USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 451 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 7 LYS NZ :NH3+ -140:sc= 0.137 (180deg=0) USER MOD Set 1.2: A 9 ASN : amide:sc= 0.316 K(o=0.45,f=-5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.21 (180deg=1.06) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.000933 USER MOD Single : A 28 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.17) USER MOD Single : A 30 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 1.11 (180deg=0.366) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.892 K(o=0.89,f=-0.39) USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.0611 USER MOD Single : A 54 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.02) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 167:sc= 1.23 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 61 GLN : amide:sc=-0.000614 K(o=-0.00061,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.567 0.554 2.962 1.00 0.00 N ATOM 2 CA MET A 1 -26.203 0.398 1.545 1.00 0.00 C ATOM 3 C MET A 1 -25.581 1.719 1.124 1.00 0.00 C ATOM 4 O MET A 1 -26.262 2.744 1.062 1.00 0.00 O ATOM 5 CB MET A 1 -27.368 -0.120 0.676 1.00 0.00 C ATOM 6 CG MET A 1 -28.294 0.920 0.034 1.00 0.00 C ATOM 7 SD MET A 1 -29.611 0.182 -0.969 1.00 0.00 S ATOM 8 CE MET A 1 -29.738 1.433 -2.276 1.00 0.00 C ATOM 0 H1 MET A 1 -26.793 -0.377 3.367 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.769 0.973 3.481 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.397 1.176 3.041 1.00 0.00 H new ATOM 0 HA MET A 1 -25.469 -0.393 1.393 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.946 -0.731 -0.122 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.980 -0.779 1.293 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.742 1.531 0.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.701 1.588 -0.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.509 1.138 -2.988 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.000 2.395 -1.835 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.781 1.519 -2.791 1.00 0.00 H new ATOM 18 N GLU A 2 -24.267 1.735 0.944 1.00 0.00 N ATOM 19 CA GLU A 2 -23.520 2.916 0.593 1.00 0.00 C ATOM 20 C GLU A 2 -22.222 2.506 -0.093 1.00 0.00 C ATOM 21 O GLU A 2 -21.583 1.506 0.257 1.00 0.00 O ATOM 22 CB GLU A 2 -23.261 3.756 1.868 1.00 0.00 C ATOM 23 CG GLU A 2 -22.433 3.118 3.007 1.00 0.00 C ATOM 24 CD GLU A 2 -22.979 1.796 3.578 1.00 0.00 C ATOM 25 OE1 GLU A 2 -24.183 1.690 3.908 1.00 0.00 O ATOM 26 OE2 GLU A 2 -22.197 0.816 3.667 1.00 0.00 O ATOM 0 H GLU A 2 -23.685 0.903 1.042 1.00 0.00 H new ATOM 0 HA GLU A 2 -24.086 3.534 -0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.758 4.675 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -24.228 4.043 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -21.422 2.942 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -22.356 3.838 3.821 1.00 0.00 H new ATOM 33 N GLU A 3 -21.871 3.289 -1.096 1.00 0.00 N ATOM 34 CA GLU A 3 -20.694 3.192 -1.934 1.00 0.00 C ATOM 35 C GLU A 3 -19.743 4.255 -1.384 1.00 0.00 C ATOM 36 O GLU A 3 -20.165 5.388 -1.123 1.00 0.00 O ATOM 37 CB GLU A 3 -21.006 3.469 -3.420 1.00 0.00 C ATOM 38 CG GLU A 3 -22.279 2.818 -3.991 1.00 0.00 C ATOM 39 CD GLU A 3 -23.576 3.442 -3.449 1.00 0.00 C ATOM 40 OE1 GLU A 3 -23.642 4.678 -3.245 1.00 0.00 O ATOM 41 OE2 GLU A 3 -24.532 2.707 -3.140 1.00 0.00 O ATOM 0 H GLU A 3 -22.456 4.079 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.275 2.186 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -21.085 4.548 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.156 3.134 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -22.268 2.906 -5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -22.271 1.753 -3.757 1.00 0.00 H new ATOM 48 N VAL A 4 -18.473 3.911 -1.215 1.00 0.00 N ATOM 49 CA VAL A 4 -17.422 4.778 -0.688 1.00 0.00 C ATOM 50 C VAL A 4 -16.214 4.734 -1.627 1.00 0.00 C ATOM 51 O VAL A 4 -16.247 4.006 -2.627 1.00 0.00 O ATOM 52 CB VAL A 4 -17.076 4.355 0.760 1.00 0.00 C ATOM 53 CG1 VAL A 4 -18.294 4.444 1.695 1.00 0.00 C ATOM 54 CG2 VAL A 4 -16.508 2.931 0.859 1.00 0.00 C ATOM 0 H VAL A 4 -18.130 2.980 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.761 5.813 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.309 5.063 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.004 4.138 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.660 5.471 1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.083 3.787 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.287 2.699 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -17.240 2.220 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -15.593 2.862 0.270 1.00 0.00 H new ATOM 64 N THR A 5 -15.195 5.546 -1.352 1.00 0.00 N ATOM 65 CA THR A 5 -13.964 5.601 -2.124 1.00 0.00 C ATOM 66 C THR A 5 -12.816 5.476 -1.128 1.00 0.00 C ATOM 67 O THR A 5 -12.642 6.357 -0.282 1.00 0.00 O ATOM 68 CB THR A 5 -13.814 6.902 -2.938 1.00 0.00 C ATOM 69 OG1 THR A 5 -15.044 7.528 -3.264 1.00 0.00 O ATOM 70 CG2 THR A 5 -13.001 6.632 -4.207 1.00 0.00 C ATOM 0 H THR A 5 -15.207 6.197 -0.567 1.00 0.00 H new ATOM 0 HA THR A 5 -13.968 4.793 -2.856 1.00 0.00 H new ATOM 0 HB THR A 5 -13.287 7.605 -2.293 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.870 8.345 -3.777 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.899 7.555 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.012 6.263 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.512 5.885 -4.814 1.00 0.00 H new ATOM 78 N ILE A 6 -12.099 4.355 -1.144 1.00 0.00 N ATOM 79 CA ILE A 6 -10.961 4.153 -0.260 1.00 0.00 C ATOM 80 C ILE A 6 -9.749 4.525 -1.106 1.00 0.00 C ATOM 81 O ILE A 6 -9.505 3.912 -2.151 1.00 0.00 O ATOM 82 CB ILE A 6 -10.918 2.733 0.337 1.00 0.00 C ATOM 83 CG1 ILE A 6 -12.163 2.544 1.240 1.00 0.00 C ATOM 84 CG2 ILE A 6 -9.607 2.529 1.117 1.00 0.00 C ATOM 85 CD1 ILE A 6 -12.169 1.277 2.102 1.00 0.00 C ATOM 0 H ILE A 6 -12.290 3.569 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 6 -11.008 4.774 0.634 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.941 1.982 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.248 3.409 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.051 2.536 0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.585 1.523 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.759 2.661 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.547 3.259 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.084 1.244 2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.121 0.399 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.306 1.286 2.768 1.00 0.00 H new ATOM 97 N LYS A 7 -9.012 5.554 -0.688 1.00 0.00 N ATOM 98 CA LYS A 7 -7.835 6.015 -1.402 1.00 0.00 C ATOM 99 C LYS A 7 -6.666 5.253 -0.808 1.00 0.00 C ATOM 100 O LYS A 7 -6.303 5.446 0.354 1.00 0.00 O ATOM 101 CB LYS A 7 -7.655 7.531 -1.280 1.00 0.00 C ATOM 102 CG LYS A 7 -6.680 7.982 -2.379 1.00 0.00 C ATOM 103 CD LYS A 7 -6.080 9.358 -2.120 1.00 0.00 C ATOM 104 CE LYS A 7 -5.008 9.252 -1.035 1.00 0.00 C ATOM 105 NZ LYS A 7 -4.145 10.443 -0.997 1.00 0.00 N ATOM 0 H LYS A 7 -9.219 6.088 0.156 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.921 5.826 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.613 8.039 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.266 7.791 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.875 7.252 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.202 7.994 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.646 9.755 -3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.860 10.053 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.486 9.119 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.397 8.367 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.160 10.153 -0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.212 10.949 -1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.453 11.070 -0.226 1.00 0.00 H new ATOM 119 N ALA A 8 -6.140 4.321 -1.585 1.00 0.00 N ATOM 120 CA ALA A 8 -5.036 3.477 -1.209 1.00 0.00 C ATOM 121 C ALA A 8 -3.735 4.068 -1.742 1.00 0.00 C ATOM 122 O ALA A 8 -3.510 4.162 -2.949 1.00 0.00 O ATOM 123 CB ALA A 8 -5.315 2.080 -1.751 1.00 0.00 C ATOM 0 H ALA A 8 -6.487 4.131 -2.525 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.927 3.413 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.494 1.415 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.244 1.702 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.407 2.122 -2.836 1.00 0.00 H new ATOM 129 N ASN A 9 -2.902 4.534 -0.825 1.00 0.00 N ATOM 130 CA ASN A 9 -1.597 5.116 -1.079 1.00 0.00 C ATOM 131 C ASN A 9 -0.633 3.937 -1.099 1.00 0.00 C ATOM 132 O ASN A 9 -0.694 3.073 -0.216 1.00 0.00 O ATOM 133 CB ASN A 9 -1.207 6.102 0.024 1.00 0.00 C ATOM 134 CG ASN A 9 -2.186 7.261 0.152 1.00 0.00 C ATOM 135 OD1 ASN A 9 -2.070 8.268 -0.542 1.00 0.00 O ATOM 136 ND2 ASN A 9 -3.178 7.141 1.016 1.00 0.00 N ATOM 0 H ASN A 9 -3.132 4.515 0.169 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.585 5.678 -2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.151 5.573 0.975 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.211 6.495 -0.181 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.862 7.891 1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.260 6.298 1.585 1.00 0.00 H new ATOM 143 N LEU A 10 0.219 3.863 -2.113 1.00 0.00 N ATOM 144 CA LEU A 10 1.200 2.807 -2.310 1.00 0.00 C ATOM 145 C LEU A 10 2.566 3.475 -2.375 1.00 0.00 C ATOM 146 O LEU A 10 2.762 4.418 -3.149 1.00 0.00 O ATOM 147 CB LEU A 10 0.891 2.052 -3.617 1.00 0.00 C ATOM 148 CG LEU A 10 -0.434 1.262 -3.582 1.00 0.00 C ATOM 149 CD1 LEU A 10 -1.005 1.112 -4.997 1.00 0.00 C ATOM 150 CD2 LEU A 10 -0.243 -0.128 -2.968 1.00 0.00 C ATOM 0 H LEU A 10 0.245 4.567 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 10 1.176 2.081 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.855 2.767 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.708 1.363 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.131 1.825 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.939 0.552 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.192 2.099 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.290 0.578 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.196 -0.656 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.478 -0.691 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.125 -0.027 -1.947 1.00 0.00 H new ATOM 162 N ILE A 11 3.498 3.017 -1.551 1.00 0.00 N ATOM 163 CA ILE A 11 4.862 3.511 -1.471 1.00 0.00 C ATOM 164 C ILE A 11 5.709 2.269 -1.703 1.00 0.00 C ATOM 165 O ILE A 11 5.531 1.273 -0.999 1.00 0.00 O ATOM 166 CB ILE A 11 5.172 4.158 -0.103 1.00 0.00 C ATOM 167 CG1 ILE A 11 4.175 5.234 0.377 1.00 0.00 C ATOM 168 CG2 ILE A 11 6.571 4.803 -0.169 1.00 0.00 C ATOM 169 CD1 ILE A 11 2.881 4.718 1.025 1.00 0.00 C ATOM 0 H ILE A 11 3.315 2.259 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 11 5.056 4.301 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 11 5.101 3.344 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.684 5.878 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.906 5.857 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.805 5.265 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.314 4.038 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.585 5.563 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.260 5.564 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.337 4.101 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.127 4.122 1.904 1.00 0.00 H new ATOM 181 N PHE A 12 6.524 2.270 -2.752 1.00 0.00 N ATOM 182 CA PHE A 12 7.376 1.133 -3.053 1.00 0.00 C ATOM 183 C PHE A 12 8.712 1.305 -2.350 1.00 0.00 C ATOM 184 O PHE A 12 9.165 2.430 -2.139 1.00 0.00 O ATOM 185 CB PHE A 12 7.555 1.003 -4.566 1.00 0.00 C ATOM 186 CG PHE A 12 6.269 0.695 -5.310 1.00 0.00 C ATOM 187 CD1 PHE A 12 5.451 -0.373 -4.890 1.00 0.00 C ATOM 188 CD2 PHE A 12 5.894 1.452 -6.436 1.00 0.00 C ATOM 189 CE1 PHE A 12 4.284 -0.692 -5.598 1.00 0.00 C ATOM 190 CE2 PHE A 12 4.728 1.132 -7.149 1.00 0.00 C ATOM 191 CZ PHE A 12 3.932 0.052 -6.736 1.00 0.00 C ATOM 0 H PHE A 12 6.610 3.047 -3.407 1.00 0.00 H new ATOM 0 HA PHE A 12 6.912 0.215 -2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.975 1.931 -4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.280 0.215 -4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.725 -0.949 -4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.506 2.283 -6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.657 -1.508 -5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.444 1.715 -8.013 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.046 -0.208 -7.296 1.00 0.00 H new ATOM 201 N ALA A 13 9.394 0.190 -2.076 1.00 0.00 N ATOM 202 CA ALA A 13 10.692 0.210 -1.408 1.00 0.00 C ATOM 203 C ALA A 13 11.742 0.961 -2.238 1.00 0.00 C ATOM 204 O ALA A 13 12.724 1.455 -1.684 1.00 0.00 O ATOM 205 CB ALA A 13 11.128 -1.210 -1.065 1.00 0.00 C ATOM 0 H ALA A 13 9.062 -0.746 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 13 10.594 0.761 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.097 -1.183 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.393 -1.666 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.206 -1.798 -1.980 1.00 0.00 H new ATOM 211 N ASN A 14 11.544 1.084 -3.559 1.00 0.00 N ATOM 212 CA ASN A 14 12.454 1.823 -4.438 1.00 0.00 C ATOM 213 C ASN A 14 12.292 3.345 -4.205 1.00 0.00 C ATOM 214 O ASN A 14 12.970 4.168 -4.821 1.00 0.00 O ATOM 215 CB ASN A 14 12.200 1.440 -5.905 1.00 0.00 C ATOM 216 CG ASN A 14 13.399 1.794 -6.771 1.00 0.00 C ATOM 217 OD1 ASN A 14 13.394 2.793 -7.486 1.00 0.00 O ATOM 218 ND2 ASN A 14 14.439 0.982 -6.740 1.00 0.00 N ATOM 0 H ASN A 14 10.747 0.673 -4.045 1.00 0.00 H new ATOM 0 HA ASN A 14 13.485 1.557 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.997 0.372 -5.977 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.314 1.958 -6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.257 1.179 -7.316 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.424 0.157 -6.140 1.00 0.00 H new ATOM 225 N GLY A 15 11.354 3.735 -3.334 1.00 0.00 N ATOM 226 CA GLY A 15 11.021 5.086 -2.931 1.00 0.00 C ATOM 227 C GLY A 15 9.919 5.744 -3.755 1.00 0.00 C ATOM 228 O GLY A 15 9.447 6.819 -3.366 1.00 0.00 O ATOM 0 H GLY A 15 10.766 3.049 -2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.715 5.074 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.919 5.701 -2.993 1.00 0.00 H new ATOM 232 N SER A 16 9.521 5.134 -4.870 1.00 0.00 N ATOM 233 CA SER A 16 8.493 5.642 -5.766 1.00 0.00 C ATOM 234 C SER A 16 7.125 5.681 -5.079 1.00 0.00 C ATOM 235 O SER A 16 6.828 4.840 -4.223 1.00 0.00 O ATOM 236 CB SER A 16 8.457 4.764 -7.022 1.00 0.00 C ATOM 237 OG SER A 16 9.771 4.436 -7.452 1.00 0.00 O ATOM 0 H SER A 16 9.918 4.247 -5.181 1.00 0.00 H new ATOM 0 HA SER A 16 8.734 6.667 -6.046 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.899 3.850 -6.816 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.929 5.286 -7.820 1.00 0.00 H new ATOM 0 HG SER A 16 9.722 3.874 -8.253 1.00 0.00 H new ATOM 243 N THR A 17 6.270 6.613 -5.503 1.00 0.00 N ATOM 244 CA THR A 17 4.935 6.805 -4.952 1.00 0.00 C ATOM 245 C THR A 17 3.866 6.557 -6.020 1.00 0.00 C ATOM 246 O THR A 17 4.044 6.906 -7.194 1.00 0.00 O ATOM 247 CB THR A 17 4.869 8.199 -4.296 1.00 0.00 C ATOM 248 OG1 THR A 17 5.448 9.229 -5.089 1.00 0.00 O ATOM 249 CG2 THR A 17 5.635 8.178 -2.973 1.00 0.00 C ATOM 0 H THR A 17 6.494 7.266 -6.254 1.00 0.00 H new ATOM 0 HA THR A 17 4.725 6.073 -4.172 1.00 0.00 H new ATOM 0 HB THR A 17 3.809 8.415 -4.165 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.372 10.085 -4.619 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.588 9.164 -2.510 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.188 7.442 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.676 7.914 -3.159 1.00 0.00 H new ATOM 257 N GLN A 18 2.738 5.965 -5.624 1.00 0.00 N ATOM 258 CA GLN A 18 1.600 5.624 -6.470 1.00 0.00 C ATOM 259 C GLN A 18 0.310 5.676 -5.649 1.00 0.00 C ATOM 260 O GLN A 18 0.328 5.397 -4.451 1.00 0.00 O ATOM 261 CB GLN A 18 1.832 4.230 -7.090 1.00 0.00 C ATOM 262 CG GLN A 18 0.652 3.742 -7.946 1.00 0.00 C ATOM 263 CD GLN A 18 1.013 2.533 -8.799 1.00 0.00 C ATOM 264 OE1 GLN A 18 1.074 2.620 -10.021 1.00 0.00 O ATOM 265 NE2 GLN A 18 1.239 1.373 -8.203 1.00 0.00 N ATOM 0 H GLN A 18 2.589 5.697 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 18 1.501 6.345 -7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.731 4.259 -7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.015 3.511 -6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.184 3.487 -7.295 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.317 4.552 -8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.188 1.303 -7.187 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.465 0.549 -8.760 1.00 0.00 H new ATOM 274 N THR A 19 -0.806 6.063 -6.263 1.00 0.00 N ATOM 275 CA THR A 19 -2.105 6.134 -5.602 1.00 0.00 C ATOM 276 C THR A 19 -3.144 5.357 -6.416 1.00 0.00 C ATOM 277 O THR A 19 -3.086 5.323 -7.650 1.00 0.00 O ATOM 278 CB THR A 19 -2.559 7.578 -5.324 1.00 0.00 C ATOM 279 OG1 THR A 19 -1.487 8.474 -5.065 1.00 0.00 O ATOM 280 CG2 THR A 19 -3.491 7.602 -4.111 1.00 0.00 C ATOM 0 H THR A 19 -0.833 6.339 -7.245 1.00 0.00 H new ATOM 0 HA THR A 19 -2.004 5.668 -4.622 1.00 0.00 H new ATOM 0 HB THR A 19 -3.062 7.912 -6.232 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.844 9.372 -4.899 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.810 8.626 -3.918 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.364 6.981 -4.311 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.963 7.216 -3.239 1.00 0.00 H new ATOM 288 N ALA A 20 -4.013 4.640 -5.706 1.00 0.00 N ATOM 289 CA ALA A 20 -5.112 3.838 -6.206 1.00 0.00 C ATOM 290 C ALA A 20 -6.380 4.301 -5.481 1.00 0.00 C ATOM 291 O ALA A 20 -6.306 4.821 -4.364 1.00 0.00 O ATOM 292 CB ALA A 20 -4.823 2.358 -5.941 1.00 0.00 C ATOM 0 H ALA A 20 -3.957 4.607 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.242 3.959 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.648 1.753 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.902 2.070 -6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.712 2.195 -4.869 1.00 0.00 H new ATOM 298 N GLU A 21 -7.548 4.113 -6.091 1.00 0.00 N ATOM 299 CA GLU A 21 -8.837 4.489 -5.526 1.00 0.00 C ATOM 300 C GLU A 21 -9.786 3.331 -5.775 1.00 0.00 C ATOM 301 O GLU A 21 -10.139 3.047 -6.918 1.00 0.00 O ATOM 302 CB GLU A 21 -9.371 5.799 -6.131 1.00 0.00 C ATOM 303 CG GLU A 21 -8.766 7.007 -5.408 1.00 0.00 C ATOM 304 CD GLU A 21 -9.321 8.335 -5.917 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.535 8.600 -5.744 1.00 0.00 O ATOM 306 OE2 GLU A 21 -8.544 9.156 -6.452 1.00 0.00 O ATOM 0 H GLU A 21 -7.624 3.685 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.738 4.681 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.127 5.843 -7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.458 5.827 -6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.962 6.921 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.684 6.997 -5.535 1.00 0.00 H new ATOM 313 N PHE A 22 -10.150 2.633 -4.705 1.00 0.00 N ATOM 314 CA PHE A 22 -11.051 1.500 -4.764 1.00 0.00 C ATOM 315 C PHE A 22 -12.442 1.991 -4.404 1.00 0.00 C ATOM 316 O PHE A 22 -12.626 2.690 -3.405 1.00 0.00 O ATOM 317 CB PHE A 22 -10.552 0.389 -3.842 1.00 0.00 C ATOM 318 CG PHE A 22 -9.181 -0.109 -4.252 1.00 0.00 C ATOM 319 CD1 PHE A 22 -9.038 -0.850 -5.440 1.00 0.00 C ATOM 320 CD2 PHE A 22 -8.044 0.214 -3.490 1.00 0.00 C ATOM 321 CE1 PHE A 22 -7.772 -1.295 -5.850 1.00 0.00 C ATOM 322 CE2 PHE A 22 -6.775 -0.222 -3.911 1.00 0.00 C ATOM 323 CZ PHE A 22 -6.638 -0.972 -5.089 1.00 0.00 C ATOM 0 H PHE A 22 -9.821 2.845 -3.763 1.00 0.00 H new ATOM 0 HA PHE A 22 -11.088 1.071 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -10.513 0.757 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.259 -0.440 -3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.907 -1.077 -6.039 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.145 0.795 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.671 -1.885 -6.749 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.901 0.022 -3.325 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.660 -1.300 -5.410 1.00 0.00 H new ATOM 333 N GLN A 23 -13.403 1.643 -5.248 1.00 0.00 N ATOM 334 CA GLN A 23 -14.803 1.996 -5.127 1.00 0.00 C ATOM 335 C GLN A 23 -15.603 0.739 -4.805 1.00 0.00 C ATOM 336 O GLN A 23 -15.220 -0.362 -5.209 1.00 0.00 O ATOM 337 CB GLN A 23 -15.289 2.593 -6.458 1.00 0.00 C ATOM 338 CG GLN A 23 -14.482 3.828 -6.870 1.00 0.00 C ATOM 339 CD GLN A 23 -15.001 4.481 -8.146 1.00 0.00 C ATOM 340 OE1 GLN A 23 -15.055 3.865 -9.210 1.00 0.00 O ATOM 341 NE2 GLN A 23 -15.342 5.753 -8.089 1.00 0.00 N ATOM 0 H GLN A 23 -13.214 1.078 -6.076 1.00 0.00 H new ATOM 0 HA GLN A 23 -14.938 2.729 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.217 1.837 -7.240 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.342 2.862 -6.370 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.505 4.557 -6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.440 3.543 -7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -15.294 6.255 -7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -15.654 6.236 -8.932 1.00 0.00 H new ATOM 350 N GLY A 24 -16.743 0.927 -4.149 1.00 0.00 N ATOM 351 CA GLY A 24 -17.652 -0.134 -3.761 1.00 0.00 C ATOM 352 C GLY A 24 -17.968 -0.016 -2.285 1.00 0.00 C ATOM 353 O GLY A 24 -17.997 1.102 -1.763 1.00 0.00 O ATOM 0 H GLY A 24 -17.066 1.852 -3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.570 -0.073 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.204 -1.105 -3.971 1.00 0.00 H new ATOM 357 N THR A 25 -18.360 -1.118 -1.639 1.00 0.00 N ATOM 358 CA THR A 25 -18.646 -1.059 -0.212 1.00 0.00 C ATOM 359 C THR A 25 -17.306 -0.873 0.514 1.00 0.00 C ATOM 360 O THR A 25 -16.237 -1.153 -0.038 1.00 0.00 O ATOM 361 CB THR A 25 -19.443 -2.290 0.270 1.00 0.00 C ATOM 362 OG1 THR A 25 -18.728 -3.491 0.085 1.00 0.00 O ATOM 363 CG2 THR A 25 -20.769 -2.426 -0.486 1.00 0.00 C ATOM 0 H THR A 25 -18.483 -2.034 -2.070 1.00 0.00 H new ATOM 0 HA THR A 25 -19.297 -0.215 0.017 1.00 0.00 H new ATOM 0 HB THR A 25 -19.622 -2.128 1.333 1.00 0.00 H new ATOM 0 HG1 THR A 25 -19.267 -4.245 0.404 1.00 0.00 H new ATOM 0 HG21 THR A 25 -21.306 -3.302 -0.123 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.375 -1.535 -0.321 1.00 0.00 H new ATOM 0 HG23 THR A 25 -20.570 -2.538 -1.552 1.00 0.00 H new ATOM 371 N PHE A 26 -17.349 -0.423 1.763 1.00 0.00 N ATOM 372 CA PHE A 26 -16.167 -0.191 2.577 1.00 0.00 C ATOM 373 C PHE A 26 -15.324 -1.464 2.675 1.00 0.00 C ATOM 374 O PHE A 26 -14.126 -1.444 2.398 1.00 0.00 O ATOM 375 CB PHE A 26 -16.645 0.322 3.937 1.00 0.00 C ATOM 376 CG PHE A 26 -15.548 0.686 4.908 1.00 0.00 C ATOM 377 CD1 PHE A 26 -14.939 1.954 4.841 1.00 0.00 C ATOM 378 CD2 PHE A 26 -15.199 -0.207 5.939 1.00 0.00 C ATOM 379 CE1 PHE A 26 -13.999 2.335 5.813 1.00 0.00 C ATOM 380 CE2 PHE A 26 -14.262 0.181 6.910 1.00 0.00 C ATOM 381 CZ PHE A 26 -13.668 1.451 6.854 1.00 0.00 C ATOM 0 H PHE A 26 -18.222 -0.206 2.244 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.512 0.557 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.272 1.199 3.777 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.275 -0.441 4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.195 2.634 4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.650 -1.187 5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.531 3.307 5.760 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.997 -0.501 7.704 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.957 1.749 7.610 1.00 0.00 H new ATOM 391 N GLU A 27 -15.951 -2.586 3.027 1.00 0.00 N ATOM 392 CA GLU A 27 -15.294 -3.882 3.162 1.00 0.00 C ATOM 393 C GLU A 27 -14.654 -4.304 1.834 1.00 0.00 C ATOM 394 O GLU A 27 -13.478 -4.672 1.811 1.00 0.00 O ATOM 395 CB GLU A 27 -16.325 -4.918 3.620 1.00 0.00 C ATOM 396 CG GLU A 27 -16.840 -4.641 5.041 1.00 0.00 C ATOM 397 CD GLU A 27 -18.017 -5.541 5.436 1.00 0.00 C ATOM 398 OE1 GLU A 27 -18.877 -5.813 4.561 1.00 0.00 O ATOM 399 OE2 GLU A 27 -18.144 -5.894 6.636 1.00 0.00 O ATOM 0 H GLU A 27 -16.950 -2.618 3.230 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.499 -3.811 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.165 -4.922 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.878 -5.912 3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.026 -4.784 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.147 -3.598 5.114 1.00 0.00 H new ATOM 406 N GLN A 28 -15.415 -4.216 0.737 1.00 0.00 N ATOM 407 CA GLN A 28 -14.981 -4.568 -0.609 1.00 0.00 C ATOM 408 C GLN A 28 -13.715 -3.796 -0.968 1.00 0.00 C ATOM 409 O GLN A 28 -12.698 -4.405 -1.301 1.00 0.00 O ATOM 410 CB GLN A 28 -16.122 -4.245 -1.585 1.00 0.00 C ATOM 411 CG GLN A 28 -15.846 -4.557 -3.062 1.00 0.00 C ATOM 412 CD GLN A 28 -16.962 -3.994 -3.943 1.00 0.00 C ATOM 413 OE1 GLN A 28 -18.147 -4.040 -3.595 1.00 0.00 O ATOM 414 NE2 GLN A 28 -16.624 -3.401 -5.073 1.00 0.00 N ATOM 0 H GLN A 28 -16.380 -3.887 0.769 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.747 -5.631 -0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -17.008 -4.800 -1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.362 -3.186 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.889 -4.128 -3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.770 -5.635 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.645 -3.365 -5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.342 -2.979 -5.662 1.00 0.00 H new ATOM 423 N ALA A 29 -13.790 -2.464 -0.902 1.00 0.00 N ATOM 424 CA ALA A 29 -12.698 -1.562 -1.216 1.00 0.00 C ATOM 425 C ALA A 29 -11.486 -1.816 -0.308 1.00 0.00 C ATOM 426 O ALA A 29 -10.350 -1.659 -0.758 1.00 0.00 O ATOM 427 CB ALA A 29 -13.219 -0.122 -1.146 1.00 0.00 C ATOM 0 H ALA A 29 -14.641 -1.977 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.338 -1.743 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.410 0.570 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.027 0.008 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.592 0.082 -0.142 1.00 0.00 H new ATOM 433 N THR A 30 -11.694 -2.222 0.950 1.00 0.00 N ATOM 434 CA THR A 30 -10.582 -2.509 1.850 1.00 0.00 C ATOM 435 C THR A 30 -9.869 -3.770 1.333 1.00 0.00 C ATOM 436 O THR A 30 -8.643 -3.794 1.218 1.00 0.00 O ATOM 437 CB THR A 30 -11.062 -2.714 3.301 1.00 0.00 C ATOM 438 OG1 THR A 30 -11.891 -1.674 3.784 1.00 0.00 O ATOM 439 CG2 THR A 30 -9.863 -2.770 4.251 1.00 0.00 C ATOM 0 H THR A 30 -12.617 -2.357 1.362 1.00 0.00 H new ATOM 0 HA THR A 30 -9.898 -1.661 1.863 1.00 0.00 H new ATOM 0 HB THR A 30 -11.631 -3.644 3.278 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.783 -1.754 3.385 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.215 -2.915 5.272 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.214 -3.599 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.305 -1.836 4.188 1.00 0.00 H new ATOM 447 N SER A 31 -10.633 -4.823 1.013 1.00 0.00 N ATOM 448 CA SER A 31 -10.084 -6.077 0.517 1.00 0.00 C ATOM 449 C SER A 31 -9.339 -5.846 -0.804 1.00 0.00 C ATOM 450 O SER A 31 -8.284 -6.444 -1.014 1.00 0.00 O ATOM 451 CB SER A 31 -11.228 -7.091 0.392 1.00 0.00 C ATOM 452 OG SER A 31 -10.746 -8.410 0.227 1.00 0.00 O ATOM 0 H SER A 31 -11.650 -4.822 1.093 1.00 0.00 H new ATOM 0 HA SER A 31 -9.348 -6.482 1.212 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.856 -7.042 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.858 -6.825 -0.457 1.00 0.00 H new ATOM 0 HG SER A 31 -11.503 -9.028 0.152 1.00 0.00 H new ATOM 458 N GLU A 32 -9.824 -4.934 -1.656 1.00 0.00 N ATOM 459 CA GLU A 32 -9.187 -4.621 -2.931 1.00 0.00 C ATOM 460 C GLU A 32 -7.786 -4.060 -2.696 1.00 0.00 C ATOM 461 O GLU A 32 -6.856 -4.432 -3.404 1.00 0.00 O ATOM 462 CB GLU A 32 -9.989 -3.597 -3.720 1.00 0.00 C ATOM 463 CG GLU A 32 -11.247 -4.182 -4.347 1.00 0.00 C ATOM 464 CD GLU A 32 -11.004 -5.095 -5.544 1.00 0.00 C ATOM 465 OE1 GLU A 32 -10.231 -4.735 -6.460 1.00 0.00 O ATOM 466 OE2 GLU A 32 -11.707 -6.126 -5.626 1.00 0.00 O ATOM 0 H GLU A 32 -10.671 -4.394 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.135 -5.548 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.267 -2.775 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.360 -3.177 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.788 -4.743 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.894 -3.363 -4.659 1.00 0.00 H new ATOM 473 N ALA A 33 -7.618 -3.191 -1.693 1.00 0.00 N ATOM 474 CA ALA A 33 -6.324 -2.602 -1.387 1.00 0.00 C ATOM 475 C ALA A 33 -5.299 -3.688 -1.046 1.00 0.00 C ATOM 476 O ALA A 33 -4.163 -3.630 -1.527 1.00 0.00 O ATOM 477 CB ALA A 33 -6.473 -1.563 -0.272 1.00 0.00 C ATOM 0 H ALA A 33 -8.372 -2.883 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.946 -2.084 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.499 -1.127 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.157 -0.778 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.869 -2.044 0.623 1.00 0.00 H new ATOM 483 N TYR A 34 -5.677 -4.680 -0.232 1.00 0.00 N ATOM 484 CA TYR A 34 -4.761 -5.760 0.128 1.00 0.00 C ATOM 485 C TYR A 34 -4.562 -6.723 -1.051 1.00 0.00 C ATOM 486 O TYR A 34 -3.460 -7.251 -1.216 1.00 0.00 O ATOM 487 CB TYR A 34 -5.291 -6.522 1.351 1.00 0.00 C ATOM 488 CG TYR A 34 -5.555 -5.681 2.593 1.00 0.00 C ATOM 489 CD1 TYR A 34 -4.556 -4.848 3.132 1.00 0.00 C ATOM 490 CD2 TYR A 34 -6.801 -5.763 3.240 1.00 0.00 C ATOM 491 CE1 TYR A 34 -4.802 -4.104 4.302 1.00 0.00 C ATOM 492 CE2 TYR A 34 -7.047 -5.026 4.410 1.00 0.00 C ATOM 493 CZ TYR A 34 -6.057 -4.178 4.945 1.00 0.00 C ATOM 494 OH TYR A 34 -6.322 -3.410 6.042 1.00 0.00 O ATOM 0 H TYR A 34 -6.605 -4.755 0.186 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.796 -5.320 0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.218 -7.022 1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.574 -7.301 1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.595 -4.779 2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.575 -6.398 2.834 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.026 -3.473 4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.004 -5.110 4.904 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.234 -3.589 6.354 1.00 0.00 H new ATOM 504 N ALA A 35 -5.581 -6.903 -1.902 1.00 0.00 N ATOM 505 CA ALA A 35 -5.544 -7.771 -3.075 1.00 0.00 C ATOM 506 C ALA A 35 -4.546 -7.206 -4.087 1.00 0.00 C ATOM 507 O ALA A 35 -3.645 -7.908 -4.552 1.00 0.00 O ATOM 508 CB ALA A 35 -6.950 -7.887 -3.691 1.00 0.00 C ATOM 0 H ALA A 35 -6.478 -6.432 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.222 -8.771 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.912 -8.537 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.636 -8.308 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.300 -6.898 -3.989 1.00 0.00 H new ATOM 514 N TYR A 36 -4.689 -5.922 -4.407 1.00 0.00 N ATOM 515 CA TYR A 36 -3.846 -5.195 -5.337 1.00 0.00 C ATOM 516 C TYR A 36 -2.412 -5.181 -4.814 1.00 0.00 C ATOM 517 O TYR A 36 -1.479 -5.489 -5.551 1.00 0.00 O ATOM 518 CB TYR A 36 -4.413 -3.781 -5.497 1.00 0.00 C ATOM 519 CG TYR A 36 -3.826 -3.000 -6.652 1.00 0.00 C ATOM 520 CD1 TYR A 36 -4.370 -3.169 -7.938 1.00 0.00 C ATOM 521 CD2 TYR A 36 -2.769 -2.091 -6.448 1.00 0.00 C ATOM 522 CE1 TYR A 36 -3.869 -2.429 -9.018 1.00 0.00 C ATOM 523 CE2 TYR A 36 -2.263 -1.345 -7.529 1.00 0.00 C ATOM 524 CZ TYR A 36 -2.814 -1.512 -8.818 1.00 0.00 C ATOM 525 OH TYR A 36 -2.338 -0.782 -9.863 1.00 0.00 O ATOM 0 H TYR A 36 -5.426 -5.342 -4.007 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.833 -5.675 -6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.493 -3.848 -5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.240 -3.227 -4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.176 -3.871 -8.094 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.347 -1.967 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.290 -2.560 -10.004 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.455 -0.646 -7.373 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.614 -0.199 -9.552 1.00 0.00 H new ATOM 535 N ALA A 37 -2.211 -4.863 -3.529 1.00 0.00 N ATOM 536 CA ALA A 37 -0.871 -4.840 -2.957 1.00 0.00 C ATOM 537 C ALA A 37 -0.211 -6.222 -3.030 1.00 0.00 C ATOM 538 O ALA A 37 1.009 -6.308 -3.172 1.00 0.00 O ATOM 539 CB ALA A 37 -0.929 -4.333 -1.517 1.00 0.00 C ATOM 0 H ALA A 37 -2.956 -4.621 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.256 -4.157 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.076 -4.318 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.343 -3.325 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.561 -4.994 -0.924 1.00 0.00 H new ATOM 545 N ASP A 38 -0.995 -7.303 -2.973 1.00 0.00 N ATOM 546 CA ASP A 38 -0.470 -8.663 -3.033 1.00 0.00 C ATOM 547 C ASP A 38 0.202 -8.967 -4.367 1.00 0.00 C ATOM 548 O ASP A 38 1.229 -9.640 -4.385 1.00 0.00 O ATOM 549 CB ASP A 38 -1.581 -9.700 -2.823 1.00 0.00 C ATOM 550 CG ASP A 38 -0.988 -10.956 -2.204 1.00 0.00 C ATOM 551 OD1 ASP A 38 -0.361 -10.833 -1.129 1.00 0.00 O ATOM 552 OD2 ASP A 38 -1.188 -12.069 -2.730 1.00 0.00 O ATOM 0 H ASP A 38 -2.010 -7.256 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 38 0.268 -8.728 -2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.356 -9.292 -2.174 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.055 -9.939 -3.775 1.00 0.00 H new ATOM 557 N THR A 39 -0.333 -8.435 -5.473 1.00 0.00 N ATOM 558 CA THR A 39 0.224 -8.671 -6.802 1.00 0.00 C ATOM 559 C THR A 39 1.594 -8.001 -6.958 1.00 0.00 C ATOM 560 O THR A 39 2.406 -8.423 -7.782 1.00 0.00 O ATOM 561 CB THR A 39 -0.808 -8.242 -7.879 1.00 0.00 C ATOM 562 OG1 THR A 39 -0.824 -9.141 -8.968 1.00 0.00 O ATOM 563 CG2 THR A 39 -0.665 -6.852 -8.508 1.00 0.00 C ATOM 0 H THR A 39 -1.157 -7.834 -5.468 1.00 0.00 H new ATOM 0 HA THR A 39 0.410 -9.736 -6.941 1.00 0.00 H new ATOM 0 HB THR A 39 -1.721 -8.235 -7.283 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.485 -8.844 -9.628 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.458 -6.701 -9.240 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.739 -6.092 -7.731 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.304 -6.774 -9.001 1.00 0.00 H new ATOM 571 N LEU A 40 1.875 -6.973 -6.155 1.00 0.00 N ATOM 572 CA LEU A 40 3.122 -6.219 -6.199 1.00 0.00 C ATOM 573 C LEU A 40 4.129 -6.721 -5.173 1.00 0.00 C ATOM 574 O LEU A 40 5.311 -6.392 -5.269 1.00 0.00 O ATOM 575 CB LEU A 40 2.798 -4.728 -5.990 1.00 0.00 C ATOM 576 CG LEU A 40 1.763 -4.201 -7.007 1.00 0.00 C ATOM 577 CD1 LEU A 40 1.309 -2.783 -6.666 1.00 0.00 C ATOM 578 CD2 LEU A 40 2.345 -4.254 -8.422 1.00 0.00 C ATOM 0 H LEU A 40 1.227 -6.637 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 40 3.591 -6.360 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.418 -4.580 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.715 -4.145 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 40 0.885 -4.845 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.581 -2.447 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.852 -2.775 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.169 -2.114 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.608 -3.880 -9.133 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.241 -3.636 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.601 -5.284 -8.672 1.00 0.00 H new ATOM 590 N LYS A 41 3.693 -7.553 -4.228 1.00 0.00 N ATOM 591 CA LYS A 41 4.470 -8.138 -3.154 1.00 0.00 C ATOM 592 C LYS A 41 5.625 -9.011 -3.640 1.00 0.00 C ATOM 593 O LYS A 41 6.425 -9.442 -2.818 1.00 0.00 O ATOM 594 CB LYS A 41 3.479 -8.903 -2.261 1.00 0.00 C ATOM 595 CG LYS A 41 3.842 -8.851 -0.778 1.00 0.00 C ATOM 596 CD LYS A 41 2.739 -9.404 0.127 1.00 0.00 C ATOM 597 CE LYS A 41 2.762 -10.923 0.282 1.00 0.00 C ATOM 598 NZ LYS A 41 2.242 -11.670 -0.878 1.00 0.00 N ATOM 0 H LYS A 41 2.718 -7.852 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 41 4.971 -7.352 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.481 -8.488 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.439 -9.944 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.758 -9.419 -0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.052 -7.819 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.830 -8.948 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.771 -9.105 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.788 -11.240 0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.178 -11.193 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.008 -12.641 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.387 -11.201 -1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.964 -11.696 -1.626 1.00 0.00 H new ATOM 612 N GLN A 42 5.708 -9.307 -4.940 1.00 0.00 N ATOM 613 CA GLN A 42 6.785 -10.110 -5.479 1.00 0.00 C ATOM 614 C GLN A 42 8.020 -9.220 -5.611 1.00 0.00 C ATOM 615 O GLN A 42 8.901 -9.317 -4.763 1.00 0.00 O ATOM 616 CB GLN A 42 6.362 -10.815 -6.773 1.00 0.00 C ATOM 617 CG GLN A 42 7.232 -12.054 -7.013 1.00 0.00 C ATOM 618 CD GLN A 42 6.741 -12.833 -8.226 1.00 0.00 C ATOM 619 OE1 GLN A 42 5.705 -13.496 -8.166 1.00 0.00 O ATOM 620 NE2 GLN A 42 7.436 -12.766 -9.342 1.00 0.00 N ATOM 0 H GLN A 42 5.031 -8.995 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 42 7.041 -10.928 -4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.313 -11.105 -6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.454 -10.129 -7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.268 -11.752 -7.164 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.212 -12.694 -6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.292 -12.213 -9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.118 -13.267 -10.172 1.00 0.00 H new ATOM 629 N ASP A 43 8.068 -8.302 -6.586 1.00 0.00 N ATOM 630 CA ASP A 43 9.236 -7.431 -6.783 1.00 0.00 C ATOM 631 C ASP A 43 9.366 -6.348 -5.721 1.00 0.00 C ATOM 632 O ASP A 43 10.412 -5.702 -5.647 1.00 0.00 O ATOM 633 CB ASP A 43 9.227 -6.764 -8.163 1.00 0.00 C ATOM 634 CG ASP A 43 9.555 -7.761 -9.257 1.00 0.00 C ATOM 635 OD1 ASP A 43 10.749 -8.059 -9.461 1.00 0.00 O ATOM 636 OD2 ASP A 43 8.624 -8.286 -9.909 1.00 0.00 O ATOM 0 H ASP A 43 7.311 -8.143 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 43 10.095 -8.097 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.248 -6.324 -8.350 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.951 -5.950 -8.181 1.00 0.00 H new ATOM 641 N ASN A 44 8.332 -6.113 -4.908 1.00 0.00 N ATOM 642 CA ASN A 44 8.383 -5.101 -3.853 1.00 0.00 C ATOM 643 C ASN A 44 8.511 -5.739 -2.473 1.00 0.00 C ATOM 644 O ASN A 44 8.802 -5.022 -1.517 1.00 0.00 O ATOM 645 CB ASN A 44 7.188 -4.149 -3.927 1.00 0.00 C ATOM 646 CG ASN A 44 7.151 -3.416 -5.252 1.00 0.00 C ATOM 647 OD1 ASN A 44 7.784 -2.378 -5.398 1.00 0.00 O ATOM 648 ND2 ASN A 44 6.450 -3.955 -6.235 1.00 0.00 N ATOM 0 H ASN A 44 7.445 -6.614 -4.962 1.00 0.00 H new ATOM 0 HA ASN A 44 9.280 -4.504 -4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.264 -4.711 -3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.243 -3.428 -3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.425 -3.505 -7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.934 -4.821 -6.078 1.00 0.00 H new ATOM 655 N GLY A 45 8.364 -7.063 -2.367 1.00 0.00 N ATOM 656 CA GLY A 45 8.478 -7.781 -1.107 1.00 0.00 C ATOM 657 C GLY A 45 7.271 -7.515 -0.222 1.00 0.00 C ATOM 658 O GLY A 45 6.268 -6.962 -0.676 1.00 0.00 O ATOM 0 H GLY A 45 8.161 -7.666 -3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.565 -8.850 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.388 -7.475 -0.590 1.00 0.00 H new ATOM 662 N GLU A 46 7.339 -7.965 1.030 1.00 0.00 N ATOM 663 CA GLU A 46 6.262 -7.775 1.991 1.00 0.00 C ATOM 664 C GLU A 46 5.979 -6.285 2.190 1.00 0.00 C ATOM 665 O GLU A 46 6.788 -5.407 1.875 1.00 0.00 O ATOM 666 CB GLU A 46 6.606 -8.471 3.316 1.00 0.00 C ATOM 667 CG GLU A 46 6.127 -9.930 3.351 1.00 0.00 C ATOM 668 CD GLU A 46 4.677 -10.060 3.832 1.00 0.00 C ATOM 669 OE1 GLU A 46 3.854 -9.133 3.636 1.00 0.00 O ATOM 670 OE2 GLU A 46 4.363 -11.060 4.517 1.00 0.00 O ATOM 0 H GLU A 46 8.143 -8.470 1.403 1.00 0.00 H new ATOM 0 HA GLU A 46 5.352 -8.231 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.685 -8.442 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.151 -7.922 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.216 -10.362 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.778 -10.507 4.008 1.00 0.00 H new ATOM 677 N TRP A 47 4.802 -5.995 2.731 1.00 0.00 N ATOM 678 CA TRP A 47 4.357 -4.632 2.977 1.00 0.00 C ATOM 679 C TRP A 47 3.745 -4.494 4.356 1.00 0.00 C ATOM 680 O TRP A 47 3.434 -5.478 5.029 1.00 0.00 O ATOM 681 CB TRP A 47 3.381 -4.186 1.871 1.00 0.00 C ATOM 682 CG TRP A 47 2.158 -5.035 1.640 1.00 0.00 C ATOM 683 CD1 TRP A 47 1.966 -5.841 0.572 1.00 0.00 C ATOM 684 CD2 TRP A 47 0.954 -5.181 2.459 1.00 0.00 C ATOM 685 NE1 TRP A 47 0.753 -6.492 0.683 1.00 0.00 N ATOM 686 CE2 TRP A 47 0.100 -6.143 1.844 1.00 0.00 C ATOM 687 CE3 TRP A 47 0.496 -4.615 3.668 1.00 0.00 C ATOM 688 CZ2 TRP A 47 -1.103 -6.560 2.433 1.00 0.00 C ATOM 689 CZ3 TRP A 47 -0.698 -5.041 4.278 1.00 0.00 C ATOM 690 CH2 TRP A 47 -1.488 -6.030 3.673 1.00 0.00 C ATOM 0 H TRP A 47 4.126 -6.705 3.013 1.00 0.00 H new ATOM 0 HA TRP A 47 5.224 -3.972 2.949 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.049 -3.174 2.103 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.936 -4.133 0.934 1.00 0.00 H new ATOM 0 HD1 TRP A 47 2.659 -5.959 -0.248 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.387 -7.148 -0.007 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.077 -3.835 4.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.729 -7.285 1.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.008 -4.605 5.216 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.386 -6.381 4.159 1.00 0.00 H new ATOM 701 N THR A 48 3.606 -3.250 4.784 1.00 0.00 N ATOM 702 CA THR A 48 3.030 -2.843 6.049 1.00 0.00 C ATOM 703 C THR A 48 1.929 -1.842 5.694 1.00 0.00 C ATOM 704 O THR A 48 1.960 -1.265 4.603 1.00 0.00 O ATOM 705 CB THR A 48 4.125 -2.316 6.990 1.00 0.00 C ATOM 706 OG1 THR A 48 4.926 -1.298 6.405 1.00 0.00 O ATOM 707 CG2 THR A 48 5.069 -3.438 7.439 1.00 0.00 C ATOM 0 H THR A 48 3.910 -2.454 4.224 1.00 0.00 H new ATOM 0 HA THR A 48 2.584 -3.662 6.613 1.00 0.00 H new ATOM 0 HB THR A 48 3.583 -1.900 7.839 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.915 -1.393 5.430 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.830 -3.029 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.500 -4.203 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.549 -3.881 6.566 1.00 0.00 H new ATOM 715 N VAL A 49 0.948 -1.636 6.566 1.00 0.00 N ATOM 716 CA VAL A 49 -0.160 -0.729 6.304 1.00 0.00 C ATOM 717 C VAL A 49 -0.428 0.174 7.503 1.00 0.00 C ATOM 718 O VAL A 49 0.097 -0.042 8.597 1.00 0.00 O ATOM 719 CB VAL A 49 -1.381 -1.558 5.835 1.00 0.00 C ATOM 720 CG1 VAL A 49 -1.925 -2.481 6.937 1.00 0.00 C ATOM 721 CG2 VAL A 49 -2.522 -0.693 5.273 1.00 0.00 C ATOM 0 H VAL A 49 0.900 -2.095 7.476 1.00 0.00 H new ATOM 0 HA VAL A 49 0.087 -0.040 5.496 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.999 -2.176 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.780 -3.039 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.146 -3.178 7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.236 -1.882 7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.346 -1.335 4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.869 -0.004 6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.160 -0.126 4.415 1.00 0.00 H new ATOM 731 N ASP A 50 -1.170 1.248 7.258 1.00 0.00 N ATOM 732 CA ASP A 50 -1.606 2.248 8.212 1.00 0.00 C ATOM 733 C ASP A 50 -3.018 2.647 7.818 1.00 0.00 C ATOM 734 O ASP A 50 -3.320 2.714 6.620 1.00 0.00 O ATOM 735 CB ASP A 50 -0.699 3.477 8.251 1.00 0.00 C ATOM 736 CG ASP A 50 -0.368 3.762 9.706 1.00 0.00 C ATOM 737 OD1 ASP A 50 -1.278 4.241 10.420 1.00 0.00 O ATOM 738 OD2 ASP A 50 0.763 3.422 10.120 1.00 0.00 O ATOM 0 H ASP A 50 -1.504 1.453 6.316 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.567 1.824 9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.212 3.298 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.197 4.334 7.797 1.00 0.00 H new ATOM 743 N VAL A 51 -3.881 2.877 8.802 1.00 0.00 N ATOM 744 CA VAL A 51 -5.264 3.272 8.597 1.00 0.00 C ATOM 745 C VAL A 51 -5.401 4.750 8.945 1.00 0.00 C ATOM 746 O VAL A 51 -4.875 5.210 9.964 1.00 0.00 O ATOM 747 CB VAL A 51 -6.196 2.352 9.414 1.00 0.00 C ATOM 748 CG1 VAL A 51 -5.892 2.315 10.919 1.00 0.00 C ATOM 749 CG2 VAL A 51 -7.668 2.716 9.194 1.00 0.00 C ATOM 0 H VAL A 51 -3.629 2.791 9.787 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.563 3.154 7.556 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.999 1.350 9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.594 1.645 11.416 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.875 1.956 11.076 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.991 3.318 11.335 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.299 2.050 9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.838 3.747 9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.915 2.610 8.138 1.00 0.00 H new ATOM 759 N ALA A 52 -6.066 5.516 8.087 1.00 0.00 N ATOM 760 CA ALA A 52 -6.314 6.932 8.271 1.00 0.00 C ATOM 761 C ALA A 52 -7.719 7.228 7.749 1.00 0.00 C ATOM 762 O ALA A 52 -8.320 6.401 7.054 1.00 0.00 O ATOM 763 CB ALA A 52 -5.241 7.748 7.545 1.00 0.00 C ATOM 0 H ALA A 52 -6.458 5.152 7.218 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.261 7.211 9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.434 8.811 7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.260 7.500 7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.265 7.515 6.481 1.00 0.00 H new ATOM 769 N ASP A 53 -8.242 8.410 8.072 1.00 0.00 N ATOM 770 CA ASP A 53 -9.563 8.889 7.664 1.00 0.00 C ATOM 771 C ASP A 53 -10.647 7.821 7.869 1.00 0.00 C ATOM 772 O ASP A 53 -11.503 7.608 7.009 1.00 0.00 O ATOM 773 CB ASP A 53 -9.497 9.436 6.223 1.00 0.00 C ATOM 774 CG ASP A 53 -8.560 10.642 6.107 1.00 0.00 C ATOM 775 OD1 ASP A 53 -8.801 11.639 6.825 1.00 0.00 O ATOM 776 OD2 ASP A 53 -7.562 10.585 5.344 1.00 0.00 O ATOM 0 H ASP A 53 -7.739 9.086 8.647 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.859 9.716 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.157 8.647 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.497 9.722 5.898 1.00 0.00 H new ATOM 781 N GLN A 54 -10.633 7.157 9.028 1.00 0.00 N ATOM 782 CA GLN A 54 -11.554 6.096 9.433 1.00 0.00 C ATOM 783 C GLN A 54 -11.639 4.986 8.373 1.00 0.00 C ATOM 784 O GLN A 54 -12.716 4.460 8.092 1.00 0.00 O ATOM 785 CB GLN A 54 -12.922 6.671 9.851 1.00 0.00 C ATOM 786 CG GLN A 54 -12.865 7.585 11.083 1.00 0.00 C ATOM 787 CD GLN A 54 -12.623 6.809 12.376 1.00 0.00 C ATOM 788 OE1 GLN A 54 -13.552 6.384 13.054 1.00 0.00 O ATOM 789 NE2 GLN A 54 -11.375 6.644 12.786 1.00 0.00 N ATOM 0 H GLN A 54 -9.939 7.358 9.748 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.153 5.613 10.324 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.340 7.231 9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.605 5.846 10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.071 8.320 10.950 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.801 8.138 11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.602 6.997 12.222 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.187 6.163 13.666 1.00 0.00 H new ATOM 798 N GLY A 55 -10.512 4.631 7.758 1.00 0.00 N ATOM 799 CA GLY A 55 -10.427 3.597 6.738 1.00 0.00 C ATOM 800 C GLY A 55 -10.629 4.125 5.326 1.00 0.00 C ATOM 801 O GLY A 55 -10.389 3.374 4.386 1.00 0.00 O ATOM 0 H GLY A 55 -9.613 5.067 7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.452 3.113 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.176 2.832 6.943 1.00 0.00 H new ATOM 805 N TYR A 56 -11.072 5.375 5.136 1.00 0.00 N ATOM 806 CA TYR A 56 -11.243 5.910 3.788 1.00 0.00 C ATOM 807 C TYR A 56 -9.870 6.178 3.148 1.00 0.00 C ATOM 808 O TYR A 56 -9.794 6.355 1.934 1.00 0.00 O ATOM 809 CB TYR A 56 -12.125 7.164 3.779 1.00 0.00 C ATOM 810 CG TYR A 56 -13.554 7.009 4.297 1.00 0.00 C ATOM 811 CD1 TYR A 56 -14.378 5.932 3.905 1.00 0.00 C ATOM 812 CD2 TYR A 56 -14.089 8.004 5.134 1.00 0.00 C ATOM 813 CE1 TYR A 56 -15.722 5.868 4.331 1.00 0.00 C ATOM 814 CE2 TYR A 56 -15.423 7.945 5.567 1.00 0.00 C ATOM 815 CZ TYR A 56 -16.260 6.889 5.151 1.00 0.00 C ATOM 816 OH TYR A 56 -17.550 6.859 5.591 1.00 0.00 O ATOM 0 H TYR A 56 -11.314 6.021 5.887 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.762 5.162 3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.630 7.931 4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.174 7.537 2.756 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.977 5.152 3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.464 8.827 5.449 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -16.343 5.037 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -15.810 8.712 6.222 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.726 7.650 6.142 1.00 0.00 H new ATOM 826 N THR A 57 -8.784 6.167 3.926 1.00 0.00 N ATOM 827 CA THR A 57 -7.432 6.378 3.451 1.00 0.00 C ATOM 828 C THR A 57 -6.585 5.228 3.995 1.00 0.00 C ATOM 829 O THR A 57 -6.541 4.988 5.205 1.00 0.00 O ATOM 830 CB THR A 57 -6.916 7.757 3.883 1.00 0.00 C ATOM 831 OG1 THR A 57 -7.747 8.798 3.404 1.00 0.00 O ATOM 832 CG2 THR A 57 -5.518 8.010 3.320 1.00 0.00 C ATOM 0 H THR A 57 -8.833 6.005 4.932 1.00 0.00 H new ATOM 0 HA THR A 57 -7.384 6.377 2.362 1.00 0.00 H new ATOM 0 HB THR A 57 -6.907 7.754 4.973 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.522 9.634 3.863 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.170 8.993 3.638 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.833 7.246 3.689 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.552 7.972 2.231 1.00 0.00 H new ATOM 840 N LEU A 58 -5.931 4.490 3.100 1.00 0.00 N ATOM 841 CA LEU A 58 -5.066 3.359 3.418 1.00 0.00 C ATOM 842 C LEU A 58 -3.660 3.730 2.975 1.00 0.00 C ATOM 843 O LEU A 58 -3.486 4.346 1.921 1.00 0.00 O ATOM 844 CB LEU A 58 -5.592 2.043 2.818 1.00 0.00 C ATOM 845 CG LEU A 58 -6.893 1.561 3.498 1.00 0.00 C ATOM 846 CD1 LEU A 58 -7.417 0.279 2.842 1.00 0.00 C ATOM 847 CD2 LEU A 58 -6.702 1.282 4.996 1.00 0.00 C ATOM 0 H LEU A 58 -5.992 4.671 2.098 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.054 3.163 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.772 2.180 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.828 1.272 2.915 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.610 2.372 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.333 -0.037 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.624 0.468 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.667 -0.507 2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.645 0.946 5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.947 0.508 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.378 2.194 5.498 1.00 0.00 H new ATOM 859 N ASN A 59 -2.664 3.497 3.831 1.00 0.00 N ATOM 860 CA ASN A 59 -1.269 3.812 3.547 1.00 0.00 C ATOM 861 C ASN A 59 -0.436 2.535 3.576 1.00 0.00 C ATOM 862 O ASN A 59 -0.082 2.083 4.662 1.00 0.00 O ATOM 863 CB ASN A 59 -0.742 4.849 4.548 1.00 0.00 C ATOM 864 CG ASN A 59 -1.405 6.208 4.420 1.00 0.00 C ATOM 865 OD1 ASN A 59 -1.275 6.869 3.397 1.00 0.00 O ATOM 866 ND2 ASN A 59 -2.113 6.665 5.439 1.00 0.00 N ATOM 0 H ASN A 59 -2.808 3.080 4.750 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.192 4.247 2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.893 4.474 5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.333 4.964 4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.560 7.580 5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.212 6.103 6.284 1.00 0.00 H new ATOM 873 N ILE A 60 -0.162 1.922 2.419 1.00 0.00 N ATOM 874 CA ILE A 60 0.619 0.686 2.303 1.00 0.00 C ATOM 875 C ILE A 60 2.052 1.050 1.917 1.00 0.00 C ATOM 876 O ILE A 60 2.273 1.634 0.853 1.00 0.00 O ATOM 877 CB ILE A 60 -0.003 -0.280 1.270 1.00 0.00 C ATOM 878 CG1 ILE A 60 -1.433 -0.703 1.666 1.00 0.00 C ATOM 879 CG2 ILE A 60 0.850 -1.552 1.093 1.00 0.00 C ATOM 880 CD1 ILE A 60 -2.176 -1.358 0.491 1.00 0.00 C ATOM 0 H ILE A 60 -0.484 2.279 1.519 1.00 0.00 H new ATOM 0 HA ILE A 60 0.616 0.167 3.262 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.037 0.270 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.388 -1.400 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.989 0.170 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.380 -2.206 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.847 -1.277 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.927 -2.074 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.179 -1.642 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.244 -0.651 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.633 -2.246 0.166 1.00 0.00 H new ATOM 892 N GLN A 61 3.009 0.687 2.767 1.00 0.00 N ATOM 893 CA GLN A 61 4.430 0.937 2.592 1.00 0.00 C ATOM 894 C GLN A 61 5.122 -0.419 2.430 1.00 0.00 C ATOM 895 O GLN A 61 5.003 -1.283 3.309 1.00 0.00 O ATOM 896 CB GLN A 61 4.952 1.746 3.796 1.00 0.00 C ATOM 897 CG GLN A 61 5.967 2.823 3.404 1.00 0.00 C ATOM 898 CD GLN A 61 7.190 2.247 2.699 1.00 0.00 C ATOM 899 OE1 GLN A 61 7.182 2.034 1.493 1.00 0.00 O ATOM 900 NE2 GLN A 61 8.232 1.948 3.447 1.00 0.00 N ATOM 0 H GLN A 61 2.802 0.189 3.633 1.00 0.00 H new ATOM 0 HA GLN A 61 4.639 1.532 1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.109 2.217 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.413 1.065 4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.485 3.551 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.286 3.359 4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.211 2.136 4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.060 1.528 3.024 1.00 0.00 H new ATOM 909 N PHE A 62 5.739 -0.659 1.273 1.00 0.00 N ATOM 910 CA PHE A 62 6.439 -1.902 0.969 1.00 0.00 C ATOM 911 C PHE A 62 7.822 -1.877 1.618 1.00 0.00 C ATOM 912 O PHE A 62 8.529 -0.873 1.575 1.00 0.00 O ATOM 913 CB PHE A 62 6.517 -2.113 -0.543 1.00 0.00 C ATOM 914 CG PHE A 62 5.209 -2.583 -1.162 1.00 0.00 C ATOM 915 CD1 PHE A 62 4.140 -1.691 -1.377 1.00 0.00 C ATOM 916 CD2 PHE A 62 5.044 -3.937 -1.502 1.00 0.00 C ATOM 917 CE1 PHE A 62 2.942 -2.138 -1.955 1.00 0.00 C ATOM 918 CE2 PHE A 62 3.850 -4.384 -2.094 1.00 0.00 C ATOM 919 CZ PHE A 62 2.799 -3.484 -2.323 1.00 0.00 C ATOM 0 H PHE A 62 5.765 0.017 0.510 1.00 0.00 H new ATOM 0 HA PHE A 62 5.888 -2.747 1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.818 -1.178 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.295 -2.845 -0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.243 -0.654 -1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.841 -4.639 -1.307 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.129 -1.445 -2.117 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.742 -5.422 -2.373 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.883 -3.826 -2.781 1.00 0.00 H new ATOM 929 N ALA A 63 8.210 -2.992 2.236 1.00 0.00 N ATOM 930 CA ALA A 63 9.486 -3.125 2.919 1.00 0.00 C ATOM 931 C ALA A 63 10.653 -3.475 1.990 1.00 0.00 C ATOM 932 O ALA A 63 11.795 -3.190 2.354 1.00 0.00 O ATOM 933 CB ALA A 63 9.342 -4.184 4.012 1.00 0.00 C ATOM 0 H ALA A 63 7.637 -3.835 2.274 1.00 0.00 H new ATOM 0 HA ALA A 63 9.733 -2.152 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.291 -4.298 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.572 -3.875 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.060 -5.136 3.562 1.00 0.00 H new ATOM 939 N GLY A 64 10.408 -4.027 0.804 1.00 0.00 N ATOM 940 CA GLY A 64 11.454 -4.405 -0.138 1.00 0.00 C ATOM 941 C GLY A 64 11.673 -5.909 -0.082 1.00 0.00 C ATOM 942 O GLY A 64 11.330 -6.571 0.902 1.00 0.00 O ATOM 0 H GLY A 64 9.466 -4.226 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.173 -4.106 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.380 -3.883 0.103 1.00 0.00 H new TER 946 GLY A 64