7.341 1.00 0.00 C ATOM 677 C GLY A 43 -1.793 11.891 -6.680 1.00 0.00 C ATOM 678 O GLY A 43 -2.542 12.854 -6.616 1.00 0.00 O ATOM 0 H GLY A 43 0.958 10.356 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.311 12.404 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.447 12.697 -8.174 1.00 0.00 H new ATOM 682 N LYS A 44 -2.103 10.653 -6.232 1.00 0.00 N ATOM 683 CA LYS A 44 -3.345 10.303 -5.566 1.00 0.00 C ATOM 684 C LYS A 44 -2.937 9.495 -4.325 1.00 0.00 C ATOM 685 O LYS A 44 -2.068 8.640 -4.384 1.00 0.00 O ATOM 686 CB LYS A 44 -4.216 9.482 -6.540 1.00 0.00 C ATOM 687 CG LYS A 44 -5.056 10.380 -7.456 1.00 0.00 C ATOM 688 CD LYS A 44 -6.462 10.626 -6.898 1.00 0.00 C ATOM 689 CE LYS A 44 -7.475 9.595 -7.408 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.940 9.904 -8.759 1.00 0.00 N ATOM 0 H LYS A 44 -1.469 9.860 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.935 11.169 -5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.576 8.842 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.875 8.826 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.548 11.335 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.134 9.920 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.430 10.593 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.792 11.627 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.020 8.605 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.328 9.560 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.623 9.182 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.398 10.838 -8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.130 9.913 -9.411 1.00 0.00 H new ATOM 704 N ASP A 45 -3.605 9.802 -3.205 1.00 0.00 N ATOM 705 CA ASP A 45 -3.306 9.133 -1.945 1.00 0.00 C ATOM 706 C ASP A 45 -4.652 8.655 -1.369 1.00 0.00 C ATOM 707 O ASP A 45 -5.687 9.291 -1.534 1.00 0.00 O ATOM 708 CB ASP A 45 -2.613 10.097 -0.960 1.00 0.00 C ATOM 709 CG ASP A 45 -3.497 11.287 -0.514 1.00 0.00 C ATOM 710 OD1 ASP A 45 -4.179 11.876 -1.351 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.499 11.606 0.674 1.00 0.00 O ATOM 0 H ASP A 45 -4.346 10.501 -3.151 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.625 8.297 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.303 9.537 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.707 10.485 -1.425 1.00 0.00 H new ATOM 716 N GLY A 46 -4.579 7.497 -0.699 1.00 0.00 N ATOM 717 CA GLY A 46 -5.833 6.981 -0.161 1.00 0.00 C ATOM 718 C GLY A 46 -5.664 5.622 0.500 1.00 0.00 C ATOM 719 O GLY A 46 -4.589 5.036 0.488 1.00 0.00 O ATOM 0 H GLY A 46 -3.740 6.943 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.232 7.689 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.565 6.903 -0.965 1.00 0.00 H new ATOM 723 N PHE A 47 -6.811 5.133 1.031 1.00 0.00 N ATOM 724 CA PHE A 47 -6.791 3.830 1.675 1.00 0.00 C ATOM 725 C PHE A 47 -6.773 2.719 0.588 1.00 0.00 C ATOM 726 O PHE A 47 -7.370 2.809 -0.480 1.00 0.00 O ATOM 727 CB PHE A 47 -8.037 3.665 2.583 1.00 0.00 C ATOM 728 CG PHE A 47 -8.008 4.591 3.785 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.059 4.444 4.782 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.912 5.629 3.914 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.993 5.315 5.852 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.843 6.511 4.970 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.894 6.350 5.953 1.00 0.00 C ATOM 0 H PHE A 47 -7.714 5.607 1.021 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.897 3.747 2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.936 3.861 1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.098 2.632 2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.353 3.629 4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.688 5.751 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.234 5.184 6.609 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.539 7.335 5.027 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.857 7.027 6.793 1.00 0.00 H new ATOM 743 N ILE A 48 -6.002 1.678 0.961 1.00 0.00 N ATOM 744 CA ILE A 48 -5.809 0.469 0.165 1.00 0.00 C ATOM 745 C ILE A 48 -5.732 -0.697 1.167 1.00 0.00 C ATOM 746 O ILE A 48 -5.143 -0.540 2.222 1.00 0.00 O ATOM 747 CB ILE A 48 -4.520 0.579 -0.659 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.298 0.958 0.202 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.696 1.601 -1.793 1.00 0.00 C ATOM 750 CD1 ILE A 48 -2.092 0.055 -0.054 1.00 0.00 C ATOM 0 H ILE A 48 -5.490 1.663 1.843 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.624 0.316 -0.543 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.329 -0.408 -1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.022 1.992 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.570 0.903 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.773 1.668 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.509 1.283 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.931 2.577 -1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.262 0.368 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.355 -0.977 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.798 0.129 -1.101 1.00 0.00 H new ATOM 762 N PRO A 49 -6.267 -1.897 0.830 1.00 0.00 N ATOM 763 CA PRO A 49 -6.248 -2.982 1.805 1.00 0.00 C ATOM 764 C PRO A 49 -4.907 -3.702 1.992 1.00 0.00 C ATOM 765 O PRO A 49 -4.175 -3.929 1.037 1.00 0.00 O ATOM 766 CB PRO A 49 -7.311 -3.957 1.323 1.00 0.00 C ATOM 767 CG PRO A 49 -7.615 -3.604 -0.134 1.00 0.00 C ATOM 768 CD PRO A 49 -6.956 -2.262 -0.423 1.00 0.00 C ATOM 0 HA PRO A 49 -6.434 -2.562 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.957 -4.985 1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.210 -3.880 1.934 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.230 -4.373 -0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.691 -3.547 -0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.253 -2.338 -1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.696 -1.511 -0.700 1.00 0.00 H new ATOM 776 N LYS A 50 -4.687 -4.157 3.252 1.00 0.00 N ATOM 777 CA LYS A 50 -3.431 -4.857 3.491 1.00 0.00 C ATOM 778 C LYS A 50 -3.427 -6.224 2.795 1.00 0.00 C ATOM 779 O LYS A 50 -2.452 -6.525 2.128 1.00 0.00 O ATOM 780 CB LYS A 50 -3.274 -5.172 4.977 1.00 0.00 C ATOM 781 CG LYS A 50 -3.146 -3.924 5.844 1.00 0.00 C ATOM 782 CD LYS A 50 -3.066 -4.192 7.367 1.00 0.00 C ATOM 783 CE LYS A 50 -3.219 -5.650 7.821 1.00 0.00 C ATOM 784 NZ LYS A 50 -2.669 -5.877 9.153 1.00 0.00 N ATOM 0 H LYS A 50 -5.315 -4.057 4.050 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.637 -4.209 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.134 -5.753 5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.392 -5.797 5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.254 -3.378 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.000 -3.275 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.106 -3.823 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.839 -3.600 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.275 -5.921 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.718 -6.305 7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.796 -6.875 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.655 -5.645 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.163 -5.273 9.840 1.00 0.00 H new ATOM 798 N ASN A 51 -4.526 -7.016 2.912 1.00 0.00 N ATOM 799 CA ASN A 51 -4.422 -8.334 2.255 1.00 0.00 C ATOM 800 C ASN A 51 -4.239 -8.303 0.709 1.00 0.00 C ATOM 801 O ASN A 51 -3.922 -9.334 0.137 1.00 0.00 O ATOM 802 CB ASN A 51 -5.471 -9.348 2.757 1.00 0.00 C ATOM 803 CG ASN A 51 -6.954 -8.948 2.695 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.621 -8.843 3.715 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.441 -8.766 1.461 1.00 0.00 N ATOM 0 H ASN A 51 -5.397 -6.798 3.397 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.461 -8.722 2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.349 -10.266 2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.234 -9.588 3.794 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.423 -8.524 1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.830 -8.869 0.651 1.00 0.00 H new ATOM 812 N TYR A 52 -4.342 -7.107 0.074 1.00 0.00 N ATOM 813 CA TYR A 52 -4.110 -6.990 -1.387 1.00 0.00 C ATOM 814 C TYR A 52 -2.632 -6.610 -1.705 1.00 0.00 C ATOM 815 O TYR A 52 -2.250 -6.655 -2.866 1.00 0.00 O ATOM 816 CB TYR A 52 -5.076 -5.981 -2.044 1.00 0.00 C ATOM 817 CG TYR A 52 -6.387 -6.612 -2.464 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.203 -7.254 -1.552 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.825 -6.580 -3.777 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.391 -7.874 -1.950 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.988 -7.204 -4.187 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.834 -7.852 -3.284 1.00 0.00 C ATOM 823 OH TYR A 52 -10.053 -8.476 -3.643 1.00 0.00 O ATOM 0 H TYR A 52 -4.578 -6.230 0.538 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.309 -7.973 -1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.276 -5.169 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.595 -5.539 -2.917 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.917 -7.277 -0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.236 -6.047 -4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.987 -8.386 -1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.250 -7.190 -5.235 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.435 -8.924 -2.859 1.00 0.00 H new ATOM 833 N ILE A 53 -1.830 -6.227 -0.675 1.00 0.00 N ATOM 834 CA ILE A 53 -0.413 -5.862 -0.912 1.00 0.00 C ATOM 835 C ILE A 53 0.479 -6.689 0.044 1.00 0.00 C ATOM 836 O ILE A 53 0.019 -7.318 0.988 1.00 0.00 O ATOM 837 CB ILE A 53 -0.141 -4.309 -0.820 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.121 -3.880 -0.020 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.347 -3.432 -0.462 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.189 -2.436 0.406 1.00 0.00 C ATOM 0 H ILE A 53 -2.131 -6.165 0.298 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.158 -6.112 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 53 0.082 -4.103 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.187 -4.502 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.000 -4.098 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.040 -2.387 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.124 -3.557 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.735 -3.728 0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.114 -2.262 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.164 -1.795 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.338 -2.205 1.047 1.00 0.00 H new ATOM 852 N GLU A 54 1.791 -6.597 -0.269 1.00 0.00 N ATOM 853 CA GLU A 54 2.828 -7.231 0.528 1.00 0.00 C ATOM 854 C GLU A 54 3.708 -6.050 0.957 1.00 0.00 C ATOM 855 O GLU A 54 4.004 -5.139 0.192 1.00 0.00 O ATOM 856 CB GLU A 54 3.680 -8.208 -0.312 1.00 0.00 C ATOM 857 CG GLU A 54 4.956 -8.657 0.432 1.00 0.00 C ATOM 858 CD GLU A 54 5.358 -10.096 0.077 1.00 0.00 C ATOM 859 OE1 GLU A 54 4.697 -11.019 0.556 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.322 -10.283 -0.663 1.00 0.00 O ATOM 0 H GLU A 54 2.143 -6.083 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 54 2.411 -7.812 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.082 -9.083 -0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.958 -7.730 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.775 -7.981 0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.793 -8.582 1.507 1.00 0.00 H new ATOM 867 N MET A 55 4.076 -6.105 2.246 1.00 0.00 N ATOM 868 CA MET A 55 4.919 -5.066 2.819 1.00 0.00 C ATOM 869 C MET A 55 6.392 -5.373 2.550 1.00 0.00 C ATOM 870 O MET A 55 6.773 -6.472 2.168 1.00 0.00 O ATOM 871 CB MET A 55 4.682 -4.963 4.327 1.00 0.00 C ATOM 872 CG MET A 55 3.202 -4.832 4.683 1.00 0.00 C ATOM 873 SD MET A 55 2.605 -6.328 5.495 1.00 0.00 S ATOM 874 CE MET A 55 0.988 -6.456 4.704 1.00 0.00 C ATOM 0 H MET A 55 3.806 -6.845 2.893 1.00 0.00 H new ATOM 0 HA MET A 55 4.661 -4.115 2.352 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.093 -5.846 4.816 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.223 -4.101 4.718 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.055 -3.974 5.339 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.621 -4.646 3.780 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.365 -7.156 5.260 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.510 -5.476 4.692 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.110 -6.813 3.681 1.00 0.00 H new ATOM 943 N PRO B 2 -8.465 -12.710 -6.477 1.00 0.00 N ATOM 944 CA PRO B 2 -7.982 -12.054 -5.295 1.00 0.00 C ATOM 945 C PRO B 2 -8.789 -12.330 -3.999 1.00 0.00 C ATOM 946 O PRO B 2 -9.952 -12.716 -4.028 1.00 0.00 O ATOM 947 CB PRO B 2 -7.922 -10.576 -5.628 1.00 0.00 C ATOM 948 CG PRO B 2 -8.409 -10.387 -7.060 1.00 0.00 C ATOM 949 CD PRO B 2 -8.852 -11.766 -7.537 1.00 0.00 C ATOM 0 HA PRO B 2 -7.002 -12.462 -5.046 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.543 -10.006 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.903 -10.204 -5.521 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -9.234 -9.676 -7.101 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.615 -9.991 -7.693 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.928 -11.792 -7.708 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.373 -12.024 -8.482 1.00 0.00 H new ATOM 957 N PRO B 3 -8.084 -12.095 -2.849 1.00 0.00 N ATOM 958 CA PRO B 3 -8.678 -12.251 -1.520 1.00 0.00 C ATOM 959 C PRO B 3 -9.914 -11.381 -1.230 1.00 0.00 C ATOM 960 O PRO B 3 -10.115 -10.328 -1.812 1.00 0.00 O ATOM 961 CB PRO B 3 -7.581 -11.768 -0.544 1.00 0.00 C ATOM 962 CG PRO B 3 -6.269 -11.694 -1.329 1.00 0.00 C ATOM 963 CD PRO B 3 -6.633 -11.842 -2.809 1.00 0.00 C ATOM 0 HA PRO B 3 -9.006 -13.286 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.837 -10.792 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.487 -12.455 0.297 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.763 -10.746 -1.148 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.586 -12.485 -1.017 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.379 -10.939 -3.365 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.081 -12.664 -3.266 1.00 0.00 H new ATOM 971 N PRO B 4 -10.719 -11.832 -0.228 1.00 0.00 N ATOM 972 CA PRO B 4 -11.874 -11.055 0.218 1.00 0.00 C ATOM 973 C PRO B 4 -11.307 -9.829 0.940 1.00 0.00 C ATOM 974 O PRO B 4 -10.612 -9.946 1.941 1.00 0.00 O ATOM 975 CB PRO B 4 -12.591 -11.954 1.238 1.00 0.00 C ATOM 976 CG PRO B 4 -11.634 -13.114 1.552 1.00 0.00 C ATOM 977 CD PRO B 4 -10.520 -13.079 0.503 1.00 0.00 C ATOM 0 HA PRO B 4 -12.545 -10.749 -0.585 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -12.833 -11.396 2.143 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.531 -12.327 0.832 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.221 -13.011 2.555 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.162 -14.067 1.521 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.537 -13.107 0.972 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.580 -13.940 -0.163 1.00 0.00 H new ATOM 985 N VAL B 5 -11.658 -8.661 0.390 1.00 0.00 N ATOM 986 CA VAL B 5 -11.137 -7.414 0.942 1.00 0.00 C ATOM 987 C VAL B 5 -11.676 -7.236 2.377 1.00 0.00 C ATOM 988 O VAL B 5 -12.743 -7.747 2.701 1.00 0.00 O ATOM 989 CB VAL B 5 -11.521 -6.239 0.043 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.818 -4.962 0.423 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.205 -6.426 -1.421 1.00 0.00 C ATOM 0 H VAL B 5 -12.281 -8.557 -0.411 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.048 -7.448 0.983 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.599 -6.187 0.194 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.129 -4.162 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -11.076 -4.696 1.448 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.740 -5.103 0.345 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.514 -5.540 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.133 -6.576 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -11.740 -7.297 -1.800 1.00 0.00 H new ATOM 1001 N PRO B 6 -10.877 -6.566 3.253 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.317 -6.316 4.612 1.00 0.00 C ATOM 1003 C PRO B 6 -12.517 -5.368 4.724 1.00 0.00 C ATOM 1004 O PRO B 6 -12.777 -4.545 3.857 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.115 -5.649 5.289 1.00 0.00 C ATOM 1006 CG PRO B 6 -8.894 -5.877 4.412 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.464 -6.244 3.051 1.00 0.00 C ATOM 0 HA PRO B 6 -11.642 -7.254 5.062 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.296 -4.582 5.421 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -9.955 -6.070 6.282 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.274 -4.982 4.354 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.265 -6.675 4.807 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.353 -5.416 2.350 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -8.931 -7.095 2.626 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.206 -5.483 5.888 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.330 -4.596 6.172 1.00 0.00 C ATOM 1017 C PRO B 7 -13.727 -3.259 6.634 1.00 0.00 C ATOM 1018 O PRO B 7 -13.037 -3.215 7.645 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.035 -5.252 7.369 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.009 -6.208 8.004 1.00 0.00 C ATOM 1021 CD PRO B 7 -12.930 -6.461 6.943 1.00 0.00 C ATOM 0 HA PRO B 7 -15.001 -4.438 5.328 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.362 -4.500 8.087 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -15.924 -5.794 7.047 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.574 -5.769 8.902 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.484 -7.142 8.304 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -11.930 -6.326 7.356 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -12.982 -7.480 6.561 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.015 -2.185 5.865 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.449 -0.898 6.271 1.00 0.00 C ATOM 1031 C ARG B 8 -14.286 -0.318 7.413 1.00 0.00 C ATOM 1032 O ARG B 8 -15.449 -0.654 7.603 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.241 0.119 5.120 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.823 -0.207 3.732 1.00 0.00 C ATOM 1035 CD ARG B 8 -15.141 0.531 3.486 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.782 0.048 2.273 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.547 -1.062 2.244 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -16.731 -1.819 3.319 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -17.136 -1.401 1.109 1.00 0.00 N ATOM 0 H ARG B 8 -14.592 -2.183 5.024 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.435 -1.096 6.618 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -13.663 1.072 5.440 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.168 0.270 5.002 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.103 0.067 2.961 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -13.986 -1.282 3.648 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.807 0.389 4.337 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -14.954 1.602 3.403 1.00 0.00 H new ATOM 0 HE ARG B 8 -15.647 0.571 1.408 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -16.287 -1.567 4.202 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -17.316 -2.652 3.262 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -17.007 -0.826 0.276 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.719 -2.237 1.067 1.00 0.00 H new