USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 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 8 ASN : amide:sc= -0.483 K(o=-0.48,f=-4!) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot 150:sc= -0.78 USER MOD Set 2.2: A 53 THR OG1 : rot 133:sc= -0.293 USER MOD Set 3.1: A 31 LYS NZ :NH3+ -165:sc= 0 (180deg=0) USER MOD Set 3.2: A 35 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.8!) USER MOD Single : A 1 THR N :NH3+ 149:sc= 0.302 (180deg=0.0606) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -150:sc= -0.477 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc=-0.00411 K(o=-0.0041,f=-1.2) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -51:sc= 0.998 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= -4.91! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 14.876 2.295 3.541 1.00 0.00 N ATOM 2 CA THR A 1 13.777 2.829 2.686 1.00 0.00 C ATOM 3 C THR A 1 12.416 2.457 3.281 1.00 0.00 C ATOM 4 O THR A 1 12.056 1.297 3.350 1.00 0.00 O ATOM 5 CB THR A 1 13.970 2.155 1.326 1.00 0.00 C ATOM 6 OG1 THR A 1 15.342 2.215 0.962 1.00 0.00 O ATOM 7 CG2 THR A 1 13.129 2.876 0.273 1.00 0.00 C ATOM 0 H1 THR A 1 15.700 2.071 2.947 1.00 0.00 H new ATOM 0 H2 THR A 1 15.143 3.009 4.249 1.00 0.00 H new ATOM 0 H3 THR A 1 14.552 1.433 4.024 1.00 0.00 H new ATOM 0 HA THR A 1 13.804 3.916 2.610 1.00 0.00 H new ATOM 0 HB THR A 1 13.654 1.114 1.387 1.00 0.00 H new ATOM 0 HG1 THR A 1 15.469 1.782 0.092 1.00 0.00 H new ATOM 0 HG21 THR A 1 13.268 2.395 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 1 12.077 2.830 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 1 13.442 3.918 0.208 1.00 0.00 H new ATOM 17 N THR A 2 11.661 3.436 3.710 1.00 0.00 N ATOM 18 CA THR A 2 10.321 3.150 4.304 1.00 0.00 C ATOM 19 C THR A 2 9.216 3.452 3.289 1.00 0.00 C ATOM 20 O THR A 2 8.783 4.580 3.149 1.00 0.00 O ATOM 21 CB THR A 2 10.213 4.087 5.508 1.00 0.00 C ATOM 22 OG1 THR A 2 11.446 4.090 6.214 1.00 0.00 O ATOM 23 CG2 THR A 2 9.094 3.609 6.435 1.00 0.00 C ATOM 0 H THR A 2 11.916 4.423 3.674 1.00 0.00 H new ATOM 0 HA THR A 2 10.212 2.104 4.590 1.00 0.00 H new ATOM 0 HB THR A 2 9.987 5.096 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.380 4.691 6.985 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.020 4.279 7.292 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.148 3.607 5.893 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.315 2.600 6.782 1.00 0.00 H new ATOM 31 N PHE A 3 8.759 2.449 2.585 1.00 0.00 N ATOM 32 CA PHE A 3 7.678 2.667 1.575 1.00 0.00 C ATOM 33 C PHE A 3 6.409 3.171 2.268 1.00 0.00 C ATOM 34 O PHE A 3 6.326 3.192 3.481 1.00 0.00 O ATOM 35 CB PHE A 3 7.447 1.296 0.935 1.00 0.00 C ATOM 36 CG PHE A 3 8.706 0.870 0.218 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.215 1.656 -0.823 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.370 -0.305 0.598 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.385 1.269 -1.485 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.541 -0.692 -0.066 1.00 0.00 C ATOM 41 CZ PHE A 3 11.048 0.096 -1.106 1.00 0.00 C ATOM 0 H PHE A 3 9.088 1.487 2.665 1.00 0.00 H new ATOM 0 HA PHE A 3 7.948 3.415 0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.182 0.564 1.698 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.613 1.343 0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.704 2.562 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.979 -0.911 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.777 1.875 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.052 -1.598 0.224 1.00 0.00 H new ATOM 0 HZ PHE A 3 11.952 -0.202 -1.617 1.00 0.00 H new ATOM 51 N LYS A 4 5.426 3.586 1.508 1.00 0.00 N ATOM 52 CA LYS A 4 4.165 4.099 2.125 1.00 0.00 C ATOM 53 C LYS A 4 2.949 3.693 1.288 1.00 0.00 C ATOM 54 O LYS A 4 3.012 3.641 0.076 1.00 0.00 O ATOM 55 CB LYS A 4 4.317 5.622 2.122 1.00 0.00 C ATOM 56 CG LYS A 4 3.592 6.217 3.330 1.00 0.00 C ATOM 57 CD LYS A 4 3.429 7.725 3.132 1.00 0.00 C ATOM 58 CE LYS A 4 2.026 8.026 2.599 1.00 0.00 C ATOM 59 NZ LYS A 4 1.597 9.256 3.320 1.00 0.00 N ATOM 0 H LYS A 4 5.443 3.592 0.488 1.00 0.00 H new ATOM 0 HA LYS A 4 4.010 3.696 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.373 5.891 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.908 6.036 1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.616 5.747 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.156 6.017 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.589 8.245 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.181 8.093 2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.039 8.185 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.344 7.197 2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.642 9.526 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.588 9.073 4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.261 10.029 3.113 1.00 0.00 H new ATOM 73 N LEU A 5 1.840 3.424 1.929 1.00 0.00 N ATOM 74 CA LEU A 5 0.605 3.041 1.180 1.00 0.00 C ATOM 75 C LEU A 5 -0.627 3.557 1.923 1.00 0.00 C ATOM 76 O LEU A 5 -0.751 3.399 3.123 1.00 0.00 O ATOM 77 CB LEU A 5 0.601 1.509 1.130 1.00 0.00 C ATOM 78 CG LEU A 5 -0.156 1.033 -0.126 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.674 -0.016 -0.876 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.496 0.417 0.286 1.00 0.00 C ATOM 0 H LEU A 5 1.737 3.453 2.943 1.00 0.00 H new ATOM 0 HA LEU A 5 0.586 3.467 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.624 1.133 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.128 1.107 2.026 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.329 1.888 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.130 -0.345 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.626 0.421 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.856 -0.870 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.030 0.081 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.319 -0.432 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.094 1.163 0.808 1.00 0.00 H new ATOM 92 N ILE A 6 -1.533 4.180 1.218 1.00 0.00 N ATOM 93 CA ILE A 6 -2.760 4.721 1.871 1.00 0.00 C ATOM 94 C ILE A 6 -3.955 3.802 1.598 1.00 0.00 C ATOM 95 O ILE A 6 -4.216 3.425 0.471 1.00 0.00 O ATOM 96 CB ILE A 6 -2.955 6.097 1.226 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.762 6.996 1.590 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.263 6.738 1.713 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.701 7.221 3.106 1.00 0.00 C ATOM 0 H ILE A 6 -1.475 4.338 0.212 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.672 4.788 2.955 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.012 5.982 0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.835 6.536 1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.851 7.954 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.386 7.715 1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.104 6.099 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.229 6.856 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.851 7.859 3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.621 7.702 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.588 6.262 3.612 1.00 0.00 H new ATOM 111 N ILE A 7 -4.680 3.445 2.627 1.00 0.00 N ATOM 112 CA ILE A 7 -5.863 2.552 2.445 1.00 0.00 C ATOM 113 C ILE A 7 -7.085 3.383 2.041 1.00 0.00 C ATOM 114 O ILE A 7 -7.503 4.274 2.755 1.00 0.00 O ATOM 115 CB ILE A 7 -6.084 1.896 3.814 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.822 1.122 4.235 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.276 0.935 3.743 1.00 0.00 C ATOM 118 CD1 ILE A 7 -4.499 0.028 3.209 1.00 0.00 C ATOM 0 H ILE A 7 -4.503 3.735 3.589 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.707 1.809 1.663 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.290 2.673 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.979 1.808 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.973 0.675 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.429 0.472 4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.172 1.487 3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.076 0.162 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.604 -0.510 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.336 -0.667 3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.327 0.483 2.234 1.00 0.00 H new ATOM 130 N ASN A 8 -7.658 3.093 0.901 1.00 0.00 N ATOM 131 CA ASN A 8 -8.855 3.857 0.442 1.00 0.00 C ATOM 132 C ASN A 8 -10.063 2.924 0.350 1.00 0.00 C ATOM 133 O ASN A 8 -10.723 2.843 -0.669 1.00 0.00 O ATOM 134 CB ASN A 8 -8.479 4.394 -0.942 1.00 0.00 C ATOM 135 CG ASN A 8 -7.684 5.694 -0.792 1.00 0.00 C ATOM 136 OD1 ASN A 8 -7.111 5.955 0.247 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.624 6.526 -1.796 1.00 0.00 N ATOM 0 H ASN A 8 -7.347 2.357 0.267 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.124 4.662 1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.887 3.654 -1.481 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.379 4.572 -1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.096 7.394 -1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.105 6.308 -2.669 1.00 0.00 H new ATOM 144 N GLY A 9 -10.352 2.217 1.412 1.00 0.00 N ATOM 145 CA GLY A 9 -11.512 1.281 1.403 1.00 0.00 C ATOM 146 C GLY A 9 -12.797 2.056 1.698 1.00 0.00 C ATOM 147 O GLY A 9 -12.794 3.019 2.441 1.00 0.00 O ATOM 0 H GLY A 9 -9.831 2.249 2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.587 0.788 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.367 0.499 2.148 1.00 0.00 H new ATOM 151 N LYS A 10 -13.895 1.642 1.116 1.00 0.00 N ATOM 152 CA LYS A 10 -15.193 2.347 1.350 1.00 0.00 C ATOM 153 C LYS A 10 -15.505 2.421 2.849 1.00 0.00 C ATOM 154 O LYS A 10 -16.113 3.365 3.319 1.00 0.00 O ATOM 155 CB LYS A 10 -16.246 1.503 0.628 1.00 0.00 C ATOM 156 CG LYS A 10 -15.932 1.465 -0.870 1.00 0.00 C ATOM 157 CD LYS A 10 -17.196 1.095 -1.649 1.00 0.00 C ATOM 158 CE LYS A 10 -17.192 1.811 -3.002 1.00 0.00 C ATOM 159 NZ LYS A 10 -17.997 0.938 -3.901 1.00 0.00 N ATOM 0 H LYS A 10 -13.948 0.842 0.486 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.168 3.373 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.257 0.491 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.238 1.923 0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.561 2.436 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.144 0.738 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.242 0.016 -1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.082 1.376 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.629 2.807 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.177 1.937 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.041 1.363 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.553 -0.001 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.960 0.842 -3.520 1.00 0.00 H new ATOM 173 N THR A 11 -15.091 1.430 3.598 1.00 0.00 N ATOM 174 CA THR A 11 -15.357 1.432 5.068 1.00 0.00 C ATOM 175 C THR A 11 -14.041 1.543 5.844 1.00 0.00 C ATOM 176 O THR A 11 -13.998 2.090 6.930 1.00 0.00 O ATOM 177 CB THR A 11 -16.034 0.090 5.350 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.026 -0.154 4.363 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.685 0.127 6.733 1.00 0.00 C ATOM 0 H THR A 11 -14.579 0.618 3.253 1.00 0.00 H new ATOM 0 HA THR A 11 -15.978 2.274 5.374 1.00 0.00 H new ATOM 0 HB THR A 11 -15.290 -0.707 5.322 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.460 -1.015 4.541 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.167 -0.830 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.923 0.315 7.489 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.430 0.922 6.763 1.00 0.00 H new ATOM 187 N LEU A 12 -12.972 1.025 5.294 1.00 0.00 N ATOM 188 CA LEU A 12 -11.654 1.094 5.996 1.00 0.00 C ATOM 189 C LEU A 12 -10.772 2.176 5.365 1.00 0.00 C ATOM 190 O LEU A 12 -10.979 2.576 4.235 1.00 0.00 O ATOM 191 CB LEU A 12 -11.029 -0.288 5.801 1.00 0.00 C ATOM 192 CG LEU A 12 -11.851 -1.332 6.559 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.760 -2.677 5.837 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.301 -1.479 7.979 1.00 0.00 C ATOM 0 H LEU A 12 -12.955 0.557 4.388 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.761 1.349 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.995 -0.537 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.000 -0.288 6.162 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.892 -1.013 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.346 -3.420 6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.150 -2.574 4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.719 -2.997 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.886 -2.223 8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.260 -1.798 7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.365 -0.521 8.495 1.00 0.00 H new ATOM 206 N LYS A 13 -9.792 2.652 6.092 1.00 0.00 N ATOM 207 CA LYS A 13 -8.890 3.710 5.545 1.00 0.00 C ATOM 208 C LYS A 13 -7.672 3.888 6.458 1.00 0.00 C ATOM 209 O LYS A 13 -7.580 3.280 7.507 1.00 0.00 O ATOM 210 CB LYS A 13 -9.740 4.985 5.525 1.00 0.00 C ATOM 211 CG LYS A 13 -9.530 5.726 4.203 1.00 0.00 C ATOM 212 CD LYS A 13 -10.668 6.726 3.990 1.00 0.00 C ATOM 213 CE LYS A 13 -10.343 8.034 4.716 1.00 0.00 C ATOM 214 NZ LYS A 13 -11.666 8.670 4.971 1.00 0.00 N ATOM 0 H LYS A 13 -9.578 2.352 7.043 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.510 3.459 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.793 4.733 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.466 5.629 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.572 6.246 4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.497 5.015 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.806 6.914 2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.604 6.313 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.809 7.847 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.707 8.676 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.527 9.574 5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.149 8.842 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.247 8.039 5.558 1.00 0.00 H new ATOM 228 N GLY A 14 -6.739 4.721 6.064 1.00 0.00 N ATOM 229 CA GLY A 14 -5.527 4.946 6.904 1.00 0.00 C ATOM 230 C GLY A 14 -4.272 4.868 6.032 1.00 0.00 C ATOM 231 O GLY A 14 -4.351 4.795 4.820 1.00 0.00 O ATOM 0 H GLY A 14 -6.767 5.254 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.585 5.921 7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.478 4.199 7.696 1.00 0.00 H new ATOM 235 N GLU A 15 -3.116 4.883 6.645 1.00 0.00 N ATOM 236 CA GLU A 15 -1.843 4.810 5.864 1.00 0.00 C ATOM 237 C GLU A 15 -0.925 3.732 6.450 1.00 0.00 C ATOM 238 O GLU A 15 -1.124 3.278 7.562 1.00 0.00 O ATOM 239 CB GLU A 15 -1.209 6.201 5.997 1.00 0.00 C ATOM 240 CG GLU A 15 -0.959 6.527 7.474 1.00 0.00 C ATOM 241 CD GLU A 15 -0.355 7.927 7.595 1.00 0.00 C ATOM 242 OE1 GLU A 15 -1.116 8.880 7.613 1.00 0.00 O ATOM 243 OE2 GLU A 15 0.860 8.022 7.667 1.00 0.00 O ATOM 0 H GLU A 15 -2.998 4.943 7.656 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.012 4.545 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.270 6.235 5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.865 6.952 5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.894 6.474 8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.285 5.790 7.911 1.00 0.00 H new ATOM 250 N THR A 16 0.077 3.321 5.712 1.00 0.00 N ATOM 251 CA THR A 16 1.008 2.270 6.231 1.00 0.00 C ATOM 252 C THR A 16 2.359 2.337 5.511 1.00 0.00 C ATOM 253 O THR A 16 2.457 2.821 4.400 1.00 0.00 O ATOM 254 CB THR A 16 0.311 0.934 5.947 1.00 0.00 C ATOM 255 OG1 THR A 16 1.143 -0.131 6.385 1.00 0.00 O ATOM 256 CG2 THR A 16 0.044 0.787 4.446 1.00 0.00 C ATOM 0 H THR A 16 0.290 3.666 4.776 1.00 0.00 H new ATOM 0 HA THR A 16 1.215 2.403 7.293 1.00 0.00 H new ATOM 0 HB THR A 16 -0.639 0.906 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.700 -0.987 6.207 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.451 -0.165 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.596 1.602 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.989 0.819 3.904 1.00 0.00 H new ATOM 264 N THR A 17 3.397 1.846 6.142 1.00 0.00 N ATOM 265 CA THR A 17 4.749 1.869 5.506 1.00 0.00 C ATOM 266 C THR A 17 5.493 0.568 5.805 1.00 0.00 C ATOM 267 O THR A 17 5.192 -0.121 6.761 1.00 0.00 O ATOM 268 CB THR A 17 5.488 3.042 6.154 1.00 0.00 C ATOM 269 OG1 THR A 17 5.618 2.802 7.548 1.00 0.00 O ATOM 270 CG2 THR A 17 4.713 4.340 5.930 1.00 0.00 C ATOM 0 H THR A 17 3.365 1.429 7.072 1.00 0.00 H new ATOM 0 HA THR A 17 4.682 1.973 4.423 1.00 0.00 H new ATOM 0 HB THR A 17 6.475 3.137 5.702 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.092 3.551 7.966 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.248 5.168 6.395 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.616 4.526 4.860 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.722 4.253 6.374 1.00 0.00 H new ATOM 278 N THR A 18 6.468 0.235 4.999 1.00 0.00 N ATOM 279 CA THR A 18 7.241 -1.008 5.233 1.00 0.00 C ATOM 280 C THR A 18 8.715 -0.765 4.850 1.00 0.00 C ATOM 281 O THR A 18 9.030 0.142 4.103 1.00 0.00 O ATOM 282 CB THR A 18 6.533 -2.067 4.344 1.00 0.00 C ATOM 283 OG1 THR A 18 5.795 -2.946 5.180 1.00 0.00 O ATOM 284 CG2 THR A 18 7.535 -2.887 3.530 1.00 0.00 C ATOM 0 H THR A 18 6.759 0.778 4.186 1.00 0.00 H new ATOM 0 HA THR A 18 7.264 -1.341 6.271 1.00 0.00 H new ATOM 0 HB THR A 18 5.878 -1.543 3.648 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.748 -3.832 4.763 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.000 -3.616 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.107 -2.223 2.881 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.214 -3.407 4.206 1.00 0.00 H new ATOM 292 N GLU A 19 9.604 -1.585 5.347 1.00 0.00 N ATOM 293 CA GLU A 19 11.049 -1.430 5.009 1.00 0.00 C ATOM 294 C GLU A 19 11.526 -2.670 4.251 1.00 0.00 C ATOM 295 O GLU A 19 11.484 -3.772 4.767 1.00 0.00 O ATOM 296 CB GLU A 19 11.765 -1.309 6.354 1.00 0.00 C ATOM 297 CG GLU A 19 13.134 -0.660 6.141 1.00 0.00 C ATOM 298 CD GLU A 19 14.130 -1.226 7.155 1.00 0.00 C ATOM 299 OE1 GLU A 19 14.597 -2.333 6.944 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.408 -0.542 8.127 1.00 0.00 O ATOM 0 H GLU A 19 9.389 -2.359 5.976 1.00 0.00 H new ATOM 0 HA GLU A 19 11.244 -0.564 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.169 -0.711 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.883 -2.294 6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.484 -0.850 5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.057 0.421 6.255 1.00 0.00 H new ATOM 307 N ALA A 20 11.962 -2.503 3.028 1.00 0.00 N ATOM 308 CA ALA A 20 12.423 -3.679 2.231 1.00 0.00 C ATOM 309 C ALA A 20 13.412 -3.249 1.146 1.00 0.00 C ATOM 310 O ALA A 20 13.692 -2.079 0.972 1.00 0.00 O ATOM 311 CB ALA A 20 11.149 -4.235 1.597 1.00 0.00 C ATOM 0 H ALA A 20 12.018 -1.605 2.548 1.00 0.00 H new ATOM 0 HA ALA A 20 12.941 -4.414 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.395 -5.106 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.449 -4.525 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.693 -3.471 0.967 1.00 0.00 H new ATOM 317 N VAL A 21 13.940 -4.199 0.415 1.00 0.00 N ATOM 318 CA VAL A 21 14.916 -3.869 -0.670 1.00 0.00 C ATOM 319 C VAL A 21 14.268 -2.956 -1.711 1.00 0.00 C ATOM 320 O VAL A 21 14.900 -2.066 -2.250 1.00 0.00 O ATOM 321 CB VAL A 21 15.289 -5.218 -1.307 1.00 0.00 C ATOM 322 CG1 VAL A 21 14.044 -5.896 -1.897 1.00 0.00 C ATOM 323 CG2 VAL A 21 16.319 -4.993 -2.419 1.00 0.00 C ATOM 0 H VAL A 21 13.737 -5.193 0.523 1.00 0.00 H new ATOM 0 HA VAL A 21 15.789 -3.345 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 21 15.711 -5.863 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.326 -6.849 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.314 -6.068 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.607 -5.253 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.583 -5.950 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.895 -4.338 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.213 -4.531 -1.999 1.00 0.00 H new ATOM 333 N ASP A 22 13.020 -3.192 -2.011 1.00 0.00 N ATOM 334 CA ASP A 22 12.330 -2.367 -3.036 1.00 0.00 C ATOM 335 C ASP A 22 10.820 -2.376 -2.786 1.00 0.00 C ATOM 336 O ASP A 22 10.304 -3.243 -2.106 1.00 0.00 O ATOM 337 CB ASP A 22 12.668 -3.069 -4.348 1.00 0.00 C ATOM 338 CG ASP A 22 12.057 -2.295 -5.518 1.00 0.00 C ATOM 339 OD1 ASP A 22 12.394 -1.133 -5.675 1.00 0.00 O ATOM 340 OD2 ASP A 22 11.263 -2.878 -6.238 1.00 0.00 O ATOM 0 H ASP A 22 12.449 -3.923 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 22 12.638 -1.321 -3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.749 -3.135 -4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.285 -4.090 -4.335 1.00 0.00 H new ATOM 345 N ALA A 23 10.111 -1.419 -3.329 1.00 0.00 N ATOM 346 CA ALA A 23 8.631 -1.372 -3.121 1.00 0.00 C ATOM 347 C ALA A 23 7.978 -2.634 -3.686 1.00 0.00 C ATOM 348 O ALA A 23 6.935 -3.060 -3.225 1.00 0.00 O ATOM 349 CB ALA A 23 8.151 -0.132 -3.879 1.00 0.00 C ATOM 0 H ALA A 23 10.492 -0.669 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 23 8.369 -1.323 -2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.071 -0.034 -3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.638 0.754 -3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.401 -0.232 -4.935 1.00 0.00 H new ATOM 355 N ALA A 24 8.590 -3.245 -4.672 1.00 0.00 N ATOM 356 CA ALA A 24 8.010 -4.493 -5.258 1.00 0.00 C ATOM 357 C ALA A 24 7.895 -5.563 -4.170 1.00 0.00 C ATOM 358 O ALA A 24 6.865 -6.190 -4.009 1.00 0.00 O ATOM 359 CB ALA A 24 8.998 -4.931 -6.342 1.00 0.00 C ATOM 0 H ALA A 24 9.464 -2.934 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 24 7.013 -4.336 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.637 -5.843 -6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.089 -4.144 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.973 -5.118 -5.892 1.00 0.00 H new ATOM 365 N THR A 25 8.946 -5.760 -3.415 1.00 0.00 N ATOM 366 CA THR A 25 8.909 -6.776 -2.320 1.00 0.00 C ATOM 367 C THR A 25 7.952 -6.311 -1.215 1.00 0.00 C ATOM 368 O THR A 25 7.097 -7.059 -0.765 1.00 0.00 O ATOM 369 CB THR A 25 10.357 -6.863 -1.803 1.00 0.00 C ATOM 370 OG1 THR A 25 11.168 -7.487 -2.788 1.00 0.00 O ATOM 371 CG2 THR A 25 10.417 -7.681 -0.504 1.00 0.00 C ATOM 0 H THR A 25 9.830 -5.260 -3.510 1.00 0.00 H new ATOM 0 HA THR A 25 8.551 -7.748 -2.659 1.00 0.00 H new ATOM 0 HB THR A 25 10.720 -5.855 -1.601 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.049 -7.688 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.448 -7.732 -0.153 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.798 -7.203 0.256 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.047 -8.689 -0.691 1.00 0.00 H new ATOM 379 N ALA A 26 8.091 -5.085 -0.769 1.00 0.00 N ATOM 380 CA ALA A 26 7.195 -4.583 0.314 1.00 0.00 C ATOM 381 C ALA A 26 5.739 -4.654 -0.138 1.00 0.00 C ATOM 382 O ALA A 26 4.922 -5.292 0.488 1.00 0.00 O ATOM 383 CB ALA A 26 7.600 -3.125 0.555 1.00 0.00 C ATOM 0 H ALA A 26 8.783 -4.416 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 26 7.289 -5.180 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.977 -2.699 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.646 -3.083 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.466 -2.554 -0.363 1.00 0.00 H new ATOM 389 N GLU A 27 5.419 -3.993 -1.226 1.00 0.00 N ATOM 390 CA GLU A 27 4.010 -3.982 -1.750 1.00 0.00 C ATOM 391 C GLU A 27 3.346 -5.367 -1.667 1.00 0.00 C ATOM 392 O GLU A 27 2.162 -5.472 -1.407 1.00 0.00 O ATOM 393 CB GLU A 27 4.136 -3.532 -3.207 1.00 0.00 C ATOM 394 CG GLU A 27 2.744 -3.374 -3.823 1.00 0.00 C ATOM 395 CD GLU A 27 2.845 -3.474 -5.346 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.544 -4.356 -5.817 1.00 0.00 O ATOM 397 OE2 GLU A 27 2.221 -2.668 -6.016 1.00 0.00 O ATOM 0 H GLU A 27 6.082 -3.453 -1.782 1.00 0.00 H new ATOM 0 HA GLU A 27 3.377 -3.321 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.676 -2.587 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.714 -4.262 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.076 -4.146 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.316 -2.413 -3.539 1.00 0.00 H new ATOM 404 N LYS A 28 4.101 -6.425 -1.851 1.00 0.00 N ATOM 405 CA LYS A 28 3.500 -7.792 -1.742 1.00 0.00 C ATOM 406 C LYS A 28 3.019 -7.990 -0.305 1.00 0.00 C ATOM 407 O LYS A 28 1.915 -8.438 -0.061 1.00 0.00 O ATOM 408 CB LYS A 28 4.629 -8.771 -2.070 1.00 0.00 C ATOM 409 CG LYS A 28 5.119 -8.537 -3.500 1.00 0.00 C ATOM 410 CD LYS A 28 6.568 -9.013 -3.624 1.00 0.00 C ATOM 411 CE LYS A 28 6.590 -10.463 -4.111 1.00 0.00 C ATOM 412 NZ LYS A 28 7.928 -10.636 -4.742 1.00 0.00 N ATOM 0 H LYS A 28 5.097 -6.402 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 28 2.653 -7.939 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.452 -8.639 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.277 -9.797 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.486 -9.075 -4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.049 -7.479 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.113 -8.376 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.071 -8.934 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.450 -11.159 -3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.789 -10.652 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.019 -11.608 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.030 -9.965 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.670 -10.457 -4.036 1.00 0.00 H new ATOM 426 N VAL A 29 3.839 -7.618 0.644 1.00 0.00 N ATOM 427 CA VAL A 29 3.438 -7.734 2.078 1.00 0.00 C ATOM 428 C VAL A 29 2.307 -6.738 2.348 1.00 0.00 C ATOM 429 O VAL A 29 1.398 -7.012 3.108 1.00 0.00 O ATOM 430 CB VAL A 29 4.709 -7.376 2.877 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.367 -7.038 4.338 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.670 -8.566 2.850 1.00 0.00 C ATOM 0 H VAL A 29 4.772 -7.238 0.487 1.00 0.00 H new ATOM 0 HA VAL A 29 3.074 -8.724 2.352 1.00 0.00 H new ATOM 0 HB VAL A 29 5.171 -6.502 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.281 -6.790 4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.687 -6.187 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.890 -7.898 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.570 -8.319 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.187 -9.434 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.938 -8.794 1.818 1.00 0.00 H new ATOM 442 N LEU A 30 2.365 -5.580 1.741 1.00 0.00 N ATOM 443 CA LEU A 30 1.294 -4.573 1.976 1.00 0.00 C ATOM 444 C LEU A 30 -0.011 -5.119 1.405 1.00 0.00 C ATOM 445 O LEU A 30 -1.074 -4.904 1.946 1.00 0.00 O ATOM 446 CB LEU A 30 1.753 -3.302 1.238 1.00 0.00 C ATOM 447 CG LEU A 30 2.856 -2.525 2.014 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.231 -1.577 3.032 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.823 -3.450 2.758 1.00 0.00 C ATOM 0 H LEU A 30 3.103 -5.292 1.098 1.00 0.00 H new ATOM 0 HA LEU A 30 1.125 -4.355 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.131 -3.575 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.895 -2.648 1.081 1.00 0.00 H new ATOM 0 HG LEU A 30 3.416 -1.971 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.019 -1.043 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.591 -0.860 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.636 -2.149 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.570 -2.852 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.269 -4.050 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.320 -4.107 2.044 1.00 0.00 H new ATOM 461 N LYS A 31 0.077 -5.873 0.337 1.00 0.00 N ATOM 462 CA LYS A 31 -1.149 -6.494 -0.251 1.00 0.00 C ATOM 463 C LYS A 31 -1.739 -7.443 0.782 1.00 0.00 C ATOM 464 O LYS A 31 -2.930 -7.468 1.026 1.00 0.00 O ATOM 465 CB LYS A 31 -0.656 -7.297 -1.456 1.00 0.00 C ATOM 466 CG LYS A 31 -1.786 -7.440 -2.483 1.00 0.00 C ATOM 467 CD LYS A 31 -2.798 -8.494 -2.007 1.00 0.00 C ATOM 468 CE LYS A 31 -2.091 -9.840 -1.793 1.00 0.00 C ATOM 469 NZ LYS A 31 -2.860 -10.823 -2.608 1.00 0.00 N ATOM 0 H LYS A 31 0.946 -6.085 -0.153 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.904 -5.761 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.200 -6.799 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.318 -8.282 -1.134 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.285 -6.481 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.375 -7.729 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.266 -8.168 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.594 -8.605 -2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.050 -9.793 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.088 -10.120 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.603 -11.789 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.879 -10.676 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.635 -10.691 -3.615 1.00 0.00 H new ATOM 483 N GLN A 32 -0.887 -8.214 1.408 1.00 0.00 N ATOM 484 CA GLN A 32 -1.354 -9.166 2.459 1.00 0.00 C ATOM 485 C GLN A 32 -2.102 -8.390 3.549 1.00 0.00 C ATOM 486 O GLN A 32 -3.113 -8.832 4.060 1.00 0.00 O ATOM 487 CB GLN A 32 -0.088 -9.800 3.020 1.00 0.00 C ATOM 488 CG GLN A 32 0.268 -11.044 2.203 1.00 0.00 C ATOM 489 CD GLN A 32 1.504 -11.714 2.806 1.00 0.00 C ATOM 490 OE1 GLN A 32 1.433 -12.309 3.863 1.00 0.00 O ATOM 491 NE2 GLN A 32 2.644 -11.641 2.174 1.00 0.00 N ATOM 0 H GLN A 32 0.118 -8.224 1.235 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.036 -9.922 2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.734 -9.085 2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.237 -10.069 4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.570 -11.741 2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.460 -10.768 1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.704 -11.142 1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.475 -12.083 2.568 1.00 0.00 H new ATOM 500 N TYR A 33 -1.621 -7.215 3.878 1.00 0.00 N ATOM 501 CA TYR A 33 -2.315 -6.377 4.901 1.00 0.00 C ATOM 502 C TYR A 33 -3.685 -5.972 4.345 1.00 0.00 C ATOM 503 O TYR A 33 -4.672 -5.926 5.053 1.00 0.00 O ATOM 504 CB TYR A 33 -1.412 -5.152 5.096 1.00 0.00 C ATOM 505 CG TYR A 33 -2.081 -4.176 6.024 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.020 -4.383 7.400 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.773 -3.077 5.505 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.649 -3.493 8.268 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.403 -2.181 6.373 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.342 -2.388 7.757 1.00 0.00 C ATOM 511 OH TYR A 33 -3.965 -1.505 8.616 1.00 0.00 O ATOM 0 H TYR A 33 -0.777 -6.802 3.481 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.479 -6.892 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.450 -5.458 5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.213 -4.678 4.135 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.485 -5.234 7.794 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.820 -2.921 4.437 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.602 -3.655 9.335 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.937 -1.330 5.977 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.398 -0.795 8.098 1.00 0.00 H new ATOM 521 N ILE A 34 -3.737 -5.691 3.069 1.00 0.00 N ATOM 522 CA ILE A 34 -5.028 -5.299 2.427 1.00 0.00 C ATOM 523 C ILE A 34 -5.962 -6.514 2.387 1.00 0.00 C ATOM 524 O ILE A 34 -7.170 -6.383 2.454 1.00 0.00 O ATOM 525 CB ILE A 34 -4.643 -4.854 1.009 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.674 -3.648 1.098 1.00 0.00 C ATOM 527 CG2 ILE A 34 -5.905 -4.501 0.201 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.426 -2.339 1.368 1.00 0.00 C ATOM 0 H ILE A 34 -2.935 -5.716 2.439 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.551 -4.508 2.965 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.137 -5.669 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.948 -3.822 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.114 -3.561 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.618 -4.187 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.552 -5.376 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.439 -3.690 0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.714 -1.515 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.134 -2.153 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.965 -2.417 2.312 1.00 0.00 H new ATOM 540 N ASN A 35 -5.403 -7.695 2.284 1.00 0.00 N ATOM 541 CA ASN A 35 -6.246 -8.929 2.246 1.00 0.00 C ATOM 542 C ASN A 35 -6.984 -9.106 3.575 1.00 0.00 C ATOM 543 O ASN A 35 -8.060 -9.672 3.625 1.00 0.00 O ATOM 544 CB ASN A 35 -5.271 -10.081 2.020 1.00 0.00 C ATOM 545 CG ASN A 35 -5.049 -10.278 0.520 1.00 0.00 C ATOM 546 OD1 ASN A 35 -4.965 -9.321 -0.224 1.00 0.00 O ATOM 547 ND2 ASN A 35 -4.952 -11.488 0.041 1.00 0.00 N ATOM 0 H ASN A 35 -4.398 -7.857 2.225 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.003 -8.882 1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.322 -9.870 2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.664 -10.996 2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.806 -11.631 -0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.023 -12.291 0.666 1.00 0.00 H new ATOM 554 N ASP A 36 -6.413 -8.622 4.649 1.00 0.00 N ATOM 555 CA ASP A 36 -7.078 -8.755 5.981 1.00 0.00 C ATOM 556 C ASP A 36 -8.244 -7.769 6.088 1.00 0.00 C ATOM 557 O ASP A 36 -9.259 -8.060 6.692 1.00 0.00 O ATOM 558 CB ASP A 36 -5.995 -8.418 7.008 1.00 0.00 C ATOM 559 CG ASP A 36 -6.242 -9.215 8.290 1.00 0.00 C ATOM 560 OD1 ASP A 36 -7.252 -8.971 8.930 1.00 0.00 O ATOM 561 OD2 ASP A 36 -5.418 -10.055 8.609 1.00 0.00 O ATOM 0 H ASP A 36 -5.514 -8.140 4.661 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.487 -9.753 6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.010 -8.654 6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.003 -7.350 7.224 1.00 0.00 H new ATOM 566 N ASN A 37 -8.103 -6.606 5.503 1.00 0.00 N ATOM 567 CA ASN A 37 -9.199 -5.594 5.562 1.00 0.00 C ATOM 568 C ASN A 37 -10.227 -5.868 4.461 1.00 0.00 C ATOM 569 O ASN A 37 -11.411 -5.647 4.637 1.00 0.00 O ATOM 570 CB ASN A 37 -8.511 -4.248 5.329 1.00 0.00 C ATOM 571 CG ASN A 37 -7.618 -3.917 6.526 1.00 0.00 C ATOM 572 OD1 ASN A 37 -7.887 -4.336 7.634 1.00 0.00 O ATOM 573 ND2 ASN A 37 -6.558 -3.176 6.349 1.00 0.00 N ATOM 0 H ASN A 37 -7.274 -6.314 4.986 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.733 -5.618 6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.915 -4.285 4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.257 -3.465 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.956 -2.949 7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.331 -2.824 5.419 1.00 0.00 H new ATOM 580 N GLY A 38 -9.779 -6.350 3.330 1.00 0.00 N ATOM 581 CA GLY A 38 -10.720 -6.645 2.209 1.00 0.00 C ATOM 582 C GLY A 38 -10.874 -5.405 1.327 1.00 0.00 C ATOM 583 O GLY A 38 -11.916 -5.179 0.740 1.00 0.00 O ATOM 0 H GLY A 38 -8.799 -6.552 3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.346 -7.480 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.690 -6.945 2.605 1.00 0.00 H new ATOM 587 N ILE A 39 -9.845 -4.603 1.229 1.00 0.00 N ATOM 588 CA ILE A 39 -9.925 -3.373 0.383 1.00 0.00 C ATOM 589 C ILE A 39 -8.986 -3.500 -0.822 1.00 0.00 C ATOM 590 O ILE A 39 -7.953 -2.861 -0.885 1.00 0.00 O ATOM 591 CB ILE A 39 -9.484 -2.224 1.299 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.410 -2.142 2.526 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.537 -0.899 0.531 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.864 -1.925 2.085 1.00 0.00 C ATOM 0 H ILE A 39 -8.951 -4.747 1.699 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.927 -3.208 -0.013 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.463 -2.411 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.333 -3.059 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.094 -1.325 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.223 -0.086 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.870 -0.950 -0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.556 -0.717 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.506 -1.869 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.938 -0.995 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.181 -2.757 1.456 1.00 0.00 H new ATOM 606 N ASP A 40 -9.345 -4.320 -1.777 1.00 0.00 N ATOM 607 CA ASP A 40 -8.485 -4.494 -2.987 1.00 0.00 C ATOM 608 C ASP A 40 -9.226 -3.999 -4.233 1.00 0.00 C ATOM 609 O ASP A 40 -10.217 -4.572 -4.644 1.00 0.00 O ATOM 610 CB ASP A 40 -8.211 -6.001 -3.078 1.00 0.00 C ATOM 611 CG ASP A 40 -9.533 -6.773 -3.164 1.00 0.00 C ATOM 612 OD1 ASP A 40 -10.199 -6.883 -2.148 1.00 0.00 O ATOM 613 OD2 ASP A 40 -9.854 -7.239 -4.245 1.00 0.00 O ATOM 0 H ASP A 40 -10.199 -4.878 -1.771 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.559 -3.923 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.598 -6.215 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.646 -6.329 -2.206 1.00 0.00 H new ATOM 618 N GLY A 41 -8.754 -2.933 -4.830 1.00 0.00 N ATOM 619 CA GLY A 41 -9.431 -2.391 -6.045 1.00 0.00 C ATOM 620 C GLY A 41 -8.386 -1.864 -7.030 1.00 0.00 C ATOM 621 O GLY A 41 -7.998 -2.548 -7.959 1.00 0.00 O ATOM 0 H GLY A 41 -7.929 -2.415 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.029 -3.171 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.116 -1.591 -5.764 1.00 0.00 H new ATOM 625 N GLU A 42 -7.935 -0.649 -6.840 1.00 0.00 N ATOM 626 CA GLU A 42 -6.920 -0.069 -7.771 1.00 0.00 C ATOM 627 C GLU A 42 -5.803 0.626 -6.987 1.00 0.00 C ATOM 628 O GLU A 42 -6.046 1.548 -6.232 1.00 0.00 O ATOM 629 CB GLU A 42 -7.693 0.953 -8.618 1.00 0.00 C ATOM 630 CG GLU A 42 -7.801 0.460 -10.067 1.00 0.00 C ATOM 631 CD GLU A 42 -9.199 -0.112 -10.317 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.652 -0.895 -9.499 1.00 0.00 O ATOM 633 OE2 GLU A 42 -9.791 0.244 -11.322 1.00 0.00 O ATOM 0 H GLU A 42 -8.226 -0.034 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.445 -0.836 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.689 1.104 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.187 1.918 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.606 1.282 -10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.046 -0.303 -10.259 1.00 0.00 H new ATOM 640 N TRP A 43 -4.581 0.194 -7.173 1.00 0.00 N ATOM 641 CA TRP A 43 -3.441 0.833 -6.452 1.00 0.00 C ATOM 642 C TRP A 43 -2.749 1.835 -7.378 1.00 0.00 C ATOM 643 O TRP A 43 -2.916 1.796 -8.583 1.00 0.00 O ATOM 644 CB TRP A 43 -2.459 -0.296 -6.124 1.00 0.00 C ATOM 645 CG TRP A 43 -2.990 -1.212 -5.065 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.289 -1.534 -4.844 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.221 -1.943 -4.076 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.352 -2.436 -3.800 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.104 -2.710 -3.287 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.850 -2.012 -3.798 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.641 -3.519 -2.255 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.379 -2.823 -2.755 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.271 -3.574 -1.985 1.00 0.00 C ATOM 0 H TRP A 43 -4.325 -0.574 -7.793 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.779 1.355 -5.557 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.251 -0.869 -7.028 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.513 0.132 -5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.135 -1.148 -5.394 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.217 -2.849 -3.452 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.152 -1.438 -4.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.335 -4.101 -1.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.680 -2.867 -2.546 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.902 -4.196 -1.183 1.00 0.00 H new ATOM 664 N THR A 44 -1.951 2.710 -6.827 1.00 0.00 N ATOM 665 CA THR A 44 -1.214 3.698 -7.670 1.00 0.00 C ATOM 666 C THR A 44 0.113 4.044 -7.000 1.00 0.00 C ATOM 667 O THR A 44 0.161 4.351 -5.823 1.00 0.00 O ATOM 668 CB THR A 44 -2.107 4.938 -7.767 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.290 5.495 -6.475 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.465 4.560 -8.363 1.00 0.00 C ATOM 0 H THR A 44 -1.777 2.784 -5.825 1.00 0.00 H new ATOM 0 HA THR A 44 -0.995 3.302 -8.662 1.00 0.00 H new ATOM 0 HB THR A 44 -1.628 5.673 -8.414 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.416 6.464 -6.551 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.094 5.448 -8.428 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.321 4.143 -9.360 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.948 3.819 -7.726 1.00 0.00 H new ATOM 678 N TYR A 45 1.186 3.989 -7.739 1.00 0.00 N ATOM 679 CA TYR A 45 2.520 4.306 -7.152 1.00 0.00 C ATOM 680 C TYR A 45 2.906 5.752 -7.484 1.00 0.00 C ATOM 681 O TYR A 45 2.385 6.338 -8.415 1.00 0.00 O ATOM 682 CB TYR A 45 3.489 3.330 -7.822 1.00 0.00 C ATOM 683 CG TYR A 45 4.874 3.510 -7.247 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.075 3.440 -5.862 1.00 0.00 C ATOM 685 CD2 TYR A 45 5.959 3.746 -8.099 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.359 3.606 -5.332 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.243 3.912 -7.569 1.00 0.00 C ATOM 688 CZ TYR A 45 7.444 3.842 -6.185 1.00 0.00 C ATOM 689 OH TYR A 45 8.710 4.007 -5.662 1.00 0.00 O ATOM 0 H TYR A 45 1.197 3.737 -8.727 1.00 0.00 H new ATOM 0 HA TYR A 45 2.530 4.210 -6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.152 2.305 -7.668 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.507 3.502 -8.898 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.239 3.258 -5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.805 3.800 -9.167 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.513 3.552 -4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.079 4.094 -8.227 1.00 0.00 H new ATOM 0 HH TYR A 45 9.347 4.161 -6.390 1.00 0.00 H new ATOM 699 N ASP A 46 3.818 6.328 -6.740 1.00 0.00 N ATOM 700 CA ASP A 46 4.241 7.735 -7.028 1.00 0.00 C ATOM 701 C ASP A 46 5.724 7.916 -6.700 1.00 0.00 C ATOM 702 O ASP A 46 6.133 7.814 -5.557 1.00 0.00 O ATOM 703 CB ASP A 46 3.389 8.638 -6.123 1.00 0.00 C ATOM 704 CG ASP A 46 1.901 8.317 -6.301 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.371 8.624 -7.357 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.318 7.771 -5.379 1.00 0.00 O ATOM 0 H ASP A 46 4.287 5.887 -5.948 1.00 0.00 H new ATOM 0 HA ASP A 46 4.101 7.982 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.677 8.496 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.574 9.685 -6.365 1.00 0.00 H new ATOM 711 N ASP A 47 6.527 8.198 -7.695 1.00 0.00 N ATOM 712 CA ASP A 47 7.988 8.405 -7.449 1.00 0.00 C ATOM 713 C ASP A 47 8.211 9.637 -6.559 1.00 0.00 C ATOM 714 O ASP A 47 9.279 9.825 -6.009 1.00 0.00 O ATOM 715 CB ASP A 47 8.602 8.626 -8.833 1.00 0.00 C ATOM 716 CG ASP A 47 10.102 8.328 -8.780 1.00 0.00 C ATOM 717 OD1 ASP A 47 10.809 9.067 -8.115 1.00 0.00 O ATOM 718 OD2 ASP A 47 10.517 7.367 -9.406 1.00 0.00 O ATOM 0 H ASP A 47 6.234 8.294 -8.667 1.00 0.00 H new ATOM 0 HA ASP A 47 8.440 7.557 -6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.118 7.979 -9.565 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.436 9.654 -9.156 1.00 0.00 H new ATOM 723 N ALA A 48 7.209 10.478 -6.412 1.00 0.00 N ATOM 724 CA ALA A 48 7.351 11.704 -5.558 1.00 0.00 C ATOM 725 C ALA A 48 7.924 11.350 -4.179 1.00 0.00 C ATOM 726 O ALA A 48 9.009 11.765 -3.821 1.00 0.00 O ATOM 727 CB ALA A 48 5.925 12.240 -5.409 1.00 0.00 C ATOM 0 H ALA A 48 6.295 10.366 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 48 8.031 12.430 -6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.937 13.141 -4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.521 12.477 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.300 11.485 -4.932 1.00 0.00 H new ATOM 733 N THR A 49 7.194 10.585 -3.413 1.00 0.00 N ATOM 734 CA THR A 49 7.674 10.190 -2.054 1.00 0.00 C ATOM 735 C THR A 49 7.452 8.691 -1.840 1.00 0.00 C ATOM 736 O THR A 49 6.987 8.273 -0.799 1.00 0.00 O ATOM 737 CB THR A 49 6.824 11.009 -1.074 1.00 0.00 C ATOM 738 OG1 THR A 49 7.175 10.658 0.257 1.00 0.00 O ATOM 739 CG2 THR A 49 5.335 10.723 -1.303 1.00 0.00 C ATOM 0 H THR A 49 6.280 10.214 -3.671 1.00 0.00 H new ATOM 0 HA THR A 49 8.739 10.379 -1.918 1.00 0.00 H new ATOM 0 HB THR A 49 7.010 12.070 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.149 9.683 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.740 11.309 -0.603 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.065 10.994 -2.324 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.140 9.662 -1.146 1.00 0.00 H new ATOM 747 N LYS A 50 7.777 7.894 -2.838 1.00 0.00 N ATOM 748 CA LYS A 50 7.604 6.398 -2.766 1.00 0.00 C ATOM 749 C LYS A 50 6.314 5.990 -2.035 1.00 0.00 C ATOM 750 O LYS A 50 6.322 5.118 -1.187 1.00 0.00 O ATOM 751 CB LYS A 50 8.851 5.867 -2.040 1.00 0.00 C ATOM 752 CG LYS A 50 8.900 6.382 -0.599 1.00 0.00 C ATOM 753 CD LYS A 50 9.898 5.547 0.208 1.00 0.00 C ATOM 754 CE LYS A 50 11.309 6.133 0.057 1.00 0.00 C ATOM 755 NZ LYS A 50 11.700 6.562 1.430 1.00 0.00 N ATOM 0 H LYS A 50 8.164 8.226 -3.721 1.00 0.00 H new ATOM 0 HA LYS A 50 7.507 5.974 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.842 4.777 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.749 6.179 -2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.194 7.432 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.910 6.323 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.610 5.535 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.885 4.513 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.004 5.391 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.314 6.975 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.655 6.973 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.025 7.273 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.693 5.739 2.066 1.00 0.00 H new ATOM 769 N THR A 51 5.211 6.614 -2.366 1.00 0.00 N ATOM 770 CA THR A 51 3.920 6.265 -1.700 1.00 0.00 C ATOM 771 C THR A 51 3.095 5.342 -2.601 1.00 0.00 C ATOM 772 O THR A 51 3.389 5.171 -3.769 1.00 0.00 O ATOM 773 CB THR A 51 3.201 7.602 -1.486 1.00 0.00 C ATOM 774 OG1 THR A 51 3.993 8.429 -0.646 1.00 0.00 O ATOM 775 CG2 THR A 51 1.839 7.363 -0.825 1.00 0.00 C ATOM 0 H THR A 51 5.150 7.350 -3.069 1.00 0.00 H new ATOM 0 HA THR A 51 4.071 5.736 -0.759 1.00 0.00 H new ATOM 0 HB THR A 51 3.050 8.088 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.431 9.127 -0.250 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.334 8.318 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.230 6.727 -1.467 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.983 6.875 0.139 1.00 0.00 H new ATOM 783 N TRP A 52 2.068 4.743 -2.057 1.00 0.00 N ATOM 784 CA TRP A 52 1.215 3.822 -2.860 1.00 0.00 C ATOM 785 C TRP A 52 -0.268 4.137 -2.634 1.00 0.00 C ATOM 786 O TRP A 52 -0.614 5.131 -2.024 1.00 0.00 O ATOM 787 CB TRP A 52 1.529 2.434 -2.318 1.00 0.00 C ATOM 788 CG TRP A 52 2.800 1.917 -2.902 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.012 1.964 -2.308 1.00 0.00 C ATOM 790 CD2 TRP A 52 2.993 1.256 -4.176 1.00 0.00 C ATOM 791 NE1 TRP A 52 4.944 1.381 -3.152 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.359 0.928 -4.319 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.115 0.920 -5.211 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.839 0.282 -5.459 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.587 0.269 -6.362 1.00 0.00 C ATOM 796 CH2 TRP A 52 3.948 -0.049 -6.487 1.00 0.00 C ATOM 0 H TRP A 52 1.783 4.854 -1.084 1.00 0.00 H new ATOM 0 HA TRP A 52 1.409 3.912 -3.929 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.611 2.472 -1.232 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.711 1.753 -2.553 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.220 2.386 -1.336 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.938 1.297 -2.938 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.066 1.163 -5.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.888 0.040 -5.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.900 0.012 -7.154 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.308 -0.548 -7.375 1.00 0.00 H new ATOM 807 N THR A 53 -1.143 3.284 -3.111 1.00 0.00 N ATOM 808 CA THR A 53 -2.608 3.513 -2.917 1.00 0.00 C ATOM 809 C THR A 53 -3.376 2.198 -3.095 1.00 0.00 C ATOM 810 O THR A 53 -2.825 1.199 -3.517 1.00 0.00 O ATOM 811 CB THR A 53 -3.013 4.519 -3.998 1.00 0.00 C ATOM 812 OG1 THR A 53 -2.103 5.609 -4.001 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.424 5.036 -3.716 1.00 0.00 C ATOM 0 H THR A 53 -0.904 2.437 -3.627 1.00 0.00 H new ATOM 0 HA THR A 53 -2.833 3.885 -1.917 1.00 0.00 H new ATOM 0 HB THR A 53 -2.994 4.028 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.827 5.802 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.710 5.752 -4.487 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.125 4.201 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.445 5.524 -2.742 1.00 0.00 H new ATOM 821 N VAL A 54 -4.645 2.193 -2.767 1.00 0.00 N ATOM 822 CA VAL A 54 -5.463 0.943 -2.903 1.00 0.00 C ATOM 823 C VAL A 54 -6.950 1.268 -2.698 1.00 0.00 C ATOM 824 O VAL A 54 -7.537 0.927 -1.689 1.00 0.00 O ATOM 825 CB VAL A 54 -4.931 -0.017 -1.813 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.892 0.690 -0.462 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.831 -1.254 -1.693 1.00 0.00 C ATOM 0 H VAL A 54 -5.153 3.002 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.379 0.491 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.926 -0.326 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.516 0.004 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.235 1.558 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.897 1.014 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.439 -1.916 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.841 -0.944 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.853 -1.782 -2.646 1.00 0.00 H new ATOM 837 N THR A 55 -7.556 1.921 -3.656 1.00 0.00 N ATOM 838 CA THR A 55 -9.004 2.271 -3.535 1.00 0.00 C ATOM 839 C THR A 55 -9.872 1.059 -3.885 1.00 0.00 C ATOM 840 O THR A 55 -9.734 0.473 -4.942 1.00 0.00 O ATOM 841 CB THR A 55 -9.224 3.397 -4.547 1.00 0.00 C ATOM 842 OG1 THR A 55 -8.156 4.330 -4.453 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.548 4.103 -4.249 1.00 0.00 C ATOM 0 H THR A 55 -7.109 2.228 -4.520 1.00 0.00 H new ATOM 0 HA THR A 55 -9.273 2.573 -2.523 1.00 0.00 H new ATOM 0 HB THR A 55 -9.256 2.980 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.294 5.052 -5.102 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.703 4.905 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.366 3.387 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.519 4.521 -3.243 1.00 0.00 H new ATOM 851 N GLU A 56 -10.765 0.680 -3.004 1.00 0.00 N ATOM 852 CA GLU A 56 -11.648 -0.497 -3.282 1.00 0.00 C ATOM 853 C GLU A 56 -12.485 -0.248 -4.540 1.00 0.00 C ATOM 854 O GLU A 56 -12.585 0.899 -4.944 1.00 0.00 O ATOM 855 CB GLU A 56 -12.555 -0.623 -2.055 1.00 0.00 C ATOM 856 CG GLU A 56 -12.930 -2.091 -1.843 1.00 0.00 C ATOM 857 CD GLU A 56 -14.048 -2.478 -2.814 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.048 -1.779 -2.845 1.00 0.00 O ATOM 859 OE2 GLU A 56 -13.886 -3.467 -3.509 1.00 0.00 O ATOM 860 OXT GLU A 56 -13.012 -1.208 -5.077 1.00 0.00 O ATOM 0 H GLU A 56 -10.921 1.134 -2.104 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.072 -1.406 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.046 -0.236 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.455 -0.023 -2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.059 -2.727 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.256 -2.249 -0.815 1.00 0.00 H new TER 867 GLU A 56